HEAT OF SEGREGATION OF SINGLE SUBSTITUTIONAL IMPURITIES

被引:24
作者
BOZZOLO, G [1 ]
GOOD, B [1 ]
FERRANTE, J [1 ]
机构
[1] NASA,LEWIS RES CTR,CLEVELAND,OH 44135
关键词
D O I
10.1016/0039-6028(93)90896-R
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The method of Bozzolo, Ferrante and Smith (BFS) is applied for the calculation of the heat of segregation of single substitutional impurities in fcc metals. A simple equation for predicting the heat of segregation is derived for the rigid case (no atomic relaxations). The results of including atomic relaxation using a Monte Carlo method are also presented and the results compared with a number of experimental and theoretical results.
引用
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页码:169 / 179
页数:11
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