CN118329947B - A method and device for identifying crystal vacancy defect types - Google Patents

Abstract

The invention relates to the technical field of crystal microstructure analysis, and discloses a crystal vacancy defect type identification method and device. The invention can acquire theoretical proportion spectrums of N positron annihilation momentum broadening spectrums which are in one-to-one correspondence with N expected vacancy defect types of a crystal sample, and determine a plurality of public intersection points of the N theoretical proportion spectrums in a preset peak position offset interval; determining peak position characteristic intervals corresponding to M expected vacancy defect types in the peak position offset intervals according to the public intersection points; m is less than or equal to N; determining resolution parameters corresponding to M expected vacancy defect types based on peak position characteristic intervals corresponding to the M expected vacancy defect types and a first experimental proportion spectrum corresponding to the crystal sample; and determining the true vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types. The invention can effectively identify the vacancy defect type in the crystal sample by carrying out data processing on the theoretical proportion spectrum and the experimental proportion spectrum of the crystal sample.

Description

Translated fromChinese

一种晶体空位缺陷类型识别方法及装置A method and device for identifying crystal vacancy defect types

技术领域Technical Field

本发明涉及晶体微结构分析技术领域，尤其涉及一种晶体空位缺陷类型识别方法及装置。The present invention relates to the technical field of crystal microstructure analysis, and in particular to a method and device for identifying crystal vacancy defect types.

背景技术Background Art

晶体材料在核反应堆和太空等应用环境中会受到辐射，可能产生空位缺陷。Crystalline materials are exposed to radiation in application environments such as nuclear reactors and space, which may produce vacancy defects.

相关技术可以对晶体材料进行测试，分析晶体材料中是否存在空位缺陷，对晶体材料进行性能评估和优化。Related technologies can be used to test crystal materials, analyze whether there are vacancy defects in the crystal materials, and evaluate and optimize the performance of crystal materials.

但是，相关技术无法确定晶体材料中的空位缺陷类型。However, related techniques cannot determine the type of vacancy defects in crystalline materials.

发明内容Summary of the invention

本发明提供一种晶体空位缺陷类型识别方法及装置，用以解决相关技术无法确定晶体材料中空位缺陷类型的缺陷，可以通过对晶体样品的理论比例谱和实验比例谱进行数据处理，有效识别晶体样品中的空位缺陷类型。The present invention provides a method and device for identifying the type of vacancy defects in a crystal material, which is used to solve the defect that the related technology cannot determine the type of vacancy defects in a crystal material. The type of vacancy defects in a crystal sample can be effectively identified by performing data processing on the theoretical ratio spectrum and experimental ratio spectrum of the crystal sample.

第一方面，本发明提供一种晶体空位缺陷类型识别方法，所述方法包括：In a first aspect, the present invention provides a method for identifying a type of crystal vacancy defect, the method comprising:

获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，所述理论比例谱中包括峰位偏移量与正电子湮灭强度理论比的对应关系；Obtaining N theoretical ratio spectra corresponding one by one to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include a corresponding relationship between a peak position shift and a theoretical ratio of a positron annihilation intensity;

确定N个所述理论比例谱在预设的峰位偏移量区间中的多个公共交点；Determining a plurality of common intersection points of the N theoretical ratio spectra in a preset peak position offset interval;

根据所述公共交点，在所述峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；Determining peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval according to the common intersection point, wherein M is less than or equal to N;

基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的第一实验比例谱，确定所述M个预期空位缺陷类型对应的分辨参数；Determining resolution parameters corresponding to the M expected vacancy defect types based on peak characteristic intervals corresponding to the M expected vacancy defect types and a first experimental ratio spectrum corresponding to the crystal sample;

根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型。The actual vacancy defect type of the crystal sample is determined based on the resolution parameters corresponding to the M expected vacancy defect types.

可选的，所述根据所述公共交点，在所述峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间，包括：Optionally, determining, in the peak position offset interval, peak position characteristic intervals corresponding to M expected vacancy defect types according to the common intersection point includes:

根据所有所述公共交点对应的峰位偏移量，将所述峰位偏移量区间划分为相应的多个子区间；According to the peak offsets corresponding to all the common intersections, the peak offset interval is divided into a plurality of corresponding sub-intervals;

针对任一所述划分区间，如果第一理论比例谱在所述划分区间中的正电子湮灭强度理论比大于其他所述理论比例谱在所述划分区间中的正电子湮灭强度理论比，则将所述划分区间确定为第一预期空位缺陷类型对应的峰位特征区间，以确定所述M个预期空位缺陷类型对应的峰位特征区间；For any of the divided intervals, if the theoretical ratio of positron annihilation intensity of the first theoretical ratio spectrum in the divided interval is greater than the theoretical ratio of positron annihilation intensity of other theoretical ratio spectra in the divided intervals, the divided interval is determined as the peak position characteristic interval corresponding to the first expected vacancy defect type, so as to determine the peak position characteristic intervals corresponding to the M expected vacancy defect types;

其中，所述第一理论比例谱为N个所述理论比例谱中之一，所述第一预期空位缺陷类型为所述第一理论比例谱对应的所述预期空位缺陷类型。The first theoretical ratio spectrum is one of the N theoretical ratio spectra, and the first expected vacancy defect type is the expected vacancy defect type corresponding to the first theoretical ratio spectrum.

可选的，所述第一实验比例谱中包括峰位偏移量与正电子湮灭强度实验比之间的对应关系；所述基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的第一实验比例谱，确定所述M个预期空位缺陷类型对应的分辨参数，包括：Optionally, the first experimental ratio spectrum includes a correspondence between a peak position shift and a positron annihilation intensity experimental ratio; and determining the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample includes:

计算所述第一实验比例谱分别在每个所述峰位特征区间中的积分值，并分别作为相应预期空位缺陷类型的实验谱积分值，以得到所述M个预期空位缺陷类型的实验谱积分值；Calculating the integral values of the first experimental ratio spectrum in each of the peak characteristic intervals, and using them as the experimental spectrum integral values of the corresponding expected vacancy defect types, to obtain the experimental spectrum integral values of the M expected vacancy defect types;

根据所述M个预期空位缺陷类型的实验谱积分值，确定所述M个预期空位缺陷类型对应的分辨参数。The resolution parameters corresponding to the M expected vacancy defect types are determined according to the experimental spectrum integral values of the M expected vacancy defect types.

可选的，所述M个预期空位缺陷类型中包括第二预期空位缺陷类型；所述根据所述M个预期空位缺陷类型的实验谱积分值，确定所述M个预期空位缺陷类型对应的分辨参数，包括：Optionally, the M expected vacancy defect types include a second expected vacancy defect type; and determining, according to the experimental spectrum integral values of the M expected vacancy defect types, the resolution parameters corresponding to the M expected vacancy defect types include:

计算所述第二预期空位缺陷类型的每个实验谱积分值之和，得到第一和值；以及计算每个所述实验谱积分值之和，得到第二和值；Calculating the sum of each experimental spectrum integral value of the second expected vacancy defect type to obtain a first sum value; and calculating the sum of each experimental spectrum integral value to obtain a second sum value;

计算所述第一和值减去目标积分值得到的差值；Calculate the difference between the first sum and the target integral value;

确定所述差值与所述第二和值的比值，并作为所述第二预期空位缺陷类型对应的分辨参数；Determining a ratio of the difference to the second sum as a resolution parameter corresponding to the second expected vacancy defect type;

其中，当所述第二预期空位缺陷类型对应的所述峰位特征区间中包括目标特征区间时，所述目标积分值包括所有所述实验谱积分值中除所述第二预期空位缺陷类型的实验谱积分值之外的实验谱积分值，所述目标特征区间为端点值最小的所述峰位特征区间；Wherein, when the peak characteristic interval corresponding to the second expected vacancy defect type includes a target characteristic interval, the target integral value includes the experimental spectrum integral values of all the experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type, and the target characteristic interval is the peak characteristic interval with the smallest endpoint value;

当所述第二预期空位缺陷类型对应的所述峰位特征区间中未包括所述目标特征区间时，所述目标积分值包括所有所述实验谱积分值中除所述第二预期空位缺陷类型的实验谱积分值以及所述目标特征区间对应的所述实验谱积分值之外的实验谱积分值。When the target characteristic interval is not included in the peak characteristic interval corresponding to the second expected vacancy defect type, the target integral value includes the experimental spectrum integral values of all the experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type and the experimental spectrum integral value corresponding to the target characteristic interval.

可选的，所述根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型，包括：Optionally, determining the actual vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types includes:

在所述M个预期空位缺陷类型对应的分辨参数中，若目标预期空位缺陷类型对应的分辨参数远大于其他预期空位缺陷类型对应的分辨参数，则将所述目标预期空位缺陷类型中的每个预期空位缺陷类型作为所述晶体样品的真实空位缺陷类型；Among the resolution parameters corresponding to the M expected vacancy defect types, if the resolution parameter corresponding to the target expected vacancy defect type is much greater than the resolution parameters corresponding to other expected vacancy defect types, then each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;

其中，所述目标预期空位缺陷类型包括所述M个预期空位缺陷类型中的至少一个所述预期空位缺陷类型。Wherein, the target expected vacancy defect type includes at least one of the M expected vacancy defect types.

可选的，所述第一实验比例谱为在所述晶体样品的第一深度处进行测试得到，所述M个预期空位缺陷类型对应的分辨参数包括所述M个预期空位缺陷类型在所述第一深度下对应的分辨参数；Optionally, the first experimental ratio spectrum is obtained by testing at a first depth of the crystal sample, and the resolution parameters corresponding to the M expected vacancy defect types include resolution parameters corresponding to the M expected vacancy defect types at the first depth;

在所述确定所述M个预期空位缺陷类型对应的分辨参数之后，所述方法还包括：After determining the resolution parameters corresponding to the M expected vacancy defect types, the method further includes:

基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的P个第二实验比例谱，确定所述M个预期空位缺陷类型对应的P组分辨参数；其中，所述第二实验比例谱为在所述晶体样品的一个第二深度处进行测试得到，所述分辨参数包括所述M个预期空位缺陷在所述晶体样品的一个第二深度下对应的分辨参数，所有所述第二深度、所述第一深度互不相同；Based on the peak characteristic intervals corresponding to the M expected vacancy defect types and the P second experimental ratio spectra corresponding to the crystal sample, determining P groups of resolution parameters corresponding to the M expected vacancy defect types; wherein the second experimental ratio spectrum is obtained by testing at a second depth of the crystal sample, and the resolution parameters include resolution parameters corresponding to the M expected vacancy defects at a second depth of the crystal sample, and all the second depths and the first depths are different from each other;

根据所述M个预期空位缺陷类型在所述第一深度下对应的分辨参数以及所述P组分辨参数，确定所述M个预期空位缺陷类型对应的相对分辨参数。Relative resolution parameters corresponding to the M expected vacancy defect types are determined based on the resolution parameters corresponding to the M expected vacancy defect types at the first depth and the P group of resolution parameters.

可选的，所述M个预期空位缺陷类型中包括第三预期空位缺陷类型；所述根据所述M个预期空位缺陷类型在所述第一深度下对应的分辨参数以及所述P组分辨参数，确定所述M个预期空位缺陷类型对应的相对分辨参数，包括：Optionally, the M expected vacancy defect types include a third expected vacancy defect type; and determining relative resolution parameters corresponding to the M expected vacancy defect types according to the resolution parameters corresponding to the M expected vacancy defect types at the first depth and the P group of resolution parameters, comprises:

从所述第三预期空位缺陷类型在所述第一深度和每个所述第二深度下对应的分辨参数中，确定出与损伤区对应的每个第一分辨参数以及与基体区对应的每个第二分辨参数；其中，所述损伤区为所述晶体样品中深度小于第一预设深度的区域，所述基体区为所述晶体样品中从第二预设深度至第三预设深度的区域，所述第三预设深度大于所述第二预设深度，所述第二预设深度大于所述第一预设深度；Determine, from the resolution parameters corresponding to the third expected vacancy defect type at the first depth and each of the second depths, each first resolution parameter corresponding to the damage area and each second resolution parameter corresponding to the matrix area; wherein the damage area is an area in the crystal sample with a depth less than a first preset depth, and the matrix area is an area in the crystal sample from the second preset depth to a third preset depth, the third preset depth is greater than the second preset depth, and the second preset depth is greater than the first preset depth;

计算所有所述第一分辨参数的第一均值，以及计算所有所述第二分辨参数的第二均值；Calculating a first mean value of all the first resolution parameters, and calculating a second mean value of all the second resolution parameters;

计算所述第一均值与所述第二均值的比值，并作为所述第三预期空位缺陷类型对应的相对分辨参数。A ratio of the first mean value to the second mean value is calculated and used as a relative resolution parameter corresponding to the third expected vacancy defect type.

可选的，所述根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型，包括：Optionally, determining the actual vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types includes:

在所述M个预期空位缺陷类型对应的相对分辨参数中，若目标预期空位缺陷类型对应的相对分辨参数远大于其他预期空位缺陷类型对应的相对分辨参数，则将所述目标预期空位缺陷类型中的每个预期空位缺陷类型作为所述晶体样品的真实空位缺陷类型；Among the relative resolution parameters corresponding to the M expected vacancy defect types, if the relative resolution parameter corresponding to the target expected vacancy defect type is much greater than the relative resolution parameters corresponding to other expected vacancy defect types, then each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;

其中，所述目标预期空位缺陷类型包括所述M个预期空位缺陷类型中的至少一个所述预期空位缺陷类型。Wherein, the target expected vacancy defect type includes at least one of the M expected vacancy defect types.

可选的，当所述目标预期空位缺陷类型包括所述M个预期空位缺陷类型中的多个预期空位缺陷类型时，在所述将所述目标预期空位缺陷类型中的每个预期空位缺陷类型作为所述晶体样品的真实空位缺陷类型之后，所述方法还包括：Optionally, when the target expected vacancy defect type includes multiple expected vacancy defect types among the M expected vacancy defect types, after taking each expected vacancy defect type among the target expected vacancy defect types as a true vacancy defect type of the crystal sample, the method further includes:

根据每个所述真实空位缺陷类型对应的目标分辨参数，确定所述晶体样品中不同所述真实空位缺陷类型之间的空位数占比；其中，所述目标分辨参数为所述分辨参数或相对分辨参数。According to the target resolution parameter corresponding to each of the real vacancy defect types, the vacancy number ratio between the different real vacancy defect types in the crystal sample is determined; wherein the target resolution parameter is the resolution parameter or the relative resolution parameter.

