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First-principles Study on Equilibrium Sn Isotope Fractionations in Hydrothermal Fluids 被引量:1
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作者 SUN Mingguang Ryan MATHUR +2 位作者 CHEN Yanjing YUAN Shunda WANG Jiaxin 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2022年第6期2125-2134,共10页
Tin(Sn)isotope geochemistry has great potential in tracing geological processes.However,lack of equilibrium Sn isotope fractionation factors of various Sn species limits the development of Sn isotope geochemistry.Equi... Tin(Sn)isotope geochemistry has great potential in tracing geological processes.However,lack of equilibrium Sn isotope fractionation factors of various Sn species limits the development of Sn isotope geochemistry.Equilibrium Sn isotope fractionation factors(124Sn/116Sn and 122Sn/116Sn)among various Sn(II,IV)complexes in aqueous solution were calculated using first-principles calculations.The results show that the oxidation states and the change of Sn(II,IV)species in hydrothermal fluids are the main factors leading to tin isotope fractionation in hydrothermal systems.For the Sn(IV)complexes,Sn isotope fractionation factors depend on the number of H2O molecules.For the Sn(II)complexes,the Sn isotope fractionation between Sn(II)−F,Sn(II)−Cl and Sn(II)−OH complexes is mainly affected by the bond length and the coordination number of anion,whereas the difference in 1000lnβvalues of Sn(II)−SO4 and Sn(II)−CO_(3) complexes is insignificant with the change of anion coordination number.By comparing the 1000lnβvalues of all Sn(II,IV)complexes,the enrichment trend in heavy Sn isotopes is Sn(IV)complexes>Sn(II)complexes.The equilibrium Sn isotopic fractionation factors enhance our understanding of the tin transportation and enrichment processes in hydrothermal systems. 展开更多
关键词 sn isotope isotope fractionation first principles tin species
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Nuclear chart in covariant density functional theory with dynamic correlations: From oxygen to tin
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作者 Yi-Long Yang Ya-Kun Wang 《Chinese Physics C》 SCIE CAS CSCD 2020年第3期73-79,共7页
Nuclear masses of even-even nuclei with the proton number 8≤Z≤50(O to Sn isotopes)from the proton drip line to neutron drip line are investigated using the triaxial relativistic Hartree-Bogoliubov theory with the re... Nuclear masses of even-even nuclei with the proton number 8≤Z≤50(O to Sn isotopes)from the proton drip line to neutron drip line are investigated using the triaxial relativistic Hartree-Bogoliubov theory with the relativistic density functional PC-PK1.Further,the dynamical correlation energies(DCEs)associated with the rotational motion and quadrupole-shaped vibrational motion are taken into account by the five-dimensional collective Hamiltonian(5DCH)method.The root-mean-square deviation with respect to the experimental masses reduces from 2.50 to 1.59 MeV after the consideration of DCEs.The inclusion of DCEs has little influence on the position of drip lines,and the predicted numbers of bound even-even nuclei between proton and neutron drip lines from O to Sn isotopes are 569 and 564 with and without DCEs,respectively. 展开更多
关键词 nuclear mass table covariant density functionals triaxial relativistic Hartree-Bogoliubov theory O to sn isotopes
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Fitting Single Particle Energies in sdgh Major Shell
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作者 Erdal Dikmen Oguz ztrk Yavuz Cengiz 《Communications in Theoretical Physics》 SCIE CAS CSCD 2015年第2期222-228,共7页
We have performed two kinds of non-linear fitting procedures to the single-particle energies in the sdgh major shell to obtain better shell model results. The low-lying energy eigenvaiues of the light Sn isotopes with... We have performed two kinds of non-linear fitting procedures to the single-particle energies in the sdgh major shell to obtain better shell model results. The low-lying energy eigenvaiues of the light Sn isotopes with A = 103 - 110 in the sdgh-shell are calculated in the framework of the nuclear shell model by using CD-Bonn two-body effective nucleon- nucleon interaction. The obtained energy eigenvalues are fitted to the corresponding experimental values by using two different non-linear fitting procedures, i.e., downhill simplex method and clonai selection method. The unknown single-particle energies of the states 2s1/2, ld3/2, and Oh11/2 are used in the fitting methods to obtain better spectra of the 104,106,108,110Sn isotopes, We compare the energy spectra of the 104,106,108,110Sn and 103,105,107,109Sn isotopes with/without a nonlinear fit to the experimental results. 展开更多
关键词 shell model optimization of single-particle energies sn isotopes
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