Thermodynamic modeling of Al-Co-Cr, Al-Co-Ni, Co-Cr-Ni ternary systems towards a description for Al-Co-Cr-Ni

被引:68
作者
Liu, Xuan L. [1 ]
Lindwall, Greta [1 ]
Gheno, Thomas [2 ]
Liu, Zi-Kui [1 ]
机构
[1] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA
[2] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA
来源
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2016年 / 52卷
基金
美国国家科学基金会;
关键词
Al-Co-Cr; Al-Co-Ni; Co-Cr-Ni; MCrAlY; NiCoCrAlY; B2; PHASE-EQUILIBRIA; ELASTIC PROPERTIES; ALLOYING ELEMENTS; ORDERED PHASES; THERMO-CALC; SIGMA-PHASE; 1ST-PRINCIPLES; STABILITY; ENTHALPIES; TEMPERATURE;
D O I
10.1016/j.calphad.2015.12.007
中图分类号
O414.1 [热力学];
学科分类号
摘要
The phase relations and thermodynamic properties of the Al-Co-Cr, Al-Co-Ni, Co-Cr-Ni ternary alloys are investigated using first principles calculations based on DFT (density functional theory). Their thermodynamic descriptions are developed by means of the CALPHAD (calculations of phase diagrams) method using experimental and computational data from the present work and the literature. Emphasis is placed on modeling the A2, B2, fcc-gamma, L12-gamma' and tetragonal-cy phases in the temperature range of 1173-1623 K. Liquid, A2 and fcc-gamma phases are modeled using substitutional solution descriptions. A partitioning model is then used for the gamma/gamma' and A2/B2 phases to effectively describe the order -disorder transitions. The critically assessed thermodynamic descriptions describe all experimentally determined phase equilibria data well. A2/B2 transitions are also shown to agree well with previous experimental findings in the Al-Co-Cr ternary system. (C) 2016 Elsevier Ltd. All rights reserved.
引用
收藏
页码:125 / 142
页数:18
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