THEORETICAL-STUDIES OF METALLIC INTERFACES

被引：9

作者：

CHEN, SP

机构：

[1] Theoretical Division, Los Alamos National Laboratory, Los Alamos

来源：

MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY | 1990年 / 6卷 / 2-3期

关键词：

D O I：

10.1016/0921-5107(90)90087-R

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have used embedded atom potentials to simulate the surfaces, thin films, A/B interfaces, and grain boundaries in metals (nickel and aluminum) and alloys (NiAl and Ni3Al). The calculated surface relaxations and ripplings of free surfaces are in good agreement with experiments. A new interference phenomenon of interlayer relaxation in thin films is observed in the simulation. This interference phenomenon can be calculated by a simple superposition principle. The segregation behavior of boron, sulfur and their effects on the mechanical properties of Ni3Al are correctly predicted with potentials fitted to data obtained by electronic band structure calculations. © 1990.

引用

页码：113 / 121

页数：9

共 35 条

[1]

[Anonymous], UNPUB

[2]

BALLUFFI RW, 1980, GRAIN BOUNDARY STRUC

[3] MULTILAYER LATTICE-RELAXATION AT METAL-SURFACES - A TOTAL-ENERGY MINIMIZATION [J].