Phase-field model of precipitation processes with coherency loss  

作　　者：Tian-Le Cheng You-Hai Wen 

机构地区：[1]National Energy Technology Laboratory,Albany,OR,USA [2]Leidos Research Support Team,Albany,OR,USA

出　　处：《npj Computational Materials》2021年第1期338-348,共11页计算材料学（英文）

基　　金：This technical effort was performed in support of the Cross-Cutting Technologies Program of the National Energy Technology Laboratory(NETL)under the RSS contract 89243318CFE000003;The research was executed through NETL Research&Innovation Center’s project coordinated by David E.Alman and was specifically under the advanced alloy development FWP led by Drs.David Alman and Jeffrey A.Hawk and in part through the XMAT project.This work partially used the Extreme Science and Engineering Discovery Environment(XSEDE),which is supported by National Science Foundation grant number ACI-1548562.

摘　　要：A phase-field model is proposed to simulate coherency loss coupled with microstructure evolution.A special field variable is employed to describe the degree of coherency loss of each particle and its evolution is governed by a Ginzburg-Landau type kinetic equation.For the sake of computational efficiency,a flood-fill algorithm is introduced that can drastically reduce the required number of field variables,which allows the model to efficiently simulate a large number of particles sufficient for characterizing their statistical features during Ostwald ripening.The model can incorporate size dependence of coherency loss,metastability of coherent particles,and effectively incorporate the underlying mechanisms of coherency loss by introducing a so-called differential energy criterion.The model is applied to simulate coarsening of Al3Sc precipitates in aluminum alloy and comprehensively compared with experiments.Our results clearly show how the particle size distribution is changed during coherency loss and affects the coarsening rate.

关 键 词：COHERENCY ALLOY MICROSTRUCTURE 

分 类 号：O572.2[理学—粒子物理与原子核物理]