Thermodynamic optimization of the Li–Pb system aided by first-principles calculations
作者： Chenyang Zhou , Cuiping Guo , Changrong Li , Zhenmin Du
DOI: 10.1016/J.JNUCMAT.2016.04.061
关键词: Solubility 、 CALPHAD 、 Physical chemistry 、 Phase diagram 、 Stoichiometry 、 Thermodynamics 、 Standard enthalpy of formation 、 Work (thermodynamics) 、 Liquid phase 、 Chemistry 、 Intermetallic
摘要: … intermetallic compounds Li 4 Pb (Li 22 Pb 5 ), Li 7 Pb 2 , Li 10 Pb 3 , Li 3 Pb, Li 8 Pb 3 , Li 5 Pb 2 , αLiPb and βLiPb at 0 K were calculated from first-principles … intermetallic compounds Li …
harvard.edu
sci-hub.se 参考文章(45)
C.H. Henager, B.N. Nguyen, R.J. Kurtz, T.J. Roosendaal, B.A. Borlaug, M. Ferraris, A. Ventrella, Y. Katoh, Modeling and testing miniature torsion specimens for SiC joining development studies for fusion Journal of Nuclear Materials. ,vol. 466, pp. 253- 268 ,(2015) , 10.1016/J.JNUCMAT.2015.07.044
C.H. Wu, The interaction of hydrogen isotopes with lithium-lead alloys Journal of Nuclear Materials. ,vol. 123, pp. 941- 945 ,(1984) , 10.1016/0022-3115(84)90199-5
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
A. Zalkin, W. J. Ramsey, Intermetallic compounds between lithium and lead. IV. The crystal structure of Li22 Pb5 The Journal of Physical Chemistry. ,vol. 62, pp. 1275- 1277 ,(1956) , 10.1021/J150564A013
Henner Ruppersberg, Hans Egger, Short‐range order in liquid Li–Pb alloys Journal of Chemical Physics. ,vol. 63, pp. 4095- 4103 ,(1975) , 10.1063/1.431179
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
E. Mas de les Valls, L.A. Sedano, L. Batet, I. Ricapito, A. Aiello, O. Gastaldi, F. Gabriel, Lead–lithium eutectic material database for nuclear fusion technology Journal of Nuclear Materials. ,vol. 376, pp. 353- 357 ,(2008) , 10.1016/J.JNUCMAT.2008.02.016
Michael Hoch, The solubility of hydrogen, deuterium and tritium in liquid lead-lithium alloys Journal of Nuclear Materials. ,vol. 120, pp. 102- 112 ,(1984) , 10.1016/0022-3115(84)90177-6
Otto Redlich, A. T. Kister, Algebraic Representation of Thermodynamic Properties and the Classification of Solutions Industrial & Engineering Chemistry. ,vol. 40, pp. 345- 348 ,(1948) , 10.1021/IE50458A036