ATOMIC-SCALE STRUCTURAL EFFECTS ON SOLUTE-ATOM SEGREGATION AT GRAIN-BOUNDARIES

被引：28

作者：

RITTNER, JD

UDLER, D

SEIDMAN, DN

OH, Y

机构：

[1] Department of Materials Science and Engineering, Northwestern University, Evanston

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 74卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.74.1115

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The connections between grain boundary (GB) structure and segregation are elucidated for a=5(310) tilt GB, for a Pt-1 at.% Au alloy, at 850 K. The binding free energy of segregation at specific sites in the |C| and |C′| structures is calculated using the overlapping distributions Monte Carlo method and indirectly via Monte Carlo simulations. The segregation free energy profiles for the |C| and |C′| structures are very different. The adsorptive capacity for solute of the |C| and |C′| tilt GB structures are compared to the same quantity for a=5(002) twist GB between 850 and 1650 K. © 1995 The American Physical Society.

引用

页码：1115 / 1118

页数：4

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