第二方面，本发明提供一种晶体空位缺陷类型识别装置，所述装置包括：In a second aspect, the present invention provides a device for identifying a type of crystal vacancy defect, the device comprising:

获取单元，用于获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，所述理论比例谱中包括峰位偏移量与正电子湮灭强度理论比；An acquisition unit, used to acquire N theoretical ratio spectra corresponding to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include a peak position shift and a theoretical ratio of a positron annihilation intensity;

第一确定单元，用于确定N个所述理论比例谱在预设的峰位偏移量区间中的多个公共交点；A first determining unit is used to determine a plurality of common intersection points of the N theoretical ratio spectra in a preset peak position offset interval;

第二确定单元，用于根据所述公共交点，在所述峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；A second determining unit is used to determine, according to the common intersection, peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval; wherein M is less than or equal to N;

第三确定单元，用于基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的第一实验比例谱，确定所述M个预期空位缺陷类型对应的分辨参数；a third determining unit, configured to determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample;

第四确定单元，用于根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型。The fourth determination unit is used to determine the actual vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types.

本发明提出的晶体空位缺陷类型识别方法及装置，可以获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，理论比例谱中包括峰位偏移量与正电子湮灭强度理论比的对应关系；确定N个理论比例谱在预设的峰位偏移量区间中的多个公共交点；根据公共交点，在峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的第一实验比例谱，确定M个预期空位缺陷类型对应的分辨参数；根据M个预期空位缺陷类型对应的分辨参数，确定晶体样品的真实空位缺陷类型。本发明可以通过对晶体样品的理论比例谱和实验比例谱进行数据处理，有效识别出晶体样品中的空位缺陷类型。The crystal vacancy defect type identification method and device proposed in the present invention can obtain N theoretical proportion spectra corresponding to N expected vacancy defect types of the crystal sample, wherein the theoretical proportion spectra include the corresponding relationship between the peak offset and the theoretical ratio of the positron annihilation intensity; determine multiple common intersections of the N theoretical proportion spectra in a preset peak offset interval; determine the peak characteristic intervals corresponding to the M expected vacancy defect types in the peak offset interval according to the common intersections; wherein M is less than or equal to N; determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak characteristic intervals corresponding to the M expected vacancy defect types and the first experimental proportion spectrum corresponding to the crystal sample; determine the real vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types. The present invention can effectively identify the vacancy defect type in the crystal sample by performing data processing on the theoretical proportion spectrum and the experimental proportion spectrum of the crystal sample.

附图说明BRIEF DESCRIPTION OF THE DRAWINGS

为了更清楚地说明本发明或现有技术中的技术方案，下面将对实施例或现有技术描述中所需要使用的附图作一简单地介绍，显而易见地，下面描述中的附图是本发明的一些实施例，对于本领域普通技术人员来讲，在不付出创造性劳动的前提下，还可以根据这些附图获得其他的附图。In order to more clearly illustrate the technical solutions in the present invention or the prior art, the following briefly introduces the drawings required for use in the embodiments or the description of the prior art. Obviously, the drawings described below are some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative work.

图1为本发明实施例提供的一种晶体空位缺陷类型识别方法的流程图；FIG1 is a flow chart of a method for identifying a crystal vacancy defect type provided by an embodiment of the present invention;

图2为本发明实施例提供的两种预期空位缺陷类型对应的理论比例谱示意图；FIG2 is a schematic diagram of theoretical ratio spectra corresponding to two expected vacancy defect types provided by an embodiment of the present invention;

图3为本发明实施例提供的一种实验损伤谱Exp_dmg与实验无损谱Exp_bulk示意图；FIG3 is a schematic diagram of an experimental damage spectrum Exp_dmg and an experimental lossless spectrum Exp_bulk provided by an embodiment of the present invention;

图4为本发明实施例提供的一种实验比例谱示意图；FIG4 is a schematic diagram of an experimental ratio spectrum provided by an embodiment of the present invention;

图5为本发明实施例提供的V_Si-h、V_Si-k、V_C-h和V_C-k对应的理论比例谱；、FIG5 is a theoretical ratio spectrum corresponding to V_Si-h , V_Si-k , V_Ch and V_Ck provided by an embodiment of the present invention;

图6为本发明实施例提供的一种分辨参数-深度图；FIG6 is a resolution parameter-depth map provided by an embodiment of the present invention;

图7为本发明实施例提供的一种不同深度对应的分辨参数示意图；FIG7 is a schematic diagram of resolution parameters corresponding to different depths provided by an embodiment of the present invention;

图8为本发明实施例提供的不同剂量辐照下的相对分辨参数示意图；FIG8 is a schematic diagram of relative resolution parameters under different irradiation doses provided by an embodiment of the present invention;

图9为本发明实施例提供的一种晶体空位缺陷类型识别装置的结构示意图；FIG9 is a schematic diagram of the structure of a device for identifying a type of crystal vacancy defect provided by an embodiment of the present invention;

图10为本发明实施例提供的一种计算机设备的结构示意图。FIG. 10 is a schematic diagram of the structure of a computer device provided in an embodiment of the present invention.

具体实施方式DETAILED DESCRIPTION

为使本发明的目的、技术方案和优点更加清楚，下面将结合本发明中的附图，对本发明中的技术方案进行清楚、完整地描述，显然，所描述的实施例是本发明一部分实施例，而不是全部的实施例。基于本发明中的实施例，本领域普通技术人员在没有作出创造性劳动前提下所获得的所有其他实施例，都属于本发明保护的范围。In order to make the purpose, technical solution and advantages of the present invention clearer, the technical solution of the present invention will be clearly and completely described below in conjunction with the drawings of the present invention. Obviously, the described embodiments are part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

下面结合图1-图8描述本发明的晶体空位缺陷类型识别方法。The crystal vacancy defect type identification method of the present invention is described below in conjunction with FIG. 1 to FIG. 8 .

如图1所示，本实施例提出第一种晶体空位缺陷类型识别方法，该方法可以包括以下步骤：As shown in FIG1 , this embodiment proposes a first method for identifying a type of crystal vacancy defect, which may include the following steps:

S101、获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，理论比例谱中包括峰位偏移量与正电子湮灭强度理论比之间的对应关系。S101. Obtain N theoretical ratio spectra corresponding one to one to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include a correspondence between peak position shifts and theoretical ratios of positron annihilation intensities.

其中，晶体样品可以为待测晶体的样品。需要说明的是，待测晶体可以为某个受损晶体，比如受到辐射、需要确定其空位缺陷类型的晶体。The crystal sample may be a sample of a crystal to be tested. It should be noted that the crystal to be tested may be a damaged crystal, such as a crystal that has been irradiated and whose vacancy defect type needs to be determined.

其中，N为大于等于1的正整数。Wherein, N is a positive integer greater than or equal to 1.

其中，预期空位缺陷类型可以为根据经验初步预测晶体样品中可能存在的空位缺陷类型。预期空位缺陷类型可以由技术人员根据经验确定和设置。可以理解的是，晶体样品的预期空位缺陷类型与晶体材料类型、应用场景相关。晶体样品的晶体材料类型不同，其预期空位缺陷类型可能不同。晶体样品的晶体材料类型相同而应用场景不同，其预期空位缺陷类型也可能不同。Among them, the expected vacancy defect type can be a vacancy defect type that may exist in the crystal sample preliminarily predicted based on experience. The expected vacancy defect type can be determined and set by a technician based on experience. It is understandable that the expected vacancy defect type of the crystal sample is related to the crystal material type and the application scenario. The expected vacancy defect type of the crystal sample may be different if the crystal material type of the crystal sample is different. If the crystal material type of the crystal sample is the same but the application scenario is different, the expected vacancy defect type may also be different.

需要说明的是，本实施例可以针对晶体样品进行理论计算以得到相应的正电子湮灭动量展宽谱，之后根据该正电子湮灭动量展宽谱生成理论比例谱。其中，该正电子湮灭动量展宽谱中的横轴可以为正电子的动量(也可以为散射角或者能量)，纵轴可以为正电子湮灭强度，比如用于表征该强度的正电子湮灭事件的数量或频率。It should be noted that, in this embodiment, theoretical calculations can be performed on the crystal sample to obtain the corresponding positron annihilation momentum broadening spectrum, and then a theoretical ratio spectrum is generated according to the positron annihilation momentum broadening spectrum. Wherein, the horizontal axis in the positron annihilation momentum broadening spectrum can be the momentum of the positron (or the scattering angle or energy), and the vertical axis can be the positron annihilation intensity, such as the number or frequency of positron annihilation events used to characterize the intensity.

具体的，本实施例在生成与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱的过程中，可以先行通过理论计算出正电子在与晶体样品的晶体材料类型相同、不包含空位的完整晶体结构中湮灭时产生的正电子湮灭动量展宽谱即理论无损谱，以及通过理论计算出正电子分别在N种预期空位缺陷类型对应的晶体材料(与晶体样品的晶体材料类型相同、且包含有相应预期空位缺陷类型的晶体材料)中湮灭时产生的正电子湮灭动量展宽谱即理论空位谱。其中，理论无损谱和理论空位谱均为在某种理论框架中进行理论计算得到，该理论框架可以为电子-正电子密度泛函理论框架，例如Puska-Seitsonen-Nieminen参数化的Boronski-Nieminen修正泛函形式方式。Specifically, in the process of generating N theoretical ratio spectra corresponding to N expected vacancy defect types of the crystal sample, the present embodiment can first theoretically calculate the positron annihilation momentum broadening spectrum generated when the positron is annihilated in a complete crystal structure that is the same as the crystal material type of the crystal sample and does not contain vacancies, that is, the theoretical lossless spectrum, and theoretically calculate the positron annihilation momentum broadening spectrum generated when the positron is annihilated in the crystal materials corresponding to the N expected vacancy defect types (the crystal materials that are the same as the crystal material type of the crystal sample and contain the corresponding expected vacancy defect types), that is, the theoretical vacancy spectrum. Among them, the theoretical lossless spectrum and the theoretical vacancy spectrum are both obtained by theoretical calculation in a certain theoretical framework, and the theoretical framework can be an electron-positron density functional theory framework, such as the Puska-Seitsonen-Nieminen parameterized Boronski-Nieminen modified functional formalism.

需要说明的是，理论空位谱和理论无损谱均可以为关于峰位动量对称的曲线，本实施例可以仅取理论空位谱和理论无损谱的峰位右侧部分曲线，并以相对峰位的偏移量ΔE为横轴对理论空位谱和理论无损谱进行曲线转换，得到转换后的N种理论空位谱T₁、T₂、…T_N和理论无损谱T_bulk，对转换后的理论空位谱T₁、T₂、…T_N和理论无损谱T_bulk中相同偏移量ΔE上的纵轴值取比值而得到正电子湮灭强度理论比，得到相应的理论比例谱T_ri＝T_i/T_bulk。其中，对于第i种预期空位缺陷类型x_i得到对应的理论比例谱为T_ri＝T_i/T_bulk，总计得到N个不同的理论比例谱T_r1、T_r2、…T_rN，它们与N个预期空位缺陷类型一一对应。比如图2所示的分别与两种预期空位缺陷类型对应的T_r1和T_r2的理论比例谱，图2中的横轴ΔE即为相对峰位的偏移量，纵轴为理论空位谱与理论无损谱T_bulk的正电子湮灭强度比即正电子湮灭强度理论比。It should be noted that both the theoretical vacancy spectrum and the theoretical lossless spectrum can be curves symmetrical about the peak position momentum. In this embodiment, only the right part of the peak position of the theoretical vacancy spectrum and the theoretical lossless spectrum can be taken, and the theoretical vacancy spectrum and the theoretical lossless spectrum can be curve-converted with the offset ΔE relative to the peak position as the horizontal axis to obtain N theoretical vacancy spectra T₁ , T₂ , ..._TN and theoretical lossless spectrum T_bulk after conversion. The ordinate values at the same offset ΔE in the converted theoretical vacancy spectra T₁ , T₂ , ..._TN and the theoretical lossless spectrum T_bulk are ratioed to obtain the theoretical ratio of positron annihilation intensity, and the corresponding theoretical ratio spectrum_Tri =_Ti / T_bulk is obtained. For the i-th expected vacancy defect type x_i, the corresponding theoretical ratio spectrum is_Tri =_Ti / T_bulk , and a total of N different theoretical ratio spectra_Tri ,_Tri , ..._TN are obtained, which correspond to the N expected vacancy defect types one by one. For example, Figure 2 shows the theoretical ratio spectra of T_r1 and T_r2 corresponding to the two expected vacancy defect types, respectively. The horizontal axis ΔE in Figure 2 is the relative peak position offset, and the vertical axis is the positron annihilation intensity ratio of the theoretical vacancy spectrum to the theoretical lossless spectrum T_bulk, that is, the theoretical ratio of positron annihilation intensity.

S102、确定N个理论比例谱在预设的峰位偏移量区间中的多个公共交点。S102: Determine a plurality of common intersection points of N theoretical ratio spectra in a preset peak position offset interval.

其中，峰位偏移量区间可以为横轴上预设的某个区间。具体的，峰位偏移量区间可以为横轴上ΔE小于某个预设阈值(比如10keV)的峰区。The peak offset interval may be a preset interval on the horizontal axis. Specifically, the peak offset interval may be a peak region on the horizontal axis where ΔE is less than a preset threshold (eg, 10 keV).

具体的，本实施例可以将N个理论比例谱绘制到同一张以偏离511keV峰位的量ΔE为横轴的谱图上，将ΔE<10keV范围称为峰区，确定N个理论比例谱在峰区中的所有公共交点。如图2所示，当N为2时，2个理论比例谱在峰区中存在2个公共交点。Specifically, in this embodiment, N theoretical ratio spectra can be plotted on the same spectrum with the deviation from the 511keV peak position ΔE as the horizontal axis, and the range of ΔE<10keV is called the peak region, and all common intersections of the N theoretical ratio spectra in the peak region are determined. As shown in FIG2 , when N is 2, two theoretical ratio spectra have two common intersections in the peak region.

