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Semi-empirical mass formula

From Wikipedia, the free encyclopedia
Formula to approximate nuclear mass based on nucleon counts
Nuclear physics
Nuclides' classification

Innuclear physics, thesemi-empirical mass formula (SEMF; sometimes also called theWeizsäcker formula,Bethe–Weizsäcker formula, orBethe–Weizsäcker mass formula to distinguish it from theBethe–Weizsäcker process) is used to approximate themass of anatomic nucleus from its number ofprotons andneutrons. As the name suggests, it is based partly ontheory and partly onempirical measurements. The formula represents theliquid-drop model proposed byGeorge Gamow,[1] which can account for most of the terms in the formula and gives rough estimates for the values of the coefficients. It was first formulated in 1935 by German physicistCarl Friedrich von Weizsäcker,[2] and although refinements have been made to the coefficients over the years, the structure of the formula remains the same today.

The formula gives a good approximation for atomic masses and thereby other effects. However, it fails to explain the existence of lines of greaterbinding energy at certain numbers of protons and neutrons. These numbers, known asmagic numbers, are the foundation of thenuclear shell model.

Liquid-drop model

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Illustration of the terms of the semi-empirical mass formula in the liquid-drop model of the atomic nucleus

The liquid-drop model was first proposed byGeorge Gamow and further developed byNiels Bohr,John Archibald Wheeler andLise Meitner.[3] It treats thenucleus as a drop ofincompressible fluid of very high density, held together by thenuclear force (a residual effect of thestrong force): there is a similarity to the structure of a spherical liquid drop. While a crude model, the liquid-drop model accounts for the spherical shape of most nuclei and makes a rough prediction of binding energy.

The corresponding mass formula is defined purely in terms of the numbers of protons and neutrons it contains. The original Weizsäcker formula defines five terms:

  • Volume energy, when an assembly of nucleons of the same size is packed together into the smallest volume, each interior nucleon has a certain number of other nucleons in contact with it. So, this nuclear energy is proportional to the volume.
  • Surface energy corrects for the previous assumption made that every nucleon interacts with the same number of other nucleons. This term is negative and proportional to the surface area, and is therefore roughly equivalent to liquidsurface tension.
  • Coulomb energy, the potential energy from each pair of protons. As this is a repelling force, the binding energy is reduced.
  • Asymmetry energy (also calledPauli energy), which accounts for thePauli exclusion principle. Unequal numbers of neutrons and protons imply filling higher energy levels for one type of particle, while leaving lower energy levels vacant for the other type.
  • Pairing energy, which accounts for the tendency ofproton pairs and neutron pairs to occur. An even number of particles is more stable than an odd number due tospin coupling.

Formula

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The binding energy per nucleon (inMeV) shown as a function of the neutron numberN and atomic numberZ as given by the semi-empirical mass formula. A dashed line is included to show nuclides that have been discovered by experiment.
The difference between the energies predicted and that of known binding energies, given in kiloelectronvolts. Phenomena present can be explained by further subtle terms, but the mass formula cannot explain the presence of lines, clearly identifiable by sharp peaks in contours.

The mass of an atomic nucleus, forN{\displaystyle N}neutrons,Z{\displaystyle Z}protons, and thereforeA=N+Z{\displaystyle A=N+Z}nucleons, is given by

m=Nmn+ZmpEB(N,Z)c2,{\displaystyle m=Nm_{\text{n}}+Zm_{\text{p}}-{\frac {E_{\text{B}}(N,Z)}{c^{2}}},}

wheremn{\displaystyle m_{\text{n}}} andmp{\displaystyle m_{\text{p}}} are the rest mass of a neutron and a proton respectively, andEB{\displaystyle E_{\text{B}}} is thebinding energy of the nucleus. The semi-empirical mass formula states the binding energy is[4]

EB=aVAaSA2/3aCZ(Z1)A1/3aA(NZ)2A±δ(N,Z).{\displaystyle E_{\text{B}}=a_{\text{V}}A-a_{\text{S}}A^{2/3}-a_{\text{C}}{\frac {Z(Z-1)}{A^{1/3}}}-a_{\text{A}}{\frac {(N-Z)^{2}}{A}}\pm \delta (N,Z).}

Theδ(N,Z){\displaystyle \delta (N,Z)} term is either zero or±δ0{\displaystyle \pm \delta _{0}}, depending on theparity ofN{\displaystyle N} andZ{\displaystyle Z}, whereδ0=aPAkP{\displaystyle \delta _{0}={a_{\text{P}}}{A^{k_{\text{P}}}}} for some exponentkP{\displaystyle k_{\text{P}}}. Note that asA=N+Z{\displaystyle A=N+Z}, the numerator of theaA{\displaystyle a_{\text{A}}} term can be rewritten as(A2Z)2{\displaystyle (A-2Z)^{2}}.

