Pressure effect on ternary phase diagrams: Bi-Sb-Pb as a case study

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-10-15 DOI:10.1016/j.calphad.2024.102759

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Abstract

Pressure can affect phase diagrams significantly, as previously demonstrated on several binary systems. However, the effect of pressure on ternary phase diagrams is mostly unexplored. In this study, a thermodynamic model of a ternary phase diagram under high pressure is formulated and applied to calculate the Bi-Sb-Pb system. The model employs binary interaction parameters and elemental thermodynamic functions to which the effect of pressure on the binary interaction parameters and elemental properties are added. The complete ternary Bi-Sb-Pb phase diagram was calculated up to a pressure of 2 GPa at selected temperatures as a case study, as this system involves three different types of binary phase diagrams: isomorphous, eutectic, and peritectic. The results show how pressure affects the stability of solid phases, leading to changes in the three-phase triangles and the four-phase equilibrium quadrilateral. This study provides insights into the pressure-dependent behavior of ternary systems and contributes to the thermodynamic understanding of ternary phase diagrams under high-pressure conditions.

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压力对三元相图的影响：铋-锑-铅案例研究

压力会对相图产生重大影响，这一点已在多个二元体系中得到证实。然而，压力对三元相图的影响大多尚未得到研究。本研究建立了高压下三元相图的热力学模型，并将其应用于计算铋锑铅体系。该模型采用了二元相互作用参数和元素热力学函数，并加入了压力对二元相互作用参数和元素性质的影响。作为一个案例研究，计算了在选定温度下 2 GPa 压力下的完整三元铋锑铅相图，因为该体系涉及三种不同类型的二元相图：同构相图、共晶相图和共晶相图。研究结果表明了压力如何影响固相的稳定性，导致三相三角形和四相平衡四边形发生变化。这项研究深入揭示了三元体系随压力变化的行为，有助于从热力学角度理解高压条件下的三元相图。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.