S103、根据公共交点，在峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N。S103. Determine peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval according to the common intersection point; wherein M is less than or equal to N.

可选的，根据所有公共交点对应的峰位偏移量，将峰位偏移量区间划分为相应的多个子区间；Optionally, the peak position offset interval is divided into a corresponding plurality of sub-intervals according to the peak position offsets corresponding to all common intersection points;

针对任一划分区间，如果第一理论比例谱在划分区间中的正电子湮灭强度大于其他理论比例谱在划分区间中的正电子湮灭强度，则将划分区间确定为第一预期空位缺陷类型对应的峰位特征区间，以确定M个预期空位缺陷类型对应的峰位特征区间。For any partition interval, if the positron annihilation intensity of the first theoretical ratio spectrum in the partition interval is greater than the positron annihilation intensity of other theoretical ratio spectra in the partition interval, the partition interval is determined as the peak characteristic interval corresponding to the first expected vacancy defect type to determine the peak characteristic intervals corresponding to M expected vacancy defect types.

其中，第一理论比例谱为N个理论比例谱中之一，第一预期空位缺陷类型为第一理论比例谱对应的预期空位缺陷类型。The first theoretical ratio spectrum is one of the N theoretical ratio spectra, and the first expected vacancy defect type is the expected vacancy defect type corresponding to the first theoretical ratio spectrum.

具体的，如果某个划分区间内，多个理论比例谱交错，彼此之间的大小关系不固定，则不能将该划分区间确定为峰位特征区间。Specifically, if a plurality of theoretical ratio spectra are interlaced within a certain division interval and the magnitude relationship between them is not fixed, the division interval cannot be determined as a peak position characteristic interval.

具体的，本实施例可以分别以每个公共交点为分界线，将峰位偏移量区间划分为若干个区间即峰位特征区间。如图2所示，本实施例共划分出S1、S2、S3三个峰位特征区间。Specifically, in this embodiment, each common intersection point can be used as a dividing line to divide the peak offset interval into several intervals, namely, peak characteristic intervals. As shown in FIG2 , in this embodiment, three peak characteristic intervals S1, S2, and S3 are divided.

需要说明的是，上述M个预期空位缺陷类型中的一个预期空位缺陷类型，可以对应一个或多个峰位特征区间。比如，如图2所示，其中一个预期空位缺陷类型对应峰位特征区间S1和S3，另一个预期空位缺陷类型对应峰位特征区间S2。It should be noted that one of the above-mentioned M expected vacancy defect types may correspond to one or more peak characteristic intervals. For example, as shown in FIG2 , one of the expected vacancy defect types corresponds to the peak characteristic intervals S1 and S3, and the other expected vacancy defect type corresponds to the peak characteristic interval S2.

S104、基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的第一实验比例谱，确定M个预期空位缺陷类型对应的分辨参数。S104. Determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample.

其中，第一实验比例谱可以为晶体样品对应的一个实验比例谱。需要说明的是，本实施例可以使用慢正电子束分别在晶体样品(受损晶体)与相应的无损晶体中测定得到相应的正电子湮灭动量展宽谱，即实验损伤谱和实验无损谱，如图3所示的实验损伤谱Exp_dmg与实验无损谱Exp_bulk。之后，基于上述理论谱转换方式对实验损伤谱Exp_dmg与实验无损谱Exp_bulk进行转换和取比值，得到如图4所示实验比例谱Exp_r＝Exp_dmg/Exp_bulk。Among them, the first experimental proportional spectrum can be an experimental proportional spectrum corresponding to the crystal sample. It should be noted that, in this embodiment, a slow positron beam can be used to measure the corresponding positron annihilation momentum broadening spectrum in the crystal sample (damaged crystal) and the corresponding intact crystal, that is, the experimental damage spectrum and the experimental lossless spectrum, as shown in FIG3 , The experimental damage spectrum Exp_dmg and the experimental lossless spectrum Exp_bulk . Afterwards, based on the above-mentioned theoretical spectrum conversion method, the experimental damage spectrum Exp_dmg and the experimental lossless spectrum Exp_bulk are converted and ratioed to obtain the experimental proportional spectrum Exp_r = Exp_dmg / Exp_bulk as shown in FIG4 .

具体的，M个预期空位缺陷类型对应的分辨参数即包括每个预期空位缺陷类型对应的分辨参数。Specifically, the resolution parameters corresponding to the M expected vacancy defect types include the resolution parameters corresponding to each expected vacancy defect type.

可选的，第一实验比例谱中包括峰位偏移量与正电子湮灭强度实验比之间的对应关系。步骤S104可以包括：Optionally, the first experimental ratio spectrum includes a corresponding relationship between the peak position shift and the positron annihilation intensity experimental ratio. Step S104 may include:

计算第一实验比例谱分别在每个峰位特征区间中的积分值，并分别作为相应预期空位缺陷类型的实验谱积分值，以得到M个预期空位缺陷类型的实验谱积分值；Calculate the integral value of the first experimental ratio spectrum in each peak characteristic interval, and use them as the experimental spectrum integral value of the corresponding expected vacancy defect type, so as to obtain the experimental spectrum integral values of M expected vacancy defect types;

根据M个预期空位缺陷类型的实验谱积分值，确定M个预期空位缺陷类型对应的分辨参数。According to the experimental spectrum integral values of the M expected vacancy defect types, the resolution parameters corresponding to the M expected vacancy defect types are determined.

具体的，正电子湮灭强度实验比即为实验损伤谱Exp_dmg与实验无损谱Exp_bulk中正电子湮灭强度之比。Specifically, the experimental ratio of positron annihilation intensity is the ratio of the positron annihilation intensity in the experimental damage spectrum Exp_dmg to the experimental lossless spectrum Exp_bulk .

具体的，本实施例可以记录每个峰位特征区间左右端点的ΔE值，并用于在第一实验比例谱中划分出相同的峰位特征区间，并统计第一实验比例谱在每个峰位特征区间内的积分值。Specifically, this embodiment can record the ΔE values of the left and right endpoints of each peak characteristic interval, and use them to divide the same peak characteristic interval in the first experimental ratio spectrum, and count the integral value of the first experimental ratio spectrum in each peak characteristic interval.

具体的，对于峰位特征区间A，本实施例可以计算第一实验比例谱在峰位特征区间A中的积分值，将该积分值作为与峰位特征区间A对应的预期空位缺陷类型的实验谱积分值。Specifically, for the peak characteristic interval A, this embodiment can calculate the integral value of the first experimental ratio spectrum in the peak characteristic interval A, and use the integral value as the experimental spectrum integral value of the expected vacancy defect type corresponding to the peak characteristic interval A.

需要说明的是，如果一个预期空位缺陷类型对应多个峰位特征区间，则该预期空位缺陷类型的实验谱积分值为多个，具体包括第一实验比例谱分别在该多个峰位特征区间中的积分值。如图2所示，其中一个预期空位缺陷类型对应峰位特征区间S1和S3，该预期空位缺陷类型的实验谱积分值包括第一实验比例谱分别在峰位特征区间S1和S3中的积分值。It should be noted that if an expected vacancy defect type corresponds to multiple peak characteristic intervals, the experimental spectrum integral value of the expected vacancy defect type is multiple, specifically including the integral values of the first experimental ratio spectrum in the multiple peak characteristic intervals. As shown in Figure 2, one of the expected vacancy defect types corresponds to peak characteristic intervals S1 and S3, and the experimental spectrum integral value of the expected vacancy defect type includes the integral values of the first experimental ratio spectrum in the peak characteristic intervals S1 and S3.

可选的，上述M个预期空位缺陷类型中包括第二预期空位缺陷类型；上述根据M个预期空位缺陷类型的实验谱积分值，确定M个预期空位缺陷类型对应的分辨参数，包括：Optionally, the M expected vacancy defect types include a second expected vacancy defect type; and determining the resolution parameters corresponding to the M expected vacancy defect types according to the experimental spectrum integral values of the M expected vacancy defect types includes:

计算第二预期空位缺陷类型的每个实验谱积分值之和，得到第一和值；以及计算每个实验谱积分值之和，得到第二和值；Calculating the sum of each experimental spectrum integral value of the second expected vacancy defect type to obtain a first sum value; and calculating the sum of each experimental spectrum integral value to obtain a second sum value;

计算第一和值减去目标积分值得到的差值；Calculate the difference between the first sum and the target integral value;

确定差值与第二和值的比值，并作为第二预期空位缺陷类型对应的分辨参数；Determine a ratio of the difference value to the second sum value and use it as a discrimination parameter corresponding to the second expected vacancy defect type;

其中，当第二预期空位缺陷类型对应的峰位特征区间中包括目标特征区间时，目标积分值包括所有实验谱积分值中除第二预期空位缺陷类型的实验谱积分值之外的实验谱积分值，目标特征区间为端点值最小的峰位特征区间；Wherein, when the peak characteristic interval corresponding to the second expected vacancy defect type includes the target characteristic interval, the target integral value includes the experimental spectrum integral value of all experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type, and the target characteristic interval is the peak characteristic interval with the smallest endpoint value;

当第二预期空位缺陷类型对应的峰位特征区间中未包括目标特征区间时，目标积分值包括所有实验谱积分值中除第二预期空位缺陷类型的实验谱积分值以及目标特征区间对应的实验谱积分值之外的实验谱积分值。When the target characteristic interval is not included in the peak characteristic interval corresponding to the second expected vacancy defect type, the target integral value includes the experimental spectrum integral values of all experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type and the experimental spectrum integral value corresponding to the target characteristic interval.

具体的，本实施例可以将第二预期空位缺陷类型的每个实验谱积分值之和确定为第一和值，之后将第一实验比例谱在每个峰位特征区间中的积分值即每个实验谱积分值进行求和，得到第二和值。Specifically, this embodiment can determine the sum of the integral values of each experimental spectrum of the second expected vacancy defect type as the first sum value, and then sum the integral value of the first experimental ratio spectrum in each peak characteristic interval, that is, the integral value of each experimental spectrum, to obtain the second sum value.

需要说明的是，第i种预期空位缺陷类型x_i的分辨参数为x_i对应的所有实验谱积分值之和，减去未与x_i对应的实验谱积分值，再除以整个峰区(ΔE<10keV)范围内的实验谱积分值。其中，若ΔE最小的一个峰位特征区间为x_i对应的峰位特征区间，则仅在计算x_i对应的分辨参数时才将该峰位特征区间纳入考虑。其中，不考虑ΔE最小的峰位特征区间，是由于其最为靠近峰位，大部分湮灭事件均位于该区间内，当一个预期空位缺陷类型对应谱线在该区间内占优时，将该区间中的实验谱积分用于计算其它预期空位缺陷类型的分辨参数会导致其它预期空位缺陷类型对应谱线在更高ΔE区间内的特征被淹没。It should be noted that the resolution parameter of the i-th expected vacancy defect type x_i is the sum of all experimental spectrum integral values corresponding to x_i , minus the experimental spectrum integral value not corresponding to x_i , and then divided by the experimental spectrum integral value within the entire peak area (ΔE<10keV). Among them, if the peak characteristic interval with the smallest ΔE is the peak characteristic interval corresponding to x_i , then this peak characteristic interval is only taken into consideration when calculating the resolution parameter corresponding to x_i . Among them, the peak characteristic interval with the smallest ΔE is not considered because it is closest to the peak position and most annihilation events are located in this interval. When the spectral line corresponding to an expected vacancy defect type dominates in this interval, the experimental spectrum integral in this interval is used to calculate the resolution parameters of other expected vacancy defect types, which will cause the characteristics of the spectral lines corresponding to other expected vacancy defect types in higher ΔE intervals to be submerged.

比如，如图2所示，x₁和x₂对应的分辨参数P₁和P₂分别为：For example, as shown in Figure 2, the resolution parameters_P1 and_P2 corresponding to_x1 and_x2 are:

其中，s₁、s₂、s₃分别为第一实验比例谱在S1、S2、S3峰位特征区间中的积分值。峰区实验谱积分为第一实验比例谱在整个峰区中的积分值。Wherein, s₁ , s₂ , s₃ are the integral values of the first experimental ratio spectrum in the peak position characteristic intervals of S1 , S2 , S3 , respectively. The peak region experimental spectrum integral is the integral value of the first experimental ratio spectrum in the entire peak region.

具体的，本实施例对于上述M个预期空位缺陷类型中的每个预期空位缺陷类型，均可以作为第二预期空位缺陷类型执行相关步骤，确定其对应的分辨参数。Specifically, in this embodiment, for each of the M expected vacancy defect types, relevant steps may be performed as the second expected vacancy defect type to determine its corresponding resolution parameter.

S105、根据M个预期空位缺陷类型对应的分辨参数，确定晶体样品的真实空位缺陷类型。S105. Determine the actual vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types.

其中，真实空位缺陷类型即为晶体样品中的实际空位缺陷类型。Among them, the real vacancy defect type is the actual vacancy defect type in the crystal sample.

可选的，步骤S105可以包括：Optionally, step S105 may include:

在M个预期空位缺陷类型对应的分辨参数中，若目标预期空位缺陷类型对应的分辨参数远大于其他预期空位缺陷类型对应的分辨参数，则将目标预期空位缺陷类型中的每个预期空位缺陷类型作为晶体样品的真实空位缺陷类型；Among the resolution parameters corresponding to the M expected vacancy defect types, if the resolution parameter corresponding to the target expected vacancy defect type is much greater than the resolution parameters corresponding to other expected vacancy defect types, each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;

其中，目标预期空位缺陷类型包括M个预期空位缺陷类型中的至少一个预期空位缺陷类型。Among them, the target expected vacancy defect type includes at least one expected vacancy defect type among M expected vacancy defect types.

