DETERMINING ABINITIO INTERFACIAL ENERGETICS

被引：27

作者：

HONG, T ^{[1
]}

SMITH, JR ^{[1
]}

SROLOVITZ, DJ ^{[1
]}

GAY, JG ^{[1
]}

RICHTER, R ^{[1
]}

机构：

[1] GM CORP,RES LABS,DEPT PHYS,WARREN,MI 48090

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.45.8775

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An efficient ab initio method for determining ideal adhesive energy versus interfacial spacing is introduced. Cleavage, surface, and interfacial energies and strengths can be extracted from this adhesive curve. Results for Mo, Nb, V, and MoSi2 fall accurately on a single, universal curve. This method makes ab initio calculations for ideal interfacial properties tractable, requiring calculations at only four interfacial spacings.

引用

页码：8775 / 8778

页数：4

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