Ordering in V-O and V-N solid solutions: Computer simulation

被引：0

作者：

Blanter M.S. ^{[1
]}

Dmitriev V.V. ^{[1
]}

Ruban A.V. ^{[2
]}

机构：

[1] Moscow State University of Instrumental Engineering and Informatics, Moscow

[2] Department of Material Science and Engineering, Royal Institute of Technology, Stockholm

来源：

Blanter, M.S. | 1600年 / Allerton Press Incorporation卷 / 78期

关键词：

Crystal atomic structure - Monte Carlo methods;

D O I：

10.3103/S1062873814100050

中图分类号：

学科分类号：

摘要：

The atomic structures of interstitial solid solutions O and N in V at relatively low concentrations O(N)/V = 1/16 or 1/8 are calculated using the Monte Carlo method. A combined model of long-range interaction between interstitial atoms is employed. The first 12 shells contain ab initio energies and the energies in shells 13–18 are calculated on the basis of a phenomenological model of deformation interaction. The ordered solid solutions are long-period structures with body-centered tetragonal crystal lattices and tetragonality c/a < 1. © 2014, Allerton Press, Inc.

引用

页码：1030 / 1034

页数：4

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