Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models
Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models
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DOI：
10.1016/j.commatsci.2016.06.018
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发表时间：
2016-03
影响因子：
3.3
通讯作者：
Arezoo Emdadi;M. A. Zaeem;E. Asadi
中科院分区：
文献类型：
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作者：
Arezoo Emdadi;M. A. Zaeem;E. Asadi
在这项工作中，利用自由能最小化方法确定了显示二维（2D）和三维（3D）晶体结构的改进双模相场晶体（PFC）的相图。本研究采用改进的双模PFC模型（Asadi和Asle Zaeem， 2015），该模型可以精确地最小化每个稳定晶体结构中的自由能，从而计算出精确的双模PFC模型相图。计算中考虑了不同的晶体结构，如正方形、三角形、体心立方（bcc）、面心立方（fcc）和条纹晶格结构及其共存区域。对模型参数进行了讨论，计算出的相图可以作为其他研究者使用双模PFC模型研究凝固和固态相变的指导。
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this study the modified two-mode PFC model (presented by Asadi and Asle Zaeem, 2015) was used, in which the free energy can be exactly minimized in each stable crystal structure allowing calculation of accurate phase diagrams for two-mode PFC models. Different crystal structures, such as square, triangle, body-centered cubic (bcc), face-centered cubic (fcc), and stripe lattice structures as well as their coexistence regions were considered in the calculations. The model parameters were discussed to calculate phase diagrams that can be used as a guideline by other researchers for studying solidification and solid state phase transformation using two-mode PFC model.