具体的，若有P_i远大于其它P值，则可以确定晶体样品中实际包括x_i即第i个预期空位缺陷类型。若有P_i大于P_j，且二者远大于其它P值，则可以确定晶体样品中存在x_i与x_j两种预期空位缺陷类型，且可判定x_i空位数量多于x_j空位数量。Specifically, if_Pi is much larger than other P values, it can be determined that the crystal sample actually includes xi_, i.e., the i-th expected vacancy defect type. If_Pi is greater than_Pj , and both are much larger than other P values, it can be determined that the crystal sample contains two expected vacancy defect types,_xi and_xj , and it can be determined that the number of_xi vacancies is greater than the number of_xj vacancies.

需要说明的是，本实施例在分析各分辨参数时，由于这些分辨参数均来自实验测定的正电子湮灭动量展宽谱，其峰位附近的湮灭事件数通常是峰位之外湮灭事件数的1000倍以上，若两个对应不同预期空位缺陷类型x_a与x_b的分辨参数有P_xa>1000P_xb，则可认为x_b空位对应特征与实验误差处于同一量级，应将之忽略。It should be noted that, when analyzing the various resolution parameters in this embodiment, since these resolution parameters are all derived from the experimentally measured positron annihilation momentum broadening spectrum, the number of annihilation events near the peak is usually more than 1000 times the number of annihilation events outside the peak. If the resolution parameters corresponding to two different expected vacancy defect types_xa and_xb have_Pxa >_1000Pxb , it can be considered that the corresponding characteristics of the_xb vacancy are at the same order of magnitude as the experimental error and should be ignored.

可选的，本实施例在根据M个预期空位缺陷类型对应的分辨参数，确定晶体样品的真实空位缺陷类型时，如果某个预期空位缺陷类型对应的分辨参数大于预设的分辨参数阈值，本实施例也可以将该预期空位缺陷类型确定为晶体样品的真实空位缺陷类型。Optionally, when this embodiment determines the true vacancy defect type of the crystal sample based on the resolution parameters corresponding to M expected vacancy defect types, if the resolution parameter corresponding to a certain expected vacancy defect type is greater than a preset resolution parameter threshold, this embodiment may also determine the expected vacancy defect type as the true vacancy defect type of the crystal sample.

具体的，本实施例对于具体测量技术的宽容度高，作为一种基于统计特征的分析方式，既可使用慢正电子或常规正电子源测量动量展宽谱，也可使用非符合技术来快速测试大量样品或数据点。且，本实施例流程标准化程度高，可重复性强，可以拓宽正电子湮灭谱学技术的应用范围，提高缺陷分析的灵敏度。Specifically, this embodiment has a high tolerance for specific measurement techniques. As an analysis method based on statistical characteristics, it can use slow positrons or conventional positron sources to measure momentum broadening spectra, and can also use non-coincidence technology to quickly test a large number of samples or data points. In addition, the process of this embodiment has a high degree of standardization and strong repeatability, which can broaden the application scope of positron annihilation spectroscopy technology and improve the sensitivity of defect analysis.

还需要说明的是，本实施例可以用于核设施和太空设施中结构与功能相关的晶体材料所受辐照损伤的快速检测评估。具体的，本实施例可以基于正电子湮灭动量展宽谱分辨晶体样品中的空位缺陷类型，可应用于加速器驱动次临界反应堆系统中散裂靶靶窗等结构材料空位型缺陷损伤的检测，对因空位型缺陷积累导致的靶窗材料性能劣化与失效等情形提供精确评估和预警。还可应用于传统核裂变反应堆中的各种结构材料的损伤检测，包括燃料包壳和燃料组件等材料的空位损伤检测，对因空位团簇导致的局部应力积累与结构材料疲劳失效等情形提供精确评估和预警。还可以应用于聚变反应堆的第一壁材料与结构材料受中子、质子与γ射线等多种辐射复合影响时，对其中的空位缺陷进行精确检测和损伤评估。还可以应用于太空辐射环境下的光伏电池晶体、半导体探测器等材料中的空位型缺陷损伤的快速检测与具体损伤类型分辨。It should also be noted that this embodiment can be used for rapid detection and evaluation of radiation damage to crystal materials related to structure and function in nuclear facilities and space facilities. Specifically, this embodiment can distinguish the types of vacancy defects in crystal samples based on the positron annihilation momentum broadening spectrum, and can be applied to the detection of vacancy-type defect damage in structural materials such as spallation target windows in accelerator-driven subcritical reactor systems, and provide accurate evaluation and early warning for situations such as degradation and failure of target window materials due to accumulation of vacancy-type defects. It can also be applied to damage detection of various structural materials in traditional nuclear fission reactors, including vacancy damage detection of materials such as fuel cladding and fuel assemblies, and provide accurate evaluation and early warning for situations such as local stress accumulation and fatigue failure of structural materials due to vacancy clusters. It can also be applied to the first wall material and structural material of the fusion reactor when they are affected by multiple radiation combinations such as neutrons, protons and gamma rays, to accurately detect and evaluate the damage of vacancy defects therein. It can also be applied to the rapid detection of vacancy-type defect damage and the resolution of specific damage types in materials such as photovoltaic cell crystals and semiconductor detectors under space radiation environments.

本实施例提出的晶体空位缺陷类型识别方法，可以获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，理论比例谱中包括峰位偏移量与正电子湮灭强度理论比；确定N个理论比例谱在预设的峰位偏移量区间中的多个公共交点；根据公共交点，在峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的第一实验比例谱，确定M个预期空位缺陷类型对应的分辨参数；根据M个预期空位缺陷类型对应的分辨参数，确定晶体样品的真实空位缺陷类型。本实施例可以通过对晶体样品的理论比例谱和实验比例谱进行数据处理，有效识别出晶体样品中的空位缺陷类型。The crystal vacancy defect type identification method proposed in this embodiment can obtain N theoretical ratio spectra corresponding to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include the peak offset and the theoretical ratio of the positron annihilation intensity; determine multiple common intersections of the N theoretical ratio spectra in a preset peak offset interval; determine the peak characteristic intervals corresponding to the M expected vacancy defect types in the peak offset interval based on the common intersections; wherein M is less than or equal to N; determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample; determine the real vacancy defect type of the crystal sample based on the resolution parameters corresponding to the M expected vacancy defect types. This embodiment can effectively identify the vacancy defect type in the crystal sample by performing data processing on the theoretical ratio spectrum and the experimental ratio spectrum of the crystal sample.

基于图1，本实施例提出第二种晶体空位缺陷类型识别方法，该方法当目标预期空位缺陷类型包括M个预期空位缺陷类型中的多个预期空位缺陷类型时，该方法在上述步骤S105之后，还包括步骤S201。Based on FIG. 1 , this embodiment proposes a second method for identifying crystal vacancy defect types. When the target expected vacancy defect type includes multiple expected vacancy defect types among M expected vacancy defect types, the method further includes step S201 after the above step S105.

S201、根据每个真实空位缺陷类型对应的目标分辨参数，确定晶体样品中不同真实空位缺陷类型之间的空位数占比；其中，目标分辨参数为分辨参数。S201. Determine the vacancy number ratio between different real vacancy defect types in the crystal sample according to the target resolution parameter corresponding to each real vacancy defect type; wherein the target resolution parameter is a resolution parameter.

具体的，本实施例在确定晶体样品中存在上述x_i与x_j两种预期空位缺陷类型，且可判定x_i空位数量多于x_j空位数量之后，还可以确定该两种预期空位缺陷类型的空位数占比。Specifically, after determining that the two expected vacancy defect types x_i and x_j mentioned above exist in the crystal sample and determining that the number of x_i vacancies is greater than the number of x_j vacancies, this embodiment can also determine the vacancy number ratio of the two expected vacancy defect types.

具体的，x_i的空位数占比为x_j的空位数占比为其中，c_i、c_j为比例系数，与材料特性相关。Specifically, the proportion of vacancies in x_i is The proportion of vacancies in x_j is Among them, c_i and c_j are proportional coefficients, which are related to the material properties.

本实施例提出的晶体空位缺陷类型识别方法，可以在识别晶体样品中空位缺陷类型的情况下，确定空位缺陷类型对应的空位数占比，进一步掌握晶体结构情况，对晶体材料的辐照损伤作出精确评估，增强对晶体材料的性能评估和优化。The method for identifying the type of crystal vacancy defects proposed in this embodiment can determine the number of vacancies corresponding to the vacancy defect type when identifying the type of vacancy defect in the crystal sample, further understand the crystal structure, make an accurate assessment of the radiation damage of the crystal material, and enhance the performance evaluation and optimization of the crystal material.

经本发明的发明人研究发现，本实施例针对晶体样品执行的上述步骤，可以描述实验谱测定位置附近区域的真实空位缺陷类型。因此，当晶体样品中空位缺陷分布均匀(如晶体样品受高能中子辐照产生损伤所致的空位缺陷)时，本实施例执行上述步骤可以有效识别晶体样品中整体区域内的真实空位缺陷类型。The inventors of the present invention have found that the above steps performed by this embodiment on the crystal sample can describe the real vacancy defect type in the area near the experimental spectrum measurement position. Therefore, when the vacancy defects in the crystal sample are uniformly distributed (such as vacancy defects caused by damage to the crystal sample by high-energy neutron irradiation), the above steps performed by this embodiment can effectively identify the real vacancy defect type in the entire area of the crystal sample.

为进一步增强对空位缺陷分布不均匀的晶体样品中整体区域的真实空位缺陷类型的有效识别，本实施例可以在上述分辨参数的基础上构造相对分辨参数，基于相对分辨参数来识别晶体样品的真实空位缺陷类型。To further enhance the effective identification of the true vacancy defect type of the entire region in a crystal sample with uneven vacancy defect distribution, this embodiment may construct a relative resolution parameter based on the above-mentioned resolution parameters, and identify the true vacancy defect type of the crystal sample based on the relative resolution parameter.

本实施例提出第三种晶体空位缺陷类型识别方法。该方法可以包括以下步骤：This embodiment proposes a third method for identifying the type of crystal vacancy defects. The method may include the following steps:

S301、获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱。S301, obtaining N theoretical ratio spectra corresponding one-to-one to N expected vacancy defect types of the crystal sample.

需要说明的是，本实施例可以使用1×10¹⁶cm^-2剂量、3×10¹²cm^-2s^-1剂量率、300keV能量的C⁴⁺离子对尺寸为10×10×0.33mm的4H-SiC单晶样品进行辐照，以模拟核设施中的辐照环境条件。该辐照条件下，4H-SiC晶体中将同时产生硅空位V_Si与碳空位V_C两种基本单空位。本实施例以该辐照条件下4H-SiC单晶样品作为处理对象，对相关步骤的执行过程进行说明。It should be noted that, in this embodiment, a 4H-SiC single crystal sample with a size of 10×10×0.33 mm can be irradiated with C⁴⁺ ions at a dose of 1×10¹⁶ cm^-2 , a dose rate of 3^{×10 12} cm^-2 s^-1 , and an energy of 300 keV to simulate the irradiation environment conditions in nuclear facilities. Under the irradiation conditions, two basic single vacancies, silicon vacancies V_Si and carbon vacancies V_C, will be simultaneously generated in the 4H-SiC crystal. This embodiment takes the 4H-SiC single crystal sample under the irradiation conditions as the processing object, and describes the execution process of the relevant steps.

此时，晶体样品可以为上述辐照条件下的4H-SiC单晶样品，M个预期空位缺陷类型可以包括硅空位V_Si与碳空位V_C共计两种预期空位缺陷类型。At this time, the crystal sample can be a 4H-SiC single crystal sample under the above-mentioned irradiation conditions, and the M expected vacancy defect types can include two expected vacancy defect types, namely silicon vacancies V_Si and carbon vacancies V_C.

具体的，本实施例可以先行使用密度泛函理论框架计算正电子在4H-SiC无损的完整晶体结构中湮灭时产生的理论无损谱，以及在硅空位V_Si与碳空位V_C中湮灭时产生的理论空位谱，具体可以包括4H-SiC结构的两个不同几何位置h与k位置形成的单空位中产生理论空位谱取平均后得到的谱，其中，V_Si对应的理论空位谱可以为h位硅缺失形成的V_Si-h与k位硅缺失形成的V_Si-k二者所对应理论空位谱的平均谱，V_C对应的理论空位谱可以为h位碳缺失形成的V_C-h与k位碳缺失形成的V_C-k二者所对应理论空位谱的平均谱。Specifically, this embodiment can first use the density functional theory framework to calculate the theoretical lossless spectrum generated when the positron is annihilated in the lossless complete crystal structure of 4H-SiC, as well as the theoretical vacancy spectrum generated when the positron is annihilated in the silicon vacancy V_Si and the carbon vacancy V_C , which can specifically include the spectrum obtained by averaging the theoretical vacancy spectra generated in the single vacancies formed at two different geometric positions h and k of the 4H-SiC structure, wherein the theoretical vacancy spectrum corresponding to V_Si can be the average spectrum of the theoretical vacancy spectra corresponding to V_Si-h formed by the h-position silicon deficiency and V_Si-k formed by the k-position silicon deficiency, and the theoretical vacancy spectrum corresponding to V_C can be the average spectrum of the theoretical vacancy spectra corresponding to V_Ch formed by the h-position carbon deficiency and V_Ck formed by the k-position carbon deficiency.

具体的，本实施例可以将硅空位V_Si与碳空位V_C的理论空位谱分别与理论无损谱进行对齐、转换并取比值，得到硅空位V_Si与碳空位V_C分别对应的理论比例谱。Specifically, in this embodiment, the theoretical vacancy spectra of silicon vacancies V_Si and carbon vacancies V_C can be aligned with the theoretical lossless spectrum, converted and ratioed to obtain theoretical ratio spectra corresponding to silicon vacancies V_Si and carbon vacancies V_C , respectively.

S302、确定N个理论比例谱在预设的峰位偏移量区间中的多个公共交点。S302: Determine a plurality of common intersection points of N theoretical ratio spectra in a preset peak position offset interval.

