单原子离子
单原子气体
Atom(片上系统)
热力学
合金
材料科学
嵌入原子模型
二进制数
极限(数学)
金属
简单(哲学)
原子物理学
物理
计算化学
化学
分子动力学
冶金
量子力学
计算机科学
嵌入式系统
数学分析
哲学
算术
数学
认识论
出处
期刊:Physical review
[American Physical Society]
日期:1989-06-15
卷期号:39 (17): 12554-12559
被引量:675
标识
DOI:10.1103/physrevb.39.12554
摘要
A simple analytic nearest-neighbor embedded-atom-method model developed for monatomic fcc metals has been extended to study alloying. The two-body potential between different species of atoms is taken as a function of the two-body potentials for the pure metals with a unique form which yields alloy models with the same invariance to electron density transformations as monatomic models. With several approximations, all model parameters are given by experimentally measured physical quantities. The dilute-limit heats of solution for all binary alloys of Cu, Ag, Au, Ni, Pd, and Pt have been calculated, with generally good agreement with available experimental values except for Pd, for which the calculated values are uniformly too high. The qualitative relationships between the physical parameters of the solute and solvent and the heat of solution have been determined.
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