1ST PRINCIPLES PHASE-STABILITY STUDY OF THE RU-NB-ZR SYSTEM

被引：6

作者：

BECKER, JD

SANCHEZ, JM

机构：

[1] Center for Materials Science and Engineering, The University of Texas at Austin, Austin

来源：

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING | 1993年 / 170卷 / 1-2期

关键词：

D O I：

10.1016/0921-5093(93)90377-Q

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

First-principles electronic structure calculations and the cluster variation method (CVM) are used to study phase stability for the three binary systems of the ternary Ru-Zr-Nb system. The results are used to assess conflicting experimental data on the stability of the Ru3Nb compound. The possibility of stabilizing the high-pressure phase (L1(2) structure) of Ru3Nb by substitution of Zr for Nb and, further, the tetragonal distortion reported in Nb-rich alloys is evaluated in light of the electronic structure calculations.

引用

页码：161 / 167

页数：7

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