具体的，本实施例可以将V_Si-h、V_Si-k、V_C-h和V_C-k对应的理论比例谱绘制到同一张以偏离511keV峰位的量ΔE为横轴的谱图上，如图5所示的四条曲线。将ΔE<10keV区间确定为峰位偏移量区间，之后在图中确定V_Si-h和V_Si-k二者所对应理论空位谱的平均谱即V_Si对应的理论空位谱，确定V_C-h和V_C-k二者所对应理论空位谱的平均谱即V_C对应的理论空位谱，确定V_Si和V_C所对应理论空位谱在峰位偏移量区间中的公共交点。Specifically, in this embodiment, the theoretical proportional spectra corresponding to V_Si-h , V_Si-k , V_Ch and V_Ck can be plotted on the same spectrum with the deviation from the 511keV peak position ΔE as the horizontal axis, as shown in the four curves in FIG5. The interval of ΔE<10keV is determined as the peak position offset interval, and then the average spectrum of the theoretical vacancy spectra corresponding to V_Si-h and V_Si-k , that is, the theoretical vacancy spectrum corresponding to V_Si , is determined in the figure, the average spectrum of the theoretical vacancy spectra corresponding to V_Ch and V_Ck, that is, the theoretical vacancy spectrum corresponding to V_C, is determined, and the common intersection of the theoretical vacancy spectra corresponding to V_Si and V_C in the peak position offset interval is determined.

S303、根据公共交点，在峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N。S303. Determine peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval according to the common intersection point; wherein M is less than or equal to N.

具体的，本实施例可以根据公共交点将峰位偏移量区间划分为4个区间，如图5所示的A、B和C区间，以及A和B之间的部分。在该4个区间中确定A、B和C区间为峰位特征区间。其中，理论比例谱在A和B区间之间的部分没有清晰的大小关系，不能作为峰位特征区间。Specifically, in this embodiment, the peak offset interval can be divided into four intervals according to the common intersection, such as intervals A, B and C as shown in FIG5, and the portion between A and B. Among the four intervals, intervals A, B and C are determined as peak characteristic intervals. Among them, the portion of the theoretical ratio spectrum between intervals A and B has no clear size relationship and cannot be used as a peak characteristic interval.

S304、基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的第一实验比例谱，确定M个预期空位缺陷类型对应的分辨参数。S304, determining the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample.

第一实验比例谱为在晶体样品的第一深度处进行测试得到，M个预期空位缺陷类型对应的分辨参数包括M个预期空位缺陷类型在第一深度下对应的分辨参数。The first experimental ratio spectrum is obtained by testing at a first depth of the crystal sample, and the resolution parameters corresponding to the M expected vacancy defect types include resolution parameters corresponding to the M expected vacancy defect types at the first depth.

具体的，本实施例在第一实验条件(第一能量的慢正电子和第一深度)下测定出晶体样品的正电子湮灭动量展宽谱以及相应无损晶体的正电子湮灭动量展宽谱，并经过相应转换和取正电子湮灭强度比，得到第一实验比例谱，并确定M个预期空位缺陷类型对应的分辨参数。Specifically, this embodiment measures the positron annihilation momentum broadening spectrum of the crystal sample and the positron annihilation momentum broadening spectrum of the corresponding lossless crystal under the first experimental conditions (slow positrons of the first energy and the first depth), and obtains the first experimental ratio spectrum through corresponding conversion and taking the positron annihilation intensity ratio, and determines the resolution parameters corresponding to the M expected vacancy defect types.

在实际应用中，预期空位缺陷类型在晶体样品中沿深度方向可能分布不均匀。本实施例可以构建预期空位缺陷类型对应的相对分辨参数，根据相对分辨参数确定晶体样品的真实空位缺陷类型。In practical applications, the expected vacancy defect type may be unevenly distributed in the depth direction of the crystal sample. This embodiment can construct a relative resolution parameter corresponding to the expected vacancy defect type, and determine the actual vacancy defect type of the crystal sample according to the relative resolution parameter.

S305、基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的P个第二实验比例谱，确定M个预期空位缺陷类型对应的P组分辨参数；其中，第二实验比例谱为在晶体样品的一个第二深度处进行测试得到，分辨参数包括M个预期空位缺陷在晶体样品的一个第二深度下对应的分辨参数，所有第二深度、第一深度互不相同。S305. Determine P groups of resolution parameters corresponding to the M expected vacancy defect types based on the peak characteristic intervals corresponding to the M expected vacancy defect types and the P second experimental ratio spectra corresponding to the crystal sample; wherein the second experimental ratio spectrum is obtained by testing at a second depth of the crystal sample, and the resolution parameters include resolution parameters corresponding to the M expected vacancy defects at a second depth of the crystal sample, and all second depths and first depths are different from each other.

具体的，本实施例还可以在P组实验条件下测定出P个第二实验比例谱。需要说明的是，每组实验条件即包括第二能量的慢正电子和第二深度。不同实验条件中的能量和深度可以是互不相同的。如表1所示(包括上述第一实验条件)，本实施例可以使用能量范围0.5～25keV的慢正电子束，对受辐照损伤(包含空位缺陷)的4H-SiC单晶样品与未辐照(不包含空位缺陷)的空白4H-SiC单晶样品，在如下表1所示的深度位置测定了30组正电子湮灭动量展宽谱，总共测得受辐照样品的30个实验损伤谱Exp_dmg与未辐照样品的30个实验无损谱Exp_bulk。Specifically, the present embodiment can also measure P second experimental proportion spectra under P groups of experimental conditions. It should be noted that each group of experimental conditions includes slow positrons of a second energy and a second depth. The energy and depth in different experimental conditions may be different. As shown in Table 1 (including the above-mentioned first experimental conditions), the present embodiment can use a slow positron beam with an energy range of 0.5 to 25 keV, and for 4H-SiC single crystal samples with irradiation damage (including vacancy defects) and blank 4H-SiC single crystal samples that are not irradiated (not including vacancy defects), 30 groups of positron annihilation momentum broadening spectra are measured at the depth positions shown in Table 1 below, and a total of 30 experimental damage spectra Exp_dmg of irradiated samples and 30 experimental lossless spectra Exp_bulk of non-irradiated samples are measured.

表1实验条件表Table 1 Experimental conditions

之后，本实施例可以将30个实验损伤谱与同深度处测定的30个实验无损谱在511keV峰位处分别对齐并取比值，总共得到30个实验比例谱Exp_r＝Exp_dmg/Exp_bulk，其中一个慢正电子能量8keV、测量深度346nm的实验比例谱如图5中散点所示。Afterwards, in this embodiment, the 30 experimental damage spectra can be aligned with the 30 experimental lossless spectra measured at the same depth at the 511 keV peak and the ratios can be taken, so as to obtain a total of 30 experimental ratio spectra Exp_r =Exp_dmg /Exp_bulk , of which an experimental ratio spectrum with a slow positron energy of 8 keV and a measurement depth of 346 nm is shown as the scattered points in FIG. 5 .

可以理解的是，每个预期空位缺陷类型在每个实验比例谱下均可以构造出一个分辨参数。具体的，V_Si在上述30个实验比例谱下可以构造出30个分辨参数P_Si1～P_Si30，V_C在上述30个实验比例谱下可以构造出30个分辨参数P_C1～P_C30，如图6所示的分辨参数-深度图。It can be understood that each expected vacancy defect type can construct a resolution parameter under each experimental ratio spectrum. Specifically, V_Si can construct 30 resolution parameters P_Si1 to P_Si30 under the above 30 experimental ratio spectra, and V_C can construct 30 resolution parameters P_C1 to P_C30 under the above 30 experimental ratio spectra, as shown in the resolution parameter-depth diagram in FIG6 .

S306、根据M个预期空位缺陷类型在第一深度下对应的分辨参数以及P组分辨参数，确定M个预期空位缺陷类型对应的相对分辨参数。S306 , determining relative resolution parameters corresponding to the M expected vacancy defect types according to the resolution parameters corresponding to the M expected vacancy defect types at the first depth and the P groups of resolution parameters.

可选的，M个预期空位缺陷类型中包括第三预期空位缺陷类型。上述步骤S306可以包括：Optionally, the M expected vacancy defect types include a third expected vacancy defect type. The above step S306 may include:

从第三预期空位缺陷类型在第一深度和每个第二深度下对应的分辨参数中，确定出与损伤区对应的每个第一分辨参数以及与基体区对应的每个第二分辨参数；其中，损伤区为晶体样品中深度小于第一预设深度的区域，基体区为晶体样品中从第二预设深度至第三预设深度的区域，第三预设深度大于第二预设深度，第二预设深度大于第一预设深度；Determine each first resolution parameter corresponding to the damaged area and each second resolution parameter corresponding to the matrix area from the resolution parameters corresponding to the third expected vacancy defect type at the first depth and each second depth; wherein the damaged area is an area in the crystal sample with a depth less than the first preset depth, and the matrix area is an area in the crystal sample from the second preset depth to the third preset depth, the third preset depth is greater than the second preset depth, and the second preset depth is greater than the first preset depth;

计算所有第一分辨参数的第一均值，以及计算所有第二分辨参数的第二均值；calculating a first mean value of all first resolution parameters, and calculating a second mean value of all second resolution parameters;

计算第一均值与第二均值的比值，并作为第三预期空位缺陷类型对应的相对分辨参数。The ratio of the first mean to the second mean is calculated and used as a relative resolution parameter corresponding to the third expected vacancy defect type.

具体的，本实施例当使用300keV能量C⁴⁺离子对4H-SiC进行辐照时，离子在4H-SiC晶体中的射程(<700nm)显著小于样品尺度。而本实施例进行的30组实验，慢正电子射程(2142nm)可以覆盖所有引入空位缺陷的区域(<700nm)，并额外覆盖一部分深层的无损基体。Specifically, when 300keV energy C⁴⁺ ions are used to irradiate 4H-SiC in this embodiment, the range of ions in the 4H-SiC crystal (<700nm) is significantly smaller than the sample scale. In the 30 experiments conducted in this embodiment, the slow positron range (2142nm) can cover all regions (<700nm) where vacancy defects are introduced, and additionally cover a portion of the deep non-destructive matrix.

具体的，本实施例使用重离子辐照引入的空位沿辐照深度方向分布不均匀，因此需要进一步构造并使用相对空位分辨参数。如图7所示，本实施例可以深度划分位于浅层的损伤区与位于深层的基体区，对第i种预期空位缺陷类型x_i使用损伤区内的P_i平均值(记为P_i-dmg)除以基体区内的P_i平均值(记为P_i-bulk)，即对x_i得到如下形式的相对空位分辨参数P_i-rel：Specifically, the vacancies introduced by heavy ion irradiation in this embodiment are unevenly distributed along the irradiation depth direction, so it is necessary to further construct and use a relative vacancy resolution parameter. As shown in FIG7 , this embodiment can deeply divide the damage area located in the shallow layer and the matrix area located in the deep layer, and for the i-th expected vacancy defect type x_i, the average value of_Pi in the damage area (denoted as Pi_-dmg ) is divided by the average value of_Pi in the matrix area (denoted as Pi_-bulk ), that is, the relative vacancy resolution parameter Pi_-rel of the following form is obtained for x_i :

需要说明的是，本实施例可以对样品中的每种预期空位缺陷类型得出单一的分辨参数来描述该种空位预期空位缺陷类型的整体分布情形。本实施例可以根据300keV的C⁴⁺离子在SiC中的射程特征(最大射程小于700nm，能损峰位于400～500nm)，将深度小于700nm的范围划分为损伤区，将深度在1400～2200nm的范围划分为基体区，对V_Si与V_C分别使用损伤区内的P_Si与P_C平均值(记为P_Si-dmg与P_C-dmg)除以基体区内的P_Si与P_C平均值(记为P_Si-bulk与P_C-bulk)，即对空位V_Si与V_C分别得到如下形式的单个相对分辨参数P_Si-rel与P_C-rel。It should be noted that this embodiment can derive a single resolution parameter for each expected vacancy defect type in the sample to describe the overall distribution of the expected vacancy defect type. This embodiment can divide the range of depth less than 700nm into the damage region and the range of depth between 1400 and 2200nm into the matrix region according to the range characteristics of 300keV C4⁺ ions in SiC (maximum range less than 700nm, energy loss peak at 400-500nm),_{and divide the average value of PSi and Pcinthedamage} region (denoted as_PSi-dmg and_Pc-dmg ) by the average value of_PSi and_Pc in the matrix region (denoted as_PSi-bulk and_Pc-bulk ) for VSi and VC, that is, for vacancies_VSi and_VC, the following single relative resolution parameters_PSi-rel and_Pc-rel are obtained respectively.

具体的，相对分辨参数P_Si-rel与P_C-rel代表了样品的整体损伤情形，同样与空位V_Si与V_C的分布情形对应。Specifically, the relative resolution parameters P_Si-rel and P_C-rel represent the overall damage status of the sample, which also corresponds to the distribution of vacancies V_Si and V_C.

S307、在M个预期空位缺陷类型对应的相对分辨参数中，若目标预期空位缺陷类型对应的相对分辨参数远大于其他预期空位缺陷类型对应的相对分辨参数，则将目标预期空位缺陷类型中的每个预期空位缺陷类型作为晶体样品的真实空位缺陷类型；S307, among the relative resolution parameters corresponding to the M expected vacancy defect types, if the relative resolution parameter corresponding to the target expected vacancy defect type is much greater than the relative resolution parameters corresponding to other expected vacancy defect types, then each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;

可以理解的是，步骤S307可以为上述步骤S105的一种具体实施方式。It can be understood that step S307 may be a specific implementation of the above step S105.

其中，目标预期空位缺陷类型包括M个预期空位缺陷类型中的至少一个预期空位缺陷类型。Among them, the target expected vacancy defect type includes at least one expected vacancy defect type among M expected vacancy defect types.

需要说明的是，不同空位缺陷类型对应的相对分辨参数在数值上相对差别不会像分辨参数一样出现数个数量级的差异，即不会出现相差多个数量级的极小或极大的参数值，各相对分辨参数间的大小对比仍可以代表晶体样品中对应类型空位缺陷的数量多寡。It should be noted that the relative differences in the values of the relative resolution parameters corresponding to different types of vacancy defects will not differ by several orders of magnitude like the resolution parameters, that is, there will be no extremely small or extremely large parameter values that differ by several orders of magnitude. The size comparison between the relative resolution parameters can still represent the number of corresponding types of vacancy defects in the crystal sample.

