Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation
Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation
复制标题
将 CALPHAD 亚晶格排序方法纳入具有有限界面耗散的相场模型
DOI：
10.1016/j.actamat.2014.11.037
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发表时间：
2015-04-15
期刊：
影响因子：
9.4
通讯作者：
Steinbach, Ingo
中科院分区：
文献类型：
--
作者：
Zhang, Lijun;Stratmann, Matthias;Steinbach, Ingo
开发了一种将 CALPHAD（相位图计算）形式中的子晶格模型直接合并到相场形式中的新方法。在二元合金中，亚晶格模型可以分为两种类型（即“I 型”和“II 型”），具体取决于 CALPHAD 数据库中的元素位点分数与相场模型中的相浓度之间是否存在直接的一对一关系（I 型）或不存在（II 型）。对于“II 型”亚晶格模型，必须通过不同亚晶格之间的内部弛豫来建立对应于给定摩尔分数的特定位点分数。一般来说，微观结构转变过程中亚晶格占有率和溶质演化的内部最小化导致的解决方案优于单独解决各个问题。本耦合技术已针对 Fe-C 和 Ni-Al 合金进行了验证。最后，将该模型扩展到多元合金中，并应用于模拟含钒钢中奥氏体基体中 VC 单碳化物的形核过程。 (c) 2014 Acta Materialia Inc. 由 Elsevier Ltd 出版。保留所有权利。
A new approach to incorporate the sublattice models in the CALPHAD (CALculation of PHAse Diagram) formalism directly into the phase-field formalism is developed. In binary alloys, the sublattice models can be classified into two types (i.e., "Type I" and "Type II"), depending on whether a direct one-to-one relation between the element site fraction in the CALPHAD database and the phase concentration in the phase-field model exists (Type I), or not (Type II). For "Type II" sublattice models, the specific site fractions, corresponding to a given mole fraction, have to be established via internal relaxation between different sublattices. Internal minimization of sublattice occupancy and solute evolution during microstructure transformation leads, in general, to a solution superior to the separate solution of the individual problems. The present coupling technique is validated for Fe-C and Ni-Al alloys. Finally, the model is extended into multicomponent alloys and applied to simulate the nucleation process of VC monocarbide from austenite matrix in a steel containing vanadium. (c) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.