Each of the terms in this formula has a theoretical basis. The coefficientsaV{\displaystyle a_{\text{V}}},aS{\displaystyle a_{\text{S}}},aC{\displaystyle a_{\text{C}}},aA{\displaystyle a_{\text{A}}}, andaP{\displaystyle a_{\text{P}}} are determined empirically; while they may be derived from experiment, they are typically derived fromleast-squares fit to contemporary data. While typically expressed by its basic five terms, further terms exist to explain additional phenomena. Akin to how changing a polynomial fit will change its coefficients, the interplay between these coefficients as new phenomena are introduced is complex; some terms influence each other, whereas theaP{\displaystyle a_{\text{P}}} term is largely independent.[5]

Volume term

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The termaVA{\displaystyle a_{\text{V}}A} is known as thevolume term. The volume of the nucleus is proportional toA, so this term is proportional to the volume, hence the name.

The basis for this term is thestrong nuclear force. The strong force affects both protons and neutrons, and as expected, this term is independent ofZ. Because the number of pairs that can be taken fromA particles isA(A1)/2{\displaystyle A(A-1)/2}, one might expect a term proportional toA2{\displaystyle A^{2}}. However, the strong force has a very limited range, and a given nucleon may only interact strongly with its nearest neighbors and next nearest neighbors. Therefore, the number of pairs of particles that actually interact is roughly proportional toA, giving the volume term its form.

The coefficientaV{\displaystyle a_{\text{V}}} is smaller than the binding energy possessed by the nucleons with respect to their neighbors (Eb{\displaystyle E_{\text{b}}}), which is of order of 40 MeV. This is because the larger the number ofnucleons in the nucleus, the larger theirkinetic energy is, due to thePauli exclusion principle. If one treats the nucleus as aFermi ball ofA{\displaystyle A}nucleons, with equal numbers of protons and neutrons, then the total kinetic energy is35AεF{\displaystyle {\tfrac {3}{5}}A\varepsilon _{\text{F}}}, withεF{\displaystyle \varepsilon _{\text{F}}} theFermi energy, which isestimated as 38 MeV. Thus the expected value ofaV{\displaystyle a_{\text{V}}} in this model isEb35εF17 MeV,{\displaystyle E_{\text{b}}-{\tfrac {3}{5}}\varepsilon _{\text{F}}\sim 17~\mathrm {MeV} ,} not far from the measured value.

Surface term

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The termaSA2/3{\displaystyle a_{\text{S}}A^{2/3}} is known as thesurface term. This term, also based on the strong force, is a correction to the volume term.

The volume term suggests that each nucleon interacts with a constant number of nucleons, independent ofA. While this is very nearly true for nucleons deep within the nucleus, those nucleons on the surface of the nucleus have fewer nearest neighbors, justifying this correction. This can also be thought of as a surface-tension term, and indeed a similar mechanism createssurface tension in liquids.

If the volume of the nucleus is proportional toA, then the radius should be proportional toA1/3{\displaystyle A^{1/3}} and the surface area toA2/3{\displaystyle A^{2/3}}. This explains why the surface term is proportional toA2/3{\displaystyle A^{2/3}}. It can also be deduced thataS{\displaystyle a_{\text{S}}} should have a similar order of magnitude toaV{\displaystyle a_{\text{V}}}.

Coulomb term

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The termaCZ(Z1)A1/3{\displaystyle a_{\text{C}}{\frac {Z(Z-1)}{A^{1/3}}}} oraCZ2A1/3{\displaystyle a_{\text{C}}{\frac {Z^{2}}{A^{1/3}}}} is known as theCoulomb orelectrostatic term.

