COMPUTER-SIMULATION OF VACANCY PROPERTIES IN TWIN BOUNDARIES IN HCP METALS

被引：8

作者：

DEDIEGO, N ^{[1
]}

BACON, DJ ^{[1
]}

机构：

[1] UNIV LIVERPOOL,DEPT MAT SCI & ENGN,LIVERPOOL L69 3BX,ENGLAND

来源：

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES | 1991年 / 63卷 / 05期

关键词：

D O I：

10.1080/01418619108213921

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The influence of boundaries on vacancy properties in interfaces has been considered for the case of twin boundaries in the h.c.p. structure. Twinning is a common Occurrence in the h.c.p. metals and the atomic structure of several boundaries has been well characterized by recent computer modelling. In the present work, the formation and migration energies of vacancies have been investigated in {101BAR1}, {101BAR2}, {112BAR1} and {112BAR2} boundaries in a model with near-ideal c/a ratio. It is found that, even though the atomic density at these interfaces is close to perfect, the vacancy formation energy can be reduced by up to 27% and the migration energy by up to 50% from the single-crystal values. These results arc discussed in terms of the crystallography of the interfaces and the hydrostatic component of internal stress at individual atomic sites, but these features provide only a partial explanation of the results found.

引用

页码：873 / 882

页数：10

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