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A Multi-Scale Approach to Simulate Solidification Structure Evolution and Solute Segregation in a Weld Pool

机译：一种模拟熔池中凝固组织演变和溶质偏析的多尺度方法

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摘要

During welding, work-pieces are melted to form a weld pool and are joined upon solidification. The quality of the welded product is largely determined by the solidified microstructure and solute distribution. In recent years phase-field (PF) models have been developed to simulate solidification structure evolution and microsegregation. However many input data for the PF simulations are difficult to measure, including at the nanoscale the solid-liquid interfacial energy and its anisotropy, and at the macroscale the solidification conditions. In this study, an integrated scheme is proposed to resolve the above challenges by linking nanoscale molecular dynamics modelling (MD) and mesoscale front tracking (FT) modelling to the PF modelling. The approach is demonstrated in a case study in which the solidified structures and solute distributions are simulated in the weld pool for Fe-0.3wt. %C steel.
机译：在焊接过程中，工件熔化形成焊缝，并在凝固时接合。焊接产品的质量在很大程度上取决于凝固的微观结构和溶质分布。近年来，已经开发出相场（PF）模型来模拟凝固组织的演化和微观偏析。但是，用于PF模拟的许多输入数据很难测量，包括在纳米尺度上的固液界面能及其各向异性，以及在宏观尺度上的凝固条件。在这项研究中，提出了一种集成方案来解决上述挑战，方法是将纳米级分子动力学建模（MD）和中尺度前跟踪（FT）建模与PF建模联系起来。在案例研究中证明了该方法，其中在Fe-0.3wt的焊接熔池中模拟了凝固组织和溶质分布。 ％C钢。

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    Yu Xie; Hongbiao Dong; Jun Liu; Ruslan L. Davidchack; Jonathan A. Dantzig; Gregory Duggan; Mingming Tong; David J. Browne;

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    Department of Engineering, University of Leicester, Leicester LE1 7RH, UK;

    Department of Engineering, University of Leicester, Leicester LE1 7RH, UK;

    Department of Engineering, University of Leicester, Leicester LE1 7RH, UK;

    Department of Mathematics, University of Leicester, Leicester LE1 7RH, UK;

    Laboratory for the Simulation of Materials, EPFL, Lausanne 1015, Switzerland;

    School of Mechanical and Materials Engineering, University College Dublin, Dublin 4, Ireland;

    School of Mechanical and Materials Engineering, University College Dublin, Dublin 4, Ireland;

    School of Mechanical and Materials Engineering, University College Dublin, Dublin 4, Ireland;

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