可选的，本实施例在根据M个预期空位缺陷类型对应的相对分辨参数确定晶体样品的真实空位缺陷类型时，如果某个预期空位缺陷类型对应的相对分辨参数大于预设的相对分辨参数阈值，本实施例也可以将该预期空位缺陷类型确定为晶体样品的真实空位缺陷类型。Optionally, when this embodiment determines the true vacancy defect type of the crystal sample based on the relative resolution parameters corresponding to M expected vacancy defect types, if the relative resolution parameter corresponding to a certain expected vacancy defect type is greater than a preset relative resolution parameter threshold, this embodiment may also determine the expected vacancy defect type as the true vacancy defect type of the crystal sample.

S308、当目标预期空位缺陷类型包括M个预期空位缺陷类型中的多个预期空位缺陷类型时，根据每个真实空位缺陷类型对应的目标分辨参数，确定晶体样品中不同真实空位缺陷类型之间的空位数占比；其中，目标分辨参数为相对分辨参数。S308. When the target expected vacancy defect type includes multiple expected vacancy defect types among M expected vacancy defect types, determine the vacancy number ratio between different real vacancy defect types in the crystal sample according to the target resolution parameter corresponding to each real vacancy defect type; wherein the target resolution parameter is a relative resolution parameter.

本发明的发明人在实际测试中可以得到如下表2所示数据。The inventors of the present invention can obtain the data shown in Table 2 below in actual tests.

表2相对分辨参数Table 2 Relative resolution parameters

相对分辨参数Relative resolution parameterP_Si-relP_Si-relP_C-relP_C-rel参数值Parameter Value1.051.050.790.79对应空位Corresponding vacancy硅空位V_SiSilicon vacancy V_Si碳空位V_CCarbon vacancy V_C

具体的，两个相对分辨参数准确对应两种基本单空位，且P_Si-rel>P_C-rel，表示在整个损伤区域(深度<700nm)内有硅空位V_Si和碳空位V_C两种空位缺陷类型，且硅空位V_Si明显多于碳空位V_C。Specifically, the two relative resolution parameters accurately correspond to the two basic single vacancies, and P_Si-rel >P_C-rel , indicating that there are two types of vacancy defects, silicon vacancies V_Si and carbon vacancies_VC, in the entire damaged area (depth <700nm), and the silicon vacancies V_Si are significantly more than the carbon vacancies_VC .

具体的，两种空位缺陷类型的空位数占比则可写为x_i空位数占比x_j空位数占比其中r_i、r_j为比例系数(与材料特性相关)。使用在实际测试中取得的4H-SiC中两种基本单空位对应的相对分辨参数比例系数r_Si＝1.447，r_C＝0.408。可以确定V_Si空位数占比R_Si和V_C空位数占比分别R_C为：Specifically, the vacancy ratio of the two vacancy defect types can be written as the vacancy ratio of x_i x_j vacancy ratio Where r_i and r_j are proportional coefficients (related to material properties). Using the relative resolution parameter proportional coefficients r_Si = 1.447 and r_C = 0.408 corresponding to the two basic single vacancies in 4H-SiC obtained in actual testing, it can be determined that the vacancy ratio of V_Si R_Si and the vacancy ratio of V_C R_C are:

可以理解的是，R_Si和R_C的大小符合前文辐照条件下4H-SiC晶体中产生的单空位中硅空位多于碳空位的预期。It can be understood that the sizes of R_Si and_RC are consistent with the expectation that there are more silicon vacancies than carbon vacancies in the single vacancies generated in 4H-SiC crystals under irradiation conditions as mentioned above.

需要说明的是，本实施例已具体展示使用300keV能量C⁴⁺离子对4H-SiC单晶样品施加10¹⁶cm^-2剂量辐照后，对4H-SiC单晶样品中产生的两种基本单空位(硅空位V_Si与碳空位V_C)可以得到如图8中10¹⁶cm^-2辐照剂量对应数据点所示的相对分辨参数，由此有效区分了两种基本单空位。若使用相同的300keV能量C⁴⁺离子再对3组4H-SiC样品分别进行剂量为10¹³、10¹⁴、10¹⁵cm-2的辐照以产生空位损伤，然后分别确定每组晶体样品的相对分辨参数，结合上述实施例中的无辐照组与10¹⁶cm^-2剂量组，可得结果如下表所示。图8中，相对空位分辨参数即为相对分辨参数，1E13、1E14、1E15和1E16分别指10¹³、10¹⁴、10¹⁵和10¹⁶。It should be noted that this embodiment has specifically demonstrated that after irradiating a 4H-SiC single crystal sample with a dose of 10¹⁶ cm^-2 using 300 keV energy C⁴⁺ ions, the two basic single vacancies (silicon vacancies V_Si and carbon vacancies V_C ) generated in the 4H-SiC single crystal sample can be obtained as shown in the data points corresponding to the irradiation dose of 10¹⁶ cm^-2 in FIG8 , thereby effectively distinguishing the two basic single vacancies. If the same 300 keV energy C⁴⁺ ions are used to irradiate three groups of 4H-SiC samples with doses of 10¹³ , 10¹⁴ , and 10¹⁵ cm -2 to produce vacancy damage, and then the relative resolution parameters of each group of crystal samples are determined respectively, combined with the non-irradiated group and the 10¹⁶ cm^-2 dose group in the above embodiment, the results can be obtained as shown in the following table. In FIG8 , the relative vacancy resolution parameter is the relative resolution parameter, and 1E13, 1E14, 1E15 and 1E16 refer to 10¹³ , 10¹⁴ , 10¹⁵ and 10¹⁶ , respectively.

辐照剂量(cm^-2)Radiation dose (cm^-2 )0010¹³10¹³10¹⁴10¹⁴10¹⁵10¹⁵10¹⁶10¹⁶P_Si-relP_Si-rel1.041.041.031.031.051.051.051.051.051.05P_C-relP_C-rel1.001.000.940.940.840.840.840.840.790.79

具体的，本实施例将上表数据绘制为如图8所示的相对分辨参数-辐照剂量关系图，即可进一步刻画不同剂量辐照产生不同类型空位的占比变化规律。Specifically, this embodiment plots the data in the above table as a relative resolution parameter-irradiation dose relationship diagram as shown in FIG8 , which can further describe the variation pattern of the proportion of different types of vacancies generated by different doses of irradiation.

本实施例提出的晶体空位缺陷类型识别方法，可以针对空位缺陷分布不均匀的晶体样品中，构造并利用相对分辨参数实现对晶体样品整体区域中真实空位缺陷类型的有效识别，实现对不同空位缺陷类型的区分，并可以确定不同空位缺陷类型的空位数占比，进一步掌握晶体结构情况，对晶体材料的辐照损伤作出精确评估，增强对晶体材料的性能评估和优化。The method for identifying the type of crystal vacancy defects proposed in this embodiment can construct and use relative resolution parameters to effectively identify the real vacancy defect types in the entire area of the crystal sample in a crystal sample with uneven vacancy defect distribution, distinguish different vacancy defect types, and determine the vacancy number ratio of different vacancy defect types, further understand the crystal structure, make an accurate assessment of the radiation damage of the crystal material, and enhance the performance evaluation and optimization of the crystal material.

如图9所示，本实施例提出一种晶体空位缺陷类型识别装置，该装置包括：As shown in FIG9 , this embodiment provides a crystal vacancy defect type identification device, which includes:

获取单元101，用于获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，理论比例谱中包括峰位偏移量与正电子湮灭强度理论比；An acquisition unit 101 is used to acquire N theoretical ratio spectra corresponding to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include peak position shift and positron annihilation intensity theoretical ratio;

第一确定单元102，用于确定N个理论比例谱在预设的峰位偏移量区间中的多个公共交点；A first determining unit 102 is used to determine a plurality of common intersection points of N theoretical ratio spectra in a preset peak position offset interval;

第二确定单元103，用于根据公共交点，在峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；A second determining unit 103 is used to determine, according to the common intersection point, peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval; wherein M is less than or equal to N;

第三确定单元104，用于基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的第一实验比例谱，确定M个预期空位缺陷类型对应的分辨参数；A third determining unit 104 is used to determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample;

第四确定单元105，用于根据M个预期空位缺陷类型对应的分辨参数，确定晶体样品的真实空位缺陷类型。The fourth determination unit 105 is used to determine the actual vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types.

需要说明的是，获取单元101、第一确定单元102、第二确定单元103、第三确定单元104和第四确定单元105的处理过程及其带来的有益效果，可以分别参照图1中的步骤S101至S105，不再赘述。It should be noted that the processing procedures of the acquisition unit 101, the first determination unit 102, the second determination unit 103, the third determination unit 104 and the fourth determination unit 105 and the beneficial effects brought about by them can be respectively referred to steps S101 to S105 in Figure 1, and will not be repeated here.

可选的，第二确定单元103，还用于：Optionally, the second determining unit 103 is further configured to:

根据所有公共交点对应的峰位偏移量，将峰位偏移量区间划分为相应的多个子区间；According to the peak position offsets corresponding to all common intersection points, the peak position offset interval is divided into corresponding multiple sub-intervals;

针对任一划分区间，如果第一理论比例谱在划分区间中的正电子湮灭强度理论比大于其他理论比例谱在划分区间中的正电子湮灭强度理论比，则将划分区间确定为第一预期空位缺陷类型对应的峰位特征区间，以确定M个预期空位缺陷类型对应的峰位特征区间；For any divided interval, if the theoretical ratio of positron annihilation intensity of the first theoretical ratio spectrum in the divided interval is greater than the theoretical ratio of positron annihilation intensity of other theoretical ratio spectra in the divided interval, the divided interval is determined as the peak position characteristic interval corresponding to the first expected vacancy defect type, so as to determine the peak position characteristic intervals corresponding to the M expected vacancy defect types;

其中，第一理论比例谱为N个理论比例谱中之一，第一预期空位缺陷类型为第一理论比例谱对应的预期空位缺陷类型。The first theoretical ratio spectrum is one of the N theoretical ratio spectra, and the first expected vacancy defect type is the expected vacancy defect type corresponding to the first theoretical ratio spectrum.

可选的，第一实验比例谱中包括峰位偏移量与正电子湮灭强度实验比之间的对应关系；第三确定单元104，还用于：Optionally, the first experimental ratio spectrum includes a corresponding relationship between the peak position shift and the positron annihilation intensity experimental ratio; the third determining unit 104 is further used to:

计算第一实验比例谱分别在每个峰位特征区间中的积分值，并分别作为相应预期空位缺陷类型的实验谱积分值，以得到M个预期空位缺陷类型的实验谱积分值；Calculate the integral value of the first experimental ratio spectrum in each peak characteristic interval, and use them as the experimental spectrum integral value of the corresponding expected vacancy defect type, so as to obtain the experimental spectrum integral values of M expected vacancy defect types;

根据M个预期空位缺陷类型的实验谱积分值，确定M个预期空位缺陷类型对应的分辨参数。According to the experimental spectrum integral values of the M expected vacancy defect types, the resolution parameters corresponding to the M expected vacancy defect types are determined.

可选的，M个预期空位缺陷类型中包括第二预期空位缺陷类型；第三确定单元104，还用于：Optionally, the M expected vacancy defect types include a second expected vacancy defect type; and the third determining unit 104 is further configured to:

计算第二预期空位缺陷类型的每个实验谱积分值之和，得到第一和值；以及计算每个实验谱积分值之和，得到第二和值；Calculating the sum of each experimental spectrum integral value of the second expected vacancy defect type to obtain a first sum value; and calculating the sum of each experimental spectrum integral value to obtain a second sum value;

计算第一和值减去目标积分值得到的差值；Calculate the difference between the first sum and the target integral value;

确定差值与第二和值的比值，并作为第二预期空位缺陷类型对应的分辨参数；Determine a ratio of the difference value to the second sum value and use it as a discrimination parameter corresponding to the second expected vacancy defect type;

其中，当第二预期空位缺陷类型对应的峰位特征区间中包括目标特征区间时，目标积分值包括所有实验谱积分值中除第二预期空位缺陷类型的实验谱积分值之外的实验谱积分值，目标特征区间为端点值最小的峰位特征区间；Wherein, when the peak characteristic interval corresponding to the second expected vacancy defect type includes the target characteristic interval, the target integral value includes the experimental spectrum integral value of all experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type, and the target characteristic interval is the peak characteristic interval with the smallest endpoint value;

当第二预期空位缺陷类型对应的峰位特征区间中未包括目标特征区间时，目标积分值包括所有实验谱积分值中除第二预期空位缺陷类型的实验谱积分值以及目标特征区间对应的实验谱积分值之外的实验谱积分值。When the target characteristic interval is not included in the peak characteristic interval corresponding to the second expected vacancy defect type, the target integral value includes the experimental spectrum integral values of all experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type and the experimental spectrum integral value corresponding to the target characteristic interval.

可选的，第四确定单元105，还用于：Optionally, the fourth determining unit 105 is further configured to:

在M个预期空位缺陷类型对应的分辨参数中，若目标预期空位缺陷类型对应的分辨参数远大于其他预期空位缺陷类型对应的分辨参数，则将目标预期空位缺陷类型中的每个预期空位缺陷类型作为晶体样品的真实空位缺陷类型；Among the resolution parameters corresponding to the M expected vacancy defect types, if the resolution parameter corresponding to the target expected vacancy defect type is much greater than the resolution parameters corresponding to other expected vacancy defect types, each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;

其中，目标预期空位缺陷类型包括M个预期空位缺陷类型中的至少一个预期空位缺陷类型。Among them, the target expected vacancy defect type includes at least one expected vacancy defect type among M expected vacancy defect types.

