用于多组分合金相场模拟的开放式集成建模框架

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-07-22 DOI:10.1016/j.calphad.2024.102723

Kamalnath Kadirvel , Duchao Lv , Weisheng Cao , Shuanglin Chen , Fan Zhang , Yunzhi Wang , Jaimie Tiley , Xuxiao Li , Wenda Tan

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引用次数: 0

摘要

我们开发了一个集成建模框架（PanPhaseField），它可以实现 CALPHAD 计算与多组分合金大规模相场模拟之间直接而快速的耦合。该平台采用开放式架构，可充分利用 Pandat 软件友好的图形界面，以即插即用的方式集成用户定义的相场模型。所开发的建模平台成为一种有利的工具，可用于模拟各种工程应用中工业复杂合金空间变化微结构的演变。

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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An integrated modeling framework with open architecture for phase field simulation of multi-component alloys

An integrated modeling framework (PanPhaseField) has been developed, which enables a direct and fast coupling between CALPHAD calculations and large-scale phase field simulations for multi-component alloys. It adopts an open architecture allowing for integration of user-defined phase field models in a plug-and-play manner by taking full advantage of the user-friendly graphical interface of Pandat software. The developed modeling platform becomes an enabling tool that can be used to simulate the evolution of spatially varying microstructures of industrial complex alloys for various engineering applications.

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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.