PanEvolution: Integrating CALPHAD, microstructure modeling, and finite element method

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-07-09 DOI:10.1016/j.calphad.2025.102851

Weisheng Cao , Fan Zhang , Kamalnath Kadirvel , Shuanglin Chen , Eric Payton , Matthew Krug

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引用次数: 0

Abstract

This paper introduces PanEvolution, a modeling platform that integrates CALPHAD, microstructure modeling, and finite element method (FEM). This work represents the third generation of Pandat software, designed to simulate the microstructure evolution of metallic materials during conventional manufacturing processes. The key features of PanEvolution include: (1) direct coupling of CALPHAD with various FEM software packages. This enables FEM packages to obtain accurate input of phase information for multi-component alloys and perform simulations of microstructure evolution for technically important metallic alloys, including precipitation, recrystallization, grain growth, and coarsening, during conventional manufacturing processes such as forging and rolling. (2) an open architecture that facilitates the easy replacement and swapping of fast-acting microstructure models. This enables microstructure evolution and property models developed by academia or industry to be easily integrated into the PanEvolution platform to maximize their value in industrial applications.

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PanEvolution：整合CALPHAD，微观结构建模和有限元方法

本文介绍了一个集CALPHAD、微结构建模和有限元法于一体的建模平台PanEvolution。这项工作代表了第三代Pandat软件，旨在模拟传统制造过程中金属材料的微观结构演变。PanEvolution的主要特点包括：(1)CALPHAD与各种有限元软件包的直接耦合。这使FEM软件包能够获得多组分合金的准确相信息输入，并对技术上重要的金属合金的微观结构演变进行模拟，包括在锻造和轧制等传统制造过程中的沉淀、再结晶、晶粒生长和粗化。(2)开放式架构，便于快速作用的微观结构模型的替换和交换。这使得学术界或工业界开发的微观结构演化和属性模型可以轻松集成到PanEvolution平台中，以最大限度地发挥其在工业应用中的价值。

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.