可选的，第一实验比例谱为在晶体样品的第一深度处进行测试得到，M个预期空位缺陷类型对应的分辨参数包括M个预期空位缺陷类型在第一深度下对应的分辨参数；上述装置还包括：Optionally, the first experimental ratio spectrum is obtained by testing at a first depth of the crystal sample, and the resolution parameters corresponding to the M expected vacancy defect types include resolution parameters corresponding to the M expected vacancy defect types at the first depth; the above-mentioned apparatus further includes:

第五确定单元，用于在确定M个预期空位缺陷类型对应的分辨参数之后，基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的P个第二实验比例谱，确定M个预期空位缺陷类型对应的P组分辨参数；其中，第二实验比例谱为在晶体样品的一个第二深度处进行测试得到，分辨参数包括M个预期空位缺陷在晶体样品的一个第二深度下对应的分辨参数，所有第二深度、第一深度互不相同；a fifth determination unit, for determining, after determining the resolution parameters corresponding to the M expected vacancy defect types, P groups of resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the P second experimental proportion spectra corresponding to the crystal sample; wherein the second experimental proportion spectrum is obtained by testing at a second depth of the crystal sample, and the resolution parameters include resolution parameters corresponding to the M expected vacancy defects at a second depth of the crystal sample, and all the second depths and the first depths are different from each other;

第六确定单元，用于根据M个预期空位缺陷类型在第一深度下对应的分辨参数以及P组分辨参数，确定M个预期空位缺陷类型对应的相对分辨参数。The sixth determination unit is used to determine relative resolution parameters corresponding to the M expected vacancy defect types according to the resolution parameters corresponding to the M expected vacancy defect types at the first depth and the P groups of resolution parameters.

可选的，M个预期空位缺陷类型中包括第三预期空位缺陷类型；第六确定单元，还用于：Optionally, the M expected vacancy defect types include a third expected vacancy defect type; and the sixth determining unit is further configured to:

从第三预期空位缺陷类型在第一深度和每个第二深度下对应的分辨参数中，确定出与损伤区对应的每个第一分辨参数以及与基体区对应的每个第二分辨参数；其中，损伤区为晶体样品中深度小于第一预设深度的区域，基体区为晶体样品中从第二预设深度至第三预设深度的区域，第三预设深度大于第二预设深度，第二预设深度大于第一预设深度；Determine each first resolution parameter corresponding to the damaged area and each second resolution parameter corresponding to the matrix area from the resolution parameters corresponding to the third expected vacancy defect type at the first depth and each second depth; wherein the damaged area is an area in the crystal sample with a depth less than the first preset depth, and the matrix area is an area in the crystal sample from the second preset depth to the third preset depth, the third preset depth is greater than the second preset depth, and the second preset depth is greater than the first preset depth;

计算所有第一分辨参数的第一均值，以及计算所有第二分辨参数的第二均值；calculating a first mean value of all first resolution parameters, and calculating a second mean value of all second resolution parameters;

计算第一均值与第二均值的比值，并作为第三预期空位缺陷类型对应的相对分辨参数。The ratio of the first mean to the second mean is calculated and used as a relative resolution parameter corresponding to the third expected vacancy defect type.

可选的，第四确定单元105，还用于：Optionally, the fourth determining unit 105 is further configured to:

在M个预期空位缺陷类型对应的相对分辨参数中，若目标预期空位缺陷类型对应的相对分辨参数远大于其他预期空位缺陷类型对应的相对分辨参数，则将目标预期空位缺陷类型中的每个预期空位缺陷类型作为晶体样品的真实空位缺陷类型；Among the relative resolution parameters corresponding to the M expected vacancy defect types, if the relative resolution parameter corresponding to the target expected vacancy defect type is much greater than the relative resolution parameters corresponding to other expected vacancy defect types, then each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;

其中，目标预期空位缺陷类型包括M个预期空位缺陷类型中的至少一个预期空位缺陷类型。Among them, the target expected vacancy defect type includes at least one expected vacancy defect type among M expected vacancy defect types.

可选的，当目标预期空位缺陷类型包括M个预期空位缺陷类型中的多个预期空位缺陷类型时，上述装置还包括：Optionally, when the target expected vacancy defect type includes multiple expected vacancy defect types among the M expected vacancy defect types, the above-mentioned apparatus further includes:

第七确定单元，用于在将目标预期空位缺陷类型中的每个预期空位缺陷类型作为晶体样品的真实空位缺陷类型之后，根据每个真实空位缺陷类型对应的目标分辨参数，确定晶体样品中不同真实空位缺陷类型之间的空位数占比；其中，目标分辨参数为分辨参数或相对分辨参数。The seventh determination unit is used to determine the vacancy number ratio between different real vacancy defect types in the crystal sample according to the target resolution parameter corresponding to each real vacancy defect type after taking each expected vacancy defect type in the target expected vacancy defect type as the real vacancy defect type of the crystal sample; wherein the target resolution parameter is a resolution parameter or a relative resolution parameter.

本实施例提出的晶体空位缺陷类型识别装置，可以获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，理论比例谱中包括峰位偏移量与正电子湮灭强度理论比；确定N个理论比例谱在预设的峰位偏移量区间中的多个公共交点；根据公共交点，在峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；基于M个预期空位缺陷类型对应的峰位特征区间和晶体样品对应的第一实验比例谱，确定M个预期空位缺陷类型对应的分辨参数；根据M个预期空位缺陷类型对应的分辨参数，确定晶体样品的真实空位缺陷类型。本实施例可以通过对晶体样品的理论比例谱和实验比例谱进行数据处理，有效识别出晶体样品中的空位缺陷类型。The crystal vacancy defect type identification device proposed in this embodiment can obtain N theoretical proportion spectra corresponding to N expected vacancy defect types of the crystal sample, wherein the theoretical proportion spectra include the peak offset and the theoretical ratio of the positron annihilation intensity; determine multiple common intersections of the N theoretical proportion spectra in a preset peak offset interval; determine the peak characteristic interval corresponding to the M expected vacancy defect types in the peak offset interval based on the common intersections; wherein M is less than or equal to N; determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak characteristic intervals corresponding to the M expected vacancy defect types and the first experimental proportion spectrum corresponding to the crystal sample; determine the real vacancy defect type of the crystal sample based on the resolution parameters corresponding to the M expected vacancy defect types. This embodiment can effectively identify the vacancy defect type in the crystal sample by performing data processing on the theoretical proportion spectrum and the experimental proportion spectrum of the crystal sample.

本实施例中的晶体空位缺陷类型识别装置是以功能单元的形式来呈现，这里的单元是指ASIC(Application Specific Integrated Circuit，专用集成电路)电路，执行一个或多个软件或固定程序的处理器和存储器，和/或其他可以提供上述功能的器件。The crystal vacancy defect type identification device in this embodiment is presented in the form of a functional unit, where the unit refers to an ASIC (Application Specific Integrated Circuit) circuit, a processor and memory that executes one or more software or fixed programs, and/or other devices that can provide the above functions.

本发明实施例还提供一种计算机设备，具有上述图9所示的晶体空位缺陷类型识别装置。An embodiment of the present invention further provides a computer device having the crystal vacancy defect type identification device shown in FIG. 9 above.

请参阅图10，图10是本发明可选实施例提供的一种计算机设备的结构示意图，如图10所示，该计算机设备包括：一个或多个处理器10、存储器20，以及用于连接各部件的接口，包括高速接口和低速接口。各个部件利用不同的总线互相通信连接，并且可以被安装在公共主板上或者根据需要以其它方式安装。处理器可以对在计算机设备内执行的指令进行处理，包括存储在存储器中或者存储器上以在外部输入/输出装置(诸如，耦合至接口的显示设备)上显示GUI的图形信息的指令。在一些可选的实施方式中，若需要，可以将多个处理器和/或多条总线与多个存储器和多个存储器一起使用。同样，可以连接多个计算机设备，各个设备提供部分必要的操作(例如，作为服务器阵列、一组刀片式服务器、或者多处理器系统)。图10中以一个处理器10为例。Please refer to Figure 10, which is a schematic diagram of the structure of a computer device provided by an optional embodiment of the present invention. As shown in Figure 10, the computer device includes: one or more processors 10, a memory 20, and interfaces for connecting various components, including high-speed interfaces and low-speed interfaces. The various components are connected to each other using different buses for communication, and can be installed on a common motherboard or installed in other ways as needed. The processor can process instructions executed in the computer device, including instructions stored in or on the memory to display graphical information of the GUI on an external input/output device (such as a display device coupled to the interface). In some optional embodiments, if necessary, multiple processors and/or multiple buses can be used together with multiple memories and multiple memories. Similarly, multiple computer devices can be connected, and each device provides some necessary operations (for example, as a server array, a group of blade servers, or a multi-processor system). In Figure 10, a processor 10 is taken as an example.

处理器10可以是中央处理器，网络处理器或其组合。其中，处理器10还可以进一步包括硬件芯片。上述硬件芯片可以是专用集成电路，可编程逻辑器件或其组合。上述可编程逻辑器件可以是复杂可编程逻辑器件，现场可编程逻辑门阵列，通用阵列逻辑或其任意组合。The processor 10 may be a central processing unit, a network processor or a combination thereof. The processor 10 may further include a hardware chip. The hardware chip may be a dedicated integrated circuit, a programmable logic device or a combination thereof. The programmable logic device may be a complex programmable logic device, a field programmable gate array, a general purpose array logic or any combination thereof.

其中，存储器20存储有可由至少一个处理器10执行的指令，以使至少一个处理器10执行实现上述实施例示出的方法。The memory 20 stores instructions executable by at least one processor 10, so that at least one processor 10 executes the method shown in the above embodiment.

存储器20可以包括存储程序区和存储数据区，其中，存储程序区可存储操作系统、至少一个功能所需要的应用程序。存储数据区可存储根据计算机设备的使用所创建的数据等。此外，存储器20可以包括高速随机存取存储器，还可以包括非瞬时存储器，例如至少一个磁盘存储器件、闪存器件、或其他非瞬时固态存储器件。在一些可选的实施方式中，存储器20可选包括相对于处理器10远程设置的存储器，这些远程存储器可以通过网络连接至该计算机设备。上述网络的实例包括但不限于互联网、企业内部网、局域网、移动通信网及其组合。The memory 20 may include a program storage area and a data storage area, wherein the program storage area may store an operating system, an application required for at least one function. The data storage area may store data created according to the use of the computer device, etc. In addition, the memory 20 may include a high-speed random access memory, and may also include a non-transient memory, such as at least one disk storage device, a flash memory device, or other non-transient solid-state storage devices. In some optional embodiments, the memory 20 may optionally include a memory remotely arranged relative to the processor 10, and these remote memories may be connected to the computer device via a network. Examples of the above-mentioned network include, but are not limited to, the Internet, an intranet, a local area network, a mobile communication network, and combinations thereof.

存储器20可以包括易失性存储器，例如，随机存取存储器。存储器也可以包括非易失性存储器，例如，快闪存储器，硬盘或固态硬盘。存储器20还可以包括上述种类的存储器的组合。The memory 20 may include a volatile memory, such as a random access memory. The memory may also include a non-volatile memory, such as a flash memory, a hard disk or a solid state drive. The memory 20 may also include a combination of the above types of memory.

该计算机设备还包括通信接口30，用于该计算机设备与其他设备或通信网络通信。The computer device further comprises a communication interface 30 for the computer device to communicate with other devices or a communication network.

本发明实施例还提供了一种计算机可读存储介质，上述根据本发明实施例的方法可在硬件、固件中实现，或者被实现为可记录在存储介质，或者被实现通过网络下载的原始存储在远程存储介质或非暂时机器可读存储介质中并将被存储在本地存储介质中的计算机代码，从而在此描述的方法可被存储在使用通用计算机、专用处理器或者可编程或专用硬件的存储介质上的这样的软件处理。其中，存储介质可为磁碟、光盘、只读存储记忆体、随机存储记忆体、快闪存储器、硬盘或固态硬盘等；进一步地，存储介质还可以包括上述种类的存储器的组合。可以理解，计算机、处理器、微处理器控制器或可编程硬件包括可存储或接收软件或计算机代码的存储组件，当软件或计算机代码被计算机、处理器或硬件访问且执行时，实现上述实施例示出的方法。The embodiment of the present invention also provides a computer-readable storage medium. The method according to the embodiment of the present invention can be implemented in hardware, firmware, or can be implemented as a computer code that can be recorded in a storage medium, or can be implemented as a computer code that is originally stored in a remote storage medium or a non-temporary machine-readable storage medium and will be stored in a local storage medium through network download, so that the method described herein can be stored in such software processing on a storage medium using a general-purpose computer, a dedicated processor, or programmable or dedicated hardware. Among them, the storage medium can be a magnetic disk, an optical disk, a read-only storage memory, a random access memory, a flash memory, a hard disk or a solid-state hard disk, etc.; further, the storage medium can also include a combination of the above types of memories. It can be understood that a computer, a processor, a microprocessor controller or programmable hardware includes a storage component that can store or receive software or computer code. When the software or computer code is accessed and executed by a computer, a processor or hardware, the method shown in the above embodiment is implemented.

最后应说明的是：以上实施例仅用以说明本发明的技术方案，而非对其限制；尽管参照前述实施例对本发明进行了详细的说明，本领域的普通技术人员应当理解：其依然可以对前述各实施例所记载的技术方案进行修改，或者对其中部分技术特征进行等同替换；而这些修改或者替换，并不使相应技术方案的本质脱离本发明各实施例技术方案的精神和范围。Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention, rather than to limit it. Although the present invention has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or make equivalent replacements for some of the technical features therein. However, these modifications or replacements do not deviate the essence of the corresponding technical solutions from the spirit and scope of the technical solutions of the embodiments of the present invention.

