Equilibrium and thermodynamic properties of grey, white, and liquid tin

被引:144
作者
Ravelo, R
Baskes, M
机构
[1] UNIV TEXAS,INST MAT RES,EL PASO,TX 79968
[2] SANDIA NATL LABS,MAT RELIABIL DEPT,LIVERMORE,CA 94551
关键词
D O I
10.1103/PhysRevLett.79.2482
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The thermodynamic properties of various phases of tin are calculated employing the method of adiabatic switching with modified embedded atom method (MEAM) potentials. The experimental alpha --> beta and beta --> liquid transition temperatures are reproduced within an 11% accuracy. Good agreement with experiments is also obtained for other thermodynamic quantities. We demonstrate the versatility and accuracy of MEAM by how well it reproduces both metallic and covalent phases of tin over a wide temperature range and over a wide ranee of densities.
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页码:2482 / 2485
页数:4
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