On the calculation of multicomponent stable phase diagrams

被引：109
作者：
Chen, SL [1 ]
Daniel, S
Zhang, F
Chang, YA
Oates, WA
Schmid-Fetzer, R
机构：
[1] CompuTherm LLC, Madison, WI 53719 USA
[2] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA
[3] Univ Salford, Sci Res Inst, Salford M5 4WT, Lancs, England
[4] Univ Clausthal, Inst Met, D-38678 Clausthal Zellerfeld, Germany
来源：
JOURNAL OF PHASE EQUILIBRIA | 2001年 / 22卷 / 04期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1361/105497101770332910
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：
In a thermodynamic system, a stable phase diagram is uniquely determined by the thermodynamic parameters of each phase. A generalized phase equilibria calculation software package should enable the calculation of the phase diagram from the parameters automatically, without requiring either prior knowledge of the diagram or special user skills. Improvements to the existing software packages have been achieved in the new software package PANDAT. The approach used in this software is described briefly and some examples of its advantages are given.
引用
收藏
页码：373 / 378
页数：6
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