The basis for this term is theelectrostatic repulsion between protons. To a very rough approximation, the nucleus can be considered a sphere of uniformcharge density. Thepotential energy of such a charge distribution can be shown to be

E=3514πε0Q2R,{\displaystyle E={\frac {3}{5}}{\frac {1}{4\pi \varepsilon _{0}}}{\frac {Q^{2}}{R}},}

whereQ is the total charge, andR is the radius of the sphere. The value ofaC{\displaystyle a_{\text{C}}} can be approximately calculated by using this equation to calculate the potential energy, using anempirical nuclear radius ofRr0A13{\displaystyle R\approx r_{0}A^{\frac {1}{3}}} andQ =Ze. However, because electrostatic repulsion will only exist for more than one proton,Z2{\displaystyle Z^{2}} becomesZ(Z1){\displaystyle Z(Z-1)}:

E=3514πε0Q2R=3514πε0(Ze)2r0A1/3=3e2Z220πε0r0A1/33e2Z(Z1)20πε0r0A1/3=aCZ(Z1)A1/3,{\displaystyle E={\frac {3}{5}}{\frac {1}{4\pi \varepsilon _{0}}}{\frac {Q^{2}}{R}}={\frac {3}{5}}{\frac {1}{4\pi \varepsilon _{0}}}{\frac {(Ze)^{2}}{r_{0}A^{1/3}}}={\frac {3e^{2}Z^{2}}{20\pi \varepsilon _{0}r_{0}A^{1/3}}}\approx {\frac {3e^{2}Z(Z-1)}{20\pi \varepsilon _{0}r_{0}A^{1/3}}}=a_{\text{C}}{\frac {Z(Z-1)}{A^{1/3}}},}

where now the electrostatic Coulomb constantaC{\displaystyle a_{\text{C}}} is

aC=3e220πε0r0.{\displaystyle a_{\text{C}}={\frac {3e^{2}}{20\pi \varepsilon _{0}r_{0}}}.}

Using thefine-structure constant, we can rewrite the value ofaC{\displaystyle a_{\text{C}}} as

aC=35cαr0=35RPr0αmpc2,{\displaystyle a_{\text{C}}={\frac {3}{5}}{\frac {\hbar c\alpha }{r_{0}}}={\frac {3}{5}}{\frac {R_{\text{P}}}{r_{0}}}\alpha m_{\text{p}}c^{2},}

whereα{\displaystyle \alpha } is the fine-structure constant, andr0A1/3{\displaystyle r_{0}A^{1/3}} is theradius of a nucleus, givingr0{\displaystyle r_{0}} to be approximately 1.25 femtometers.RP{\displaystyle R_{\text{P}}} is the protonreduced Compton wavelength, andmp{\displaystyle m_{\text{p}}} is the proton mass. This givesaC{\displaystyle a_{\text{C}}} an approximate theoretical value of 0.691 MeV, not far from the measured value.

Asymmetry term

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Illustration of basis for asymmetric term
Illustration of basis for asymmetric term

The termaA(NZ)2A{\displaystyle a_{\text{A}}{\frac {(N-Z)^{2}}{A}}} is known as theasymmetry term (orPauli term).

The theoretical justification for this term is more complex. ThePauli exclusion principle states that no twoidenticalfermions can occupy exactly the samequantum state in an atom. At a given energy level, there are only finitely many quantum states available for particles. What this means in the nucleus is that as more particles are "added", these particles must occupy higher energy levels, increasing the total energy of the nucleus (and decreasing the binding energy). Note that this effect is not based on any of the fundamental forces (gravitational, electromagnetic, etc.), only the Pauli exclusion principle.

Protons and neutrons, being distinct types of particles, occupy different quantum states. One can think of two different "pools" of states – one for protons and one for neutrons. Now, for example, if there are significantly more neutrons than protons in a nucleus, some of the neutrons will be higher in energy than the available states in the proton pool. If we could move some particles from the neutron pool to the proton pool, in other words, change some neutrons into protons, we would significantly decrease the energy. The imbalance between the number of protons and neutrons causes the energy to be higher than it needs to be,for a given number of nucleons. This is the basis for the asymmetry term.

