锡
绝热过程
热力学
材料科学
Atom(片上系统)
大气温度范围
金属
物理
冶金
计算机科学
嵌入式系统
作者
R. Ravelo,M. I. Baskes
标识
DOI:10.1103/physrevlett.79.2482
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 $\ensuremath{\alpha}\ensuremath{\rightarrow}\ensuremath{\beta}$ and $\ensuremath{\beta}\ensuremath{\rightarrow}\mathrm{liquid}$ 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 range of densities.
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