Thermodynamic modeling of Mo–Os, W–Os and Mo–Os–W systems

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-03-26 DOI:10.1016/j.calphad.2025.102823

Baogang Liu , Yong Du , Lei Huang , Yafei Pan

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引用次数: 0

Abstract

Based on critical evaluation of the literature data, the Mo–Os and W–Os binary systems have been reviewed and assessed by means of the CALPHAD technique. The substitutional solution models are adopted to describe the liquid, bcc (βMo, βW) and hcp (αOs) phases, and the compound energy models with two sublattices are to describe the σ and Mo₃Os phases. The phase equilibrium data of the Mo–Os and W–Os systems are well produced by the present modeling. Using the obtained thermodynamic parameters of the sub-binary systems, the thermodynamic description has been extended to the Mo–Os–W ternary system, covering the whole composition and temperature ranges. There is no ternary compound in this system. The σ phase forms a continuous solid solution crossing the phase diagram. A set of self-consistent thermodynamic parameters for the Mo–Os–W system is systematically optimized to describe to the bcc, σ and Mo₃Os phases. Comprehensive comparisons between the calculated and reported phase diagram information show that the reliable information is satisfactorily accounted for by the present modeling. The liquidus projection and reaction scheme of the Mo–Os–W system are also generated by using the present thermodynamic parameters.

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来源期刊

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

审稿时长

2.5 months

期刊介绍： The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.