1ST PRINCIPLES CALCULATION OF THERMODYNAMIC PROPERTIES OF NOBLE-METAL ALLOYS

被引：48

作者：

MOHRI, T

TERAKURA, K

OGUCHI, T

WATANABE, K

机构：

[1] UNIV TOKYO,INST SOLID STATE PHYS,MINATO KU,TOKYO 106,JAPAN

[2] NATL RES INST MET,MEGURO KU,TOKYO 153,JAPAN

来源：

ACTA METALLURGICA | 1988年 / 36卷 / 03期

关键词：

COPPER METALLOGRAPHY - Phase Diagrams - SILVER COPPER ALLOYS - Thermodynamic Properties - SILVER GOLD ALLOYS - Thermodynamic Properties - SILVER METALLOGRAPHY - Phase Diagrams;

D O I：

10.1016/0001-6160(88)90087-9

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

An electronic structure calculation is incorporated in the cluster variation method and thermodynamic properties of the disorder phase are studied. For Cu-Au and Ag-Au systems, the heats of formation are estimated as functions of concentration and the influence of short range order on the lattice constant is quantitatively discussed at Cu//3 Au stoichiometry. For Ag-Cu, a phase diagram is obtained based on the model.

引用

页码：547 / 553

页数：7

共 17 条

[1] ELECTRONIC-STRUCTURE, PAIRWISE INTERACTIONS AND ORDERING ENERGIES IN BINARY FCC TRANSITION-METAL ALLOYS [J].