The actual form of the asymmetry term can again be derived by modeling the nucleus as a Fermi ball of protons and neutrons. Its total kinetic energy is

Ek=35(ZεF,p+NεF,n),{\displaystyle E_{\text{k}}={\frac {3}{5}}(Z\varepsilon _{\text{F,p}}+N\varepsilon _{\text{F,n}}),}

whereεF,p{\displaystyle \varepsilon _{\text{F,p}}} andεF,n{\displaystyle \varepsilon _{\text{F,n}}} are theFermi energies of the protons and neutrons. Since these are proportional toZ2/3{\displaystyle Z^{2/3}} andN2/3{\displaystyle N^{2/3}} respectively, one gets

Ek=C(Z5/3+N5/3){\displaystyle E_{\text{k}}=C(Z^{5/3}+N^{5/3})} for some constantC.

The leading terms in the expansion in the differenceNZ{\displaystyle N-Z} are then

Ek=C22/3(A5/3+59(NZ)2A1/3)+O((NZ)4).{\displaystyle E_{\text{k}}={\frac {C}{2^{2/3}}}\left(A^{5/3}+{\frac {5}{9}}{\frac {(N-Z)^{2}}{A^{1/3}}}\right)+O{\big (}(N-Z)^{4}{\big )}.}

At the zeroth order in the expansion the kinetic energy is just the overallFermi energyεFεF,p=εF,n{\displaystyle \varepsilon _{\text{F}}\equiv \varepsilon _{\text{F,p}}=\varepsilon _{\text{F,n}}} multiplied by35A{\displaystyle {\tfrac {3}{5}}A}. Thus we get

Ek=35εFA+13εF(NZ)2A+O((NZ)4).{\displaystyle E_{\text{k}}={\frac {3}{5}}\varepsilon _{\text{F}}A+{\frac {1}{3}}\varepsilon _{\text{F}}{\frac {(N-Z)^{2}}{A}}+O{\big (}(N-Z)^{4}{\big )}.}

The first term contributes to the volume term in the semi-empirical mass formula, and the second term is minus the asymmetry term (remember, the kinetic energy contributes to the total binding energy with anegative sign).

εF{\displaystyle \varepsilon _{\text{F}}} is 38MeV, so calculatingaA{\displaystyle a_{\text{A}}} from the equation above, we get only half the measured value. The discrepancy is explained by our model not being accurate: nucleons in fact interact with each other and are not spread evenly across the nucleus. For example, in theshell model, a proton and a neutron with overlappingwavefunctions will have a greaterstrong interaction between them and stronger binding energy. This makes it energetically favourable (i.e. having lower energy) for protons and neutrons to have the same quantum numbers (other thanisospin), and thus increase the energy cost of asymmetry between them.

One can also understand the asymmetry term intuitively as follows. It should be dependent on theabsolute difference|NZ|{\displaystyle |N-Z|}, and the form(NZ)2{\displaystyle (N-Z)^{2}} is simple anddifferentiable, which is important for certain applications of the formula. In addition, small differences betweenZ andN do not have a high energy cost. TheA in the denominator reflects the fact that a given difference|NZ|{\displaystyle |N-Z|} is less significant for larger values ofA.

Pairing term

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Magnitude of the pairing term in the total binding energy for even–even and odd–odd nuclei, as a function of mass number. Two fits are shown (blue and red line). The pairing term (positive for even–even and negative for odd–odd nuclei) was derived from binding energy data.[6]

The termδ(A,Z){\displaystyle \delta (A,Z)} is known as thepairing term (possibly also known as the pairwise interaction). This term captures the effect ofspin coupling. It is given by[7]

δ(A,Z)={+δ0for even Z,N (even A),0for odd A,δ0for odd Z,N (even A),{\displaystyle \delta (A,Z)={\begin{cases}+\delta _{0}&{\text{for even }}Z,N~({\text{even }}A),\\0&{\text{for odd }}A,\\-\delta _{0}&{\text{for odd }}Z,N~({\text{even }}A),\end{cases}}}

whereδ0{\displaystyle \delta _{0}} is found empirically to have a value of about 1000 keV, slowly decreasing with mass number A. Odd-odd nuclei tend to undergobeta decay to an adjacent even-even nucleus by changing a neutron to a proton or vice versa. The pairs have overlapping wave functions and sit very close together with a bond stronger than any other configuration.[7] When the pairing term is substituted into the binding energy equation, for evenZ,N, the pairing term adds binding energy, and for oddZ,N the pairing term removes binding energy.