Claims (9)

Translated fromChinese

1.一种晶体空位缺陷类型识别方法，其特征在于，所述方法包括：1. A method for identifying a crystal vacancy defect type, characterized in that the method comprises:获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，所述理论比例谱中包括峰位偏移量与正电子湮灭强度理论比的对应关系；Obtaining N theoretical ratio spectra corresponding one by one to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include a corresponding relationship between a peak position shift and a theoretical ratio of a positron annihilation intensity;确定N个所述理论比例谱在预设的峰位偏移量区间中的多个公共交点；Determining a plurality of common intersection points of the N theoretical ratio spectra in a preset peak position offset interval;根据所述公共交点，在所述峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；Determining peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval according to the common intersection point, wherein M is less than or equal to N;基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的第一实验比例谱，确定所述M个预期空位缺陷类型对应的分辨参数；Determining resolution parameters corresponding to the M expected vacancy defect types based on peak characteristic intervals corresponding to the M expected vacancy defect types and a first experimental ratio spectrum corresponding to the crystal sample;所述第一实验比例谱中包括峰位偏移量与正电子湮灭强度实验比之间的对应关系；所述基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的第一实验比例谱，确定所述M个预期空位缺陷类型对应的分辨参数，包括：The first experimental ratio spectrum includes a correspondence between a peak position shift and an experimental ratio of positron annihilation intensity; the determination of the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample includes:计算所述第一实验比例谱分别在每个所述峰位特征区间中的积分值，并分别作为相应预期空位缺陷类型的实验谱积分值，以得到所述M个预期空位缺陷类型的实验谱积分值；Calculating the integral values of the first experimental ratio spectrum in each of the peak characteristic intervals, and using them as the experimental spectrum integral values of the corresponding expected vacancy defect types, to obtain the experimental spectrum integral values of the M expected vacancy defect types;根据所述M个预期空位缺陷类型的实验谱积分值，确定所述M个预期空位缺陷类型对应的分辨参数；Determining, according to the experimental spectrum integral values of the M expected vacancy defect types, the resolution parameters corresponding to the M expected vacancy defect types;根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型。The actual vacancy defect type of the crystal sample is determined based on the resolution parameters corresponding to the M expected vacancy defect types.2.根据权利要求1所述的方法，其特征在于，所述根据所述公共交点，在所述峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间，包括：2. The method according to claim 1, characterized in that the step of determining, in the peak offset interval, peak characteristic intervals corresponding to M expected vacancy defect types according to the common intersection point comprises:根据所有所述公共交点对应的峰位偏移量，将所述峰位偏移量区间划分为相应的多个子区间；According to the peak offsets corresponding to all the common intersections, the peak offset interval is divided into a plurality of corresponding sub-intervals;针对任一所述划分区间，如果第一理论比例谱在所述划分区间中的正电子湮灭强度理论比大于其他所述理论比例谱在所述划分区间中的正电子湮灭强度理论比，则将所述划分区间确定为第一预期空位缺陷类型对应的峰位特征区间，以确定所述M个预期空位缺陷类型对应的峰位特征区间；For any of the divided intervals, if the theoretical ratio of positron annihilation intensity of the first theoretical ratio spectrum in the divided interval is greater than the theoretical ratio of positron annihilation intensity of other theoretical ratio spectra in the divided intervals, the divided interval is determined as the peak position characteristic interval corresponding to the first expected vacancy defect type, so as to determine the peak position characteristic intervals corresponding to the M expected vacancy defect types;其中，所述第一理论比例谱为N个所述理论比例谱中之一，所述第一预期空位缺陷类型为所述第一理论比例谱对应的所述预期空位缺陷类型。The first theoretical ratio spectrum is one of the N theoretical ratio spectra, and the first expected vacancy defect type is the expected vacancy defect type corresponding to the first theoretical ratio spectrum.3.根据权利要求1所述的方法，其特征在于，所述M个预期空位缺陷类型中包括第二预期空位缺陷类型；所述根据所述M个预期空位缺陷类型的实验谱积分值，确定所述M个预期空位缺陷类型对应的分辨参数，包括：3. The method according to claim 1, wherein the M expected vacancy defect types include a second expected vacancy defect type; and determining the resolution parameters corresponding to the M expected vacancy defect types according to the experimental spectrum integral values of the M expected vacancy defect types comprises:计算所述第二预期空位缺陷类型的每个实验谱积分值之和，得到第一和值；以及计算每个所述实验谱积分值之和，得到第二和值；Calculating the sum of each experimental spectrum integral value of the second expected vacancy defect type to obtain a first sum value; and calculating the sum of each experimental spectrum integral value to obtain a second sum value;计算所述第一和值减去目标积分值得到的差值；Calculate the difference between the first sum and the target integral value;确定所述差值与所述第二和值的比值，并作为所述第二预期空位缺陷类型对应的分辨参数；Determining a ratio of the difference to the second sum as a resolution parameter corresponding to the second expected vacancy defect type;其中，当所述第二预期空位缺陷类型对应的所述峰位特征区间中包括目标特征区间时，所述目标积分值包括所有所述实验谱积分值中除所述第二预期空位缺陷类型的实验谱积分值之外的实验谱积分值，所述目标特征区间为端点值最小的所述峰位特征区间；Wherein, when the peak characteristic interval corresponding to the second expected vacancy defect type includes a target characteristic interval, the target integral value includes the experimental spectrum integral values of all the experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type, and the target characteristic interval is the peak characteristic interval with the smallest endpoint value;当所述第二预期空位缺陷类型对应的所述峰位特征区间中未包括所述目标特征区间时，所述目标积分值包括所有所述实验谱积分值中除所述第二预期空位缺陷类型的实验谱积分值以及所述目标特征区间对应的所述实验谱积分值之外的实验谱积分值。When the target characteristic interval is not included in the peak characteristic interval corresponding to the second expected vacancy defect type, the target integral value includes the experimental spectrum integral values of all the experimental spectrum integral values except the experimental spectrum integral value of the second expected vacancy defect type and the experimental spectrum integral value corresponding to the target characteristic interval.4.根据权利要求3所述的方法，其特征在于，所述根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型，包括：4. The method according to claim 3, characterized in that the step of determining the true vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types comprises:在所述M个预期空位缺陷类型对应的分辨参数中，若目标预期空位缺陷类型对应的分辨参数远大于其他预期空位缺陷类型对应的分辨参数，则将所述目标预期空位缺陷类型中的每个预期空位缺陷类型作为所述晶体样品的真实空位缺陷类型；Among the resolution parameters corresponding to the M expected vacancy defect types, if the resolution parameter corresponding to the target expected vacancy defect type is much greater than the resolution parameters corresponding to other expected vacancy defect types, then each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;其中，所述目标预期空位缺陷类型包括所述M个预期空位缺陷类型中的至少一个所述预期空位缺陷类型。Wherein, the target expected vacancy defect type includes at least one of the M expected vacancy defect types.5.根据权利要求1所述的方法，其特征在于，所述第一实验比例谱为在所述晶体样品的第一深度处进行测试得到，所述M个预期空位缺陷类型对应的分辨参数包括所述M个预期空位缺陷类型在所述第一深度下对应的分辨参数；5. The method according to claim 1, characterized in that the first experimental ratio spectrum is obtained by testing at a first depth of the crystal sample, and the resolution parameters corresponding to the M expected vacancy defect types include the resolution parameters corresponding to the M expected vacancy defect types at the first depth;在所述确定所述M个预期空位缺陷类型对应的分辨参数之后，所述方法还包括：After determining the resolution parameters corresponding to the M expected vacancy defect types, the method further includes:基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的P个第二实验比例谱，确定所述M个预期空位缺陷类型对应的P组分辨参数；其中，所述第二实验比例谱为在所述晶体样品的一个第二深度处进行测试得到，所述分辨参数包括所述M个预期空位缺陷在所述晶体样品的一个第二深度下对应的分辨参数，所有所述第二深度、所述第一深度互不相同；Based on the peak characteristic intervals corresponding to the M expected vacancy defect types and the P second experimental ratio spectra corresponding to the crystal sample, determining P groups of resolution parameters corresponding to the M expected vacancy defect types; wherein the second experimental ratio spectrum is obtained by testing at a second depth of the crystal sample, and the resolution parameters include resolution parameters corresponding to the M expected vacancy defects at a second depth of the crystal sample, and all the second depths and the first depths are different from each other;根据所述M个预期空位缺陷类型在所述第一深度下对应的分辨参数以及所述P组分辨参数，确定所述M个预期空位缺陷类型对应的相对分辨参数。Relative resolution parameters corresponding to the M expected vacancy defect types are determined based on the resolution parameters corresponding to the M expected vacancy defect types at the first depth and the P group of resolution parameters.6.根据权利要求5所述的方法，其特征在于，所述M个预期空位缺陷类型中包括第三预期空位缺陷类型；所述根据所述M个预期空位缺陷类型在所述第一深度下对应的分辨参数以及所述P组分辨参数，确定所述M个预期空位缺陷类型对应的相对分辨参数，包括：6. The method according to claim 5, wherein the M expected vacancy defect types include a third expected vacancy defect type; and determining the relative resolution parameters corresponding to the M expected vacancy defect types according to the resolution parameters corresponding to the M expected vacancy defect types at the first depth and the P group of resolution parameters, comprises:从所述第三预期空位缺陷类型在所述第一深度和每个所述第二深度下对应的分辨参数中，确定出与损伤区对应的每个第一分辨参数以及与基体区对应的每个第二分辨参数；其中，所述损伤区为所述晶体样品中深度小于第一预设深度的区域，所述基体区为所述晶体样品中从第二预设深度至第三预设深度的区域，所述第三预设深度大于所述第二预设深度，所述第二预设深度大于所述第一预设深度；Determine, from the resolution parameters corresponding to the third expected vacancy defect type at the first depth and each of the second depths, each first resolution parameter corresponding to the damage area and each second resolution parameter corresponding to the matrix area; wherein the damage area is an area in the crystal sample with a depth less than a first preset depth, and the matrix area is an area in the crystal sample from the second preset depth to a third preset depth, the third preset depth is greater than the second preset depth, and the second preset depth is greater than the first preset depth;计算所有所述第一分辨参数的第一均值，以及计算所有所述第二分辨参数的第二均值；Calculating a first mean value of all the first resolution parameters, and calculating a second mean value of all the second resolution parameters;计算所述第一均值与所述第二均值的比值，并作为所述第三预期空位缺陷类型对应的相对分辨参数。A ratio of the first mean value to the second mean value is calculated and used as a relative resolution parameter corresponding to the third expected vacancy defect type.7.根据权利要求6所述的方法，其特征在于，所述根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型，包括：7. The method according to claim 6, characterized in that the step of determining the true vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types comprises:在所述M个预期空位缺陷类型对应的相对分辨参数中，若目标预期空位缺陷类型对应的相对分辨参数远大于其他预期空位缺陷类型对应的相对分辨参数，则将所述目标预期空位缺陷类型中的每个预期空位缺陷类型作为所述晶体样品的真实空位缺陷类型；Among the relative resolution parameters corresponding to the M expected vacancy defect types, if the relative resolution parameter corresponding to the target expected vacancy defect type is much greater than the relative resolution parameters corresponding to other expected vacancy defect types, then each expected vacancy defect type in the target expected vacancy defect type is taken as a true vacancy defect type of the crystal sample;其中，所述目标预期空位缺陷类型包括所述M个预期空位缺陷类型中的至少一个所述预期空位缺陷类型。Wherein, the target expected vacancy defect type includes at least one of the M expected vacancy defect types.8.根据权利要求4或7所述的方法，其特征在于，当所述目标预期空位缺陷类型包括所述M个预期空位缺陷类型中的多个预期空位缺陷类型时，在所述将所述目标预期空位缺陷类型中的每个预期空位缺陷类型作为所述晶体样品的真实空位缺陷类型之后，所述方法还包括：8. The method according to claim 4 or 7, characterized in that when the target expected vacancy defect type includes multiple expected vacancy defect types among the M expected vacancy defect types, after taking each expected vacancy defect type among the target expected vacancy defect types as the true vacancy defect type of the crystal sample, the method further comprises:根据每个所述真实空位缺陷类型对应的目标分辨参数，确定所述晶体样品中不同所述真实空位缺陷类型之间的空位数占比；其中，所述目标分辨参数为所述分辨参数或相对分辨参数。According to the target resolution parameter corresponding to each of the real vacancy defect types, the vacancy number ratio between the different real vacancy defect types in the crystal sample is determined; wherein the target resolution parameter is the resolution parameter or the relative resolution parameter.9.一种晶体空位缺陷类型识别装置，其特征在于，所述装置包括：9. A device for identifying crystal vacancy defect types, characterized in that the device comprises:获取单元，用于获取与晶体样品的N个预期空位缺陷类型一一对应的N个理论比例谱，所述理论比例谱中包括峰位偏移量与正电子湮灭强度理论比；An acquisition unit, used to acquire N theoretical ratio spectra corresponding to N expected vacancy defect types of the crystal sample, wherein the theoretical ratio spectra include a peak position shift and a theoretical ratio of a positron annihilation intensity;第一确定单元，用于确定N个所述理论比例谱在预设的峰位偏移量区间中的多个公共交点；A first determining unit is used to determine a plurality of common intersection points of the N theoretical ratio spectra in a preset peak position offset interval;第二确定单元，用于根据所述公共交点，在所述峰位偏移量区间中确定M个预期空位缺陷类型对应的峰位特征区间；其中，M小于等于N；A second determining unit is used to determine, according to the common intersection, peak characteristic intervals corresponding to M expected vacancy defect types in the peak offset interval; wherein M is less than or equal to N;第三确定单元，用于基于所述M个预期空位缺陷类型对应的峰位特征区间和所述晶体样品对应的第一实验比例谱，确定所述M个预期空位缺陷类型对应的分辨参数；a third determining unit, configured to determine the resolution parameters corresponding to the M expected vacancy defect types based on the peak position characteristic intervals corresponding to the M expected vacancy defect types and the first experimental ratio spectrum corresponding to the crystal sample;第一实验比例谱中包括峰位偏移量与正电子湮灭强度实验比之间的对应关系；第三确定单元，还用于：计算第一实验比例谱分别在每个峰位特征区间中的积分值，并分别作为相应预期空位缺陷类型的实验谱积分值，以得到M个预期空位缺陷类型的实验谱积分值；根据M个预期空位缺陷类型的实验谱积分值，确定M个预期空位缺陷类型对应的分辨参数；The first experimental ratio spectrum includes a correspondence between a peak position shift and an experimental ratio of positron annihilation intensity; the third determination unit is further used to: calculate the integral value of the first experimental ratio spectrum in each peak position characteristic interval, and use the integral value of the experimental spectrum of the corresponding expected vacancy defect type as the integral value of the experimental spectrum to obtain the integral values of the experimental spectrum of the M expected vacancy defect types; determine the resolution parameters corresponding to the M expected vacancy defect types according to the integral values of the experimental spectrum of the M expected vacancy defect types;第四确定单元，用于根据所述M个预期空位缺陷类型对应的分辨参数，确定所述晶体样品的真实空位缺陷类型。The fourth determination unit is used to determine the actual vacancy defect type of the crystal sample according to the resolution parameters corresponding to the M expected vacancy defect types.