原子间势
合金
二进制数
Atom(片上系统)
嵌入原子模型
材料科学
热力学
形式主义(音乐)
高熵合金
分子动力学
化学
冶金
计算化学
物理
视觉艺术
嵌入式系统
数学
艺术
音乐剧
算术
计算机科学
作者
Won-Mi Choi,Yongmin Kim,Donghyuk Seol,Byeong‐Joo Lee
标识
DOI:10.1016/j.commatsci.2017.01.002
摘要
Interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems have been developed in the framework of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials describe various fundamental alloy behaviors (structural, elastic and thermodynamic behavior of solution and compound phases), mostly in reasonable agreements with experimental data or first-principles calculations. The potentials can be utilized to complete the interatomic potential for the CoCrFeMnNi alloy and to investigate the atomic scale physical metallurgy of high entropy alloys.
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