On the calculation of multicomponent stable phase diagrams

被引：110

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

页码：373 / 378

页数：6

共 50 条

[1] CALCULATION OF MULTICOMPONENT CERAMIC PHASE-DIAGRAMS
KAUFMAN, L
PHYSICA B & C, 1988, 150 (1-2): : 99 - 114
[2] NUMERICAL TECHNIQUES FOR CALCULATION OF MULTICOMPONENT PHASE-DIAGRAMS
GAYE, H
LUPIS, CHP
METALLURGICAL TRANSACTIONS, 1975, A 6 (05): : 1057 - 1064
[3] CALCULATION OF MULTICOMPONENT TANTALUM BASED PHASE-DIAGRAMS
KAUFMAN, L
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 1991, 15 (03): : 261 - 282
[4] CALCULATION OF PHASE-DIAGRAMS OF MULTICOMPONENT SYSTEMS CONTAINING CRYOLITE
FELLNER, P
CHRENKOVAPAUCIROVA, M
MATIASOVSKY, K
CHEMICKE ZVESTI, 1976, 30 (06): : 805 - 812
[5] Application of the cluster/site approximation to the calculation of multicomponent alloy phase diagrams
Cao, W
Chang, YA
Zhu, J
Chen, S
Oates, WA
ACTA MATERIALIA, 2005, 53 (02) : 331 - 335
[6] ON THE CHOICE OF STANDARD STATE AT THE CALCULATION OF PHASE-DIAGRAMS OF MULTICOMPONENT MOLTEN SYSTEMS
FELLNER, P
CHEMICKE ZVESTI, 1981, 35 (02): : 203 - 206
[7] First-principles based calculation of binary and multicomponent phase diagrams for titanium carbonitride
Andersson, D. A.
Korzhavyi, P. A.
Johansson, B.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2008, 32 (03): : 543 - 565
[8] COMPUTER CALCULATIONS OF MULTICOMPONENT PHASE DIAGRAMS
GAYE, H
LUPIS, CHP
SCRIPTA METALLURGICA, 1970, 4 (09): : 685 - &
[9] Phase diagrams of multicomponent lattice models
N. N. Ganikhodjaev
C. H. Pah
Theoretical and Mathematical Physics, 2006, 149 : 1512 - 1518
[10] The need to develop multicomponent phase diagrams
P. R. Subramanian
JOM, 1997, 49 : 13 - 13

← 1 2 3 4 5 →