The dependence onmass number is commonly parametrized as

δ0=aPAkP.{\displaystyle \delta _{0}=a_{\text{P}}A^{k_{\text{P}}}.}

The value of the exponentkP is determined from experimental binding-energy data. In the past its value was often assumed to be −3/4, but modern experimental data indicate that a value of −1/2 is nearer the mark:

δ0=aPA1/2{\displaystyle \delta _{0}=a_{\text{P}}A^{-1/2}} orδ0=aPA3/4.{\displaystyle \delta _{0}=a_{\text{P}}A^{-3/4}.}

Due to thePauli exclusion principle the nucleus would have a lower energy if the number of protons with spin up were equal to the number of protons with spin down. This is also true for neutrons. Only if bothZ andN are even, can both protons and neutrons have equal numbers of spin-up and spin-down particles. This is a similar effect to the asymmetry term.

The factorAkP{\displaystyle A^{k_{\text{P}}}} is not easily explained theoretically. The Fermi-ball calculation we have used above, based on the liquid-drop model but neglecting interactions, will give anA1{\displaystyle A^{-1}} dependence, as in the asymmetry term. This means that the actual effect for large nuclei will be larger than expected by that model. This should be explained by the interactions between nucleons. For example, in theshell model, two protons with the same quantum numbers (other thanspin) will have completely overlappingwavefunctions and will thus have greaterstrong interaction between them and stronger binding energy. This makes it energetically favourable (i.e. having lower energy) for protons to form pairs of opposite spin. The same is true for neutrons.

Calculating coefficients

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The coefficients are calculated by fitting to experimentally measured masses of nuclei. Their values can vary depending on how they are fitted to the data and which unit is used to express the mass. Several examples are as shown below.

Eisberg & Resnick[8]Least-squares fit (1)Least-squares fit (2)[9]Rohlf[10]Wapstra[11]
unitDaMeVMeVMeVMeV
aV{\displaystyle a_{\rm {V}}}0.0169115.815.7615.7514.1
aS{\displaystyle a_{\rm {S}}}0.0191118.317.8117.813
aC{\displaystyle a_{\rm {C}}}0.000763[α]0.7140.7110.7110.595
aA{\displaystyle a_{\rm {A}}}0.10175[β]23.223.70223.719
aP{\displaystyle a_{\rm {P}}}0.012123411.1833.5
kP{\displaystyle k_{\rm {P}}}−1/2−1/2−3/4−1/2−3/4
δ0{\displaystyle \delta _{0}} (even-even)0.012A1/2{\displaystyle -0.012 \over A^{1/2}}+12A1/2{\displaystyle +12 \over A^{1/2}}+34A3/4{\displaystyle +34 \over A^{3/4}}+11.18A1/2{\displaystyle +11.18 \over A^{1/2}}+33.5A3/4{\displaystyle +33.5 \over A^{3/4}}
δ0{\displaystyle \delta _{0}} (odd-odd)+0.012A1/2{\displaystyle +0.012 \over A^{1/2}}12A1/2{\displaystyle -12 \over A^{1/2}}34A3/4{\displaystyle -34 \over A^{3/4}}11.18A1/2{\displaystyle -11.18 \over A^{1/2}}33.5A3/4{\displaystyle -33.5 \over A^{3/4}}
δ0{\displaystyle \delta _{0}} (even-odd, odd-even)00000
  1. ^This model usesZ2{\displaystyle Z^{2}} in the numerator of the Coulomb term.
  2. ^This model uses(ZA/2)2{\displaystyle (Z-A/2)^{2}} in the numerator of the Asymmetry term.

The formula does not consider the internalshell structure of the nucleus.

The semi-empirical mass formula therefore provides a good fit to heavier nuclei, and a poor fit to very light nuclei, especially4He. For light nuclei, it is usually better to use a model that takes this shell structure into account.

Examples of consequences of the formula

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By maximizingEb(A,Z) with respect toZ, one would find the bestneutron–proton ratioN/Z for a given atomic weightA.[10] We get

N/Z1+aC2aAA2/3.{\displaystyle N/Z\approx 1+{\frac {a_{\text{C}}}{2a_{\text{A}}}}A^{2/3}.}

This is roughly 1 for light nuclei, but for heavy nuclei the ratio grows in good agreement withexperiment.

