Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing

Abstract The phase-field (PF) method is a physics-based computational approach for simulating interfacial morphology. It has been used to model powder melting, rapid solidification, and grain structure evolution in metal additive manufacturing (AM). However, traditional direct numerical simulation (...

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Main Authors: Tianju Xue, Zhengtao Gan, Shuheng Liao, Jian Cao
Format: Article
Language:English
Published: Nature Portfolio 2022-09-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00890-9
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author Tianju Xue
Zhengtao Gan
Shuheng Liao
Jian Cao
author_facet Tianju Xue
Zhengtao Gan
Shuheng Liao
Jian Cao
author_sort Tianju Xue
collection DOAJ
description Abstract The phase-field (PF) method is a physics-based computational approach for simulating interfacial morphology. It has been used to model powder melting, rapid solidification, and grain structure evolution in metal additive manufacturing (AM). However, traditional direct numerical simulation (DNS) of the PF method is computationally expensive due to sufficiently small mesh size. Here, a physics-embedded graph network (PEGN) is proposed to leverage an elegant graph representation of the grain structure and embed the classic PF theory into the graph network. By reformulating the classic PF problem as an unsupervised machine learning task on a graph network, PEGN efficiently solves temperature field, liquid/solid phase fraction, and grain orientation variables to minimize a physics-based loss/energy function. The approach is at least 50 times faster than DNS in both CPU and GPU implementation while still capturing key physical features. Hence, PEGN allows to simulate large-scale multi-layer and multi-track AM build effectively.
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spelling doaj.art-5dfcc057f34e4eb6887bbde27b77f4d62022-12-22T03:18:12ZengNature Portfolionpj Computational Materials2057-39602022-09-018111310.1038/s41524-022-00890-9Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturingTianju Xue0Zhengtao Gan1Shuheng Liao2Jian Cao3Department of Mechanical Engineering, Northwestern UniversityDepartment of Mechanical Engineering, Northwestern UniversityDepartment of Mechanical Engineering, Northwestern UniversityDepartment of Mechanical Engineering, Northwestern UniversityAbstract The phase-field (PF) method is a physics-based computational approach for simulating interfacial morphology. It has been used to model powder melting, rapid solidification, and grain structure evolution in metal additive manufacturing (AM). However, traditional direct numerical simulation (DNS) of the PF method is computationally expensive due to sufficiently small mesh size. Here, a physics-embedded graph network (PEGN) is proposed to leverage an elegant graph representation of the grain structure and embed the classic PF theory into the graph network. By reformulating the classic PF problem as an unsupervised machine learning task on a graph network, PEGN efficiently solves temperature field, liquid/solid phase fraction, and grain orientation variables to minimize a physics-based loss/energy function. The approach is at least 50 times faster than DNS in both CPU and GPU implementation while still capturing key physical features. Hence, PEGN allows to simulate large-scale multi-layer and multi-track AM build effectively.https://doi.org/10.1038/s41524-022-00890-9
spellingShingle Tianju Xue
Zhengtao Gan
Shuheng Liao
Jian Cao
Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing
npj Computational Materials
title Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing
title_full Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing
title_fullStr Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing
title_full_unstemmed Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing
title_short Physics-embedded graph network for accelerating phase-field simulation of microstructure evolution in additive manufacturing
title_sort physics embedded graph network for accelerating phase field simulation of microstructure evolution in additive manufacturing
url https://doi.org/10.1038/s41524-022-00890-9
work_keys_str_mv AT tianjuxue physicsembeddedgraphnetworkforacceleratingphasefieldsimulationofmicrostructureevolutioninadditivemanufacturing
AT zhengtaogan physicsembeddedgraphnetworkforacceleratingphasefieldsimulationofmicrostructureevolutioninadditivemanufacturing
AT shuhengliao physicsembeddedgraphnetworkforacceleratingphasefieldsimulationofmicrostructureevolutioninadditivemanufacturing
AT jiancao physicsembeddedgraphnetworkforacceleratingphasefieldsimulationofmicrostructureevolutioninadditivemanufacturing