By substituting the above value ofZ back intoEb, one obtains the binding energy as a function of the atomic weight,Eb(A).MaximizingEb(A)/A with respect toA gives the nucleus which is most strongly bound, i.e. most stable. The value we get isA = 63 (copper), close to themeasured values ofA = 62 (nickel) andA = 58 (iron).

The liquid-drop model also allows the computation offission barriers for nuclei, which determine the stability of a nucleus againstspontaneous fission. It was originally speculated that elements beyond atomic number104 could not exist, as they would undergo fission with very short half-lives,[12] though this formula did not consider stabilizing effects of closednuclear shells. A modified formula considering shell effects reproduces known data and the predictedisland of stability (in which fission barriers and half-lives are expected to increase, reaching a maximum at the shell closures), though also suggests a possible limit to existence of superheavy nuclei beyondZ = 120 andN = 184.[12]

References

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  1. ^Gamow, George (1930)."Mass Defect Curve and Nuclear Constitution".Proceedings of the Royal Society A.126 (803):632–644.Bibcode:1930RSPSA.126..632G.doi:10.1098/rspa.1930.0032.JSTOR 95297.
  2. ^von Weizsäcker, C. F. (1935). "Zur Theorie der Kernmassen".Zeitschrift für Physik (in German).96 (7–8):431–458.Bibcode:1935ZPhy...96..431W.doi:10.1007/BF01337700.S2CID 118231854.
  3. ^Sartori, E. (2006).Histoire des femmes scientifiques de l'Antiquité au XXe siècle (Plon ed.). Paris. pp. 326–328.ISBN 2-259-20288-8.{{cite book}}: CS1 maint: location missing publisher (link)
  4. ^Oregon State University."Nuclear Masses and Binding Energy Lesson 3"(PDF). Archived fromthe original(PDF) on 30 September 2015. Retrieved30 September 2015.
  5. ^Kirson, Michael W. (2008-01-01). "Mutual influence of terms in a semi-empirical mass formula".Nuclear Physics A.798 (1):29–60.Bibcode:2008NuPhA.798...29K.doi:10.1016/j.nuclphysa.2007.10.011.ISSN 0375-9474.
  6. ^Audi, G.; Wang, M.; Wapstra, A.H.; Kondev, F.G.; MacCormick, M.; Xu, X.; Pfeiffer, B. (2012). "The Ame2012 atomic mass evaluation".Chinese Physics C.36 (12):1287–1602.Bibcode:2012ChPhC..36....2A.doi:10.1088/1674-1137/36/12/002.
  7. ^abMartin, B. R.; G. Shaw (2019).Nuclear and particle physics: an introduction (Third ed.). Hoboken, NJ. p. 62.ISBN 978-1-119-34462-9.OCLC 1078954632.{{cite book}}: CS1 maint: location missing publisher (link)
  8. ^Eisberg, Robert;Resnick, Robert (1985).Quantum Physics of Atoms, Molecules, Solids, Nuclei, and Particles (Second ed.). John Wiley & Sons. p. 528.ISBN 0-471-87373-X.
  9. ^Alonso, Marcelo; Finn, Edward J. (1969).Fundamental University Physics. Vol. III. Quantum and Statistical Physics.Addison-Wesley Publishing Company. p. 297.
  10. ^abRohlf, J. W. (1994).Modern Physics from α to Z0.John Wiley & Sons.ISBN 978-0471572701.
  11. ^Wapstra, A. H. (1958). "Atomic Masses of Nuclides". In Flügge, S. (ed.).External Properties of Atomic Nuclei / Äussere Eigenschaften der Atomkerne. Encyclopedia of Physics. Vol. 8 / 38 / 1.Springer. pp. 1–37.Bibcode:1958HDP....38....1W.doi:10.1007/978-3-642-45901-6_1.ISBN 978-3-642-45902-3.{{cite book}}:ISBN / Date incompatibility (help)
  12. ^abMöller, P. (2016)."The limits of the nuclear chart set by fission and alpha decay"(PDF).EPJ Web of Conferences.131: 03002:1–8.Bibcode:2016EPJWC.13103002M.doi:10.1051/epjconf/201613103002.

Sources

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