Effects of temperature and grain size on phase-field-crystal deformation simulation
Effects of temperature and grain size on phase-field-crystal deformation simulation
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DOI：
10.1016/j.ijmecsci.2009.09.036
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发表时间：
2010-02-01
影响因子：
7.3
通讯作者：
Tomita, Y.
中科院分区：
文献类型：
--
作者：
Hirouchi, T.;Takaki, T.;Tomita, Y.
我们使用Hirouchi等人提出的等体积数值格式的相场晶体（PFC）方法对不同温度和晶粒尺寸条件下的纳米晶体结构进行了变形模拟。[相场晶体变形模拟数值格式的发展]。计算机科学，2009;44(1):1 -7。]，详细讨论了双晶和多晶金属材料在塑性变形过程中的变形行为。因此，我们能够观察到典型的塑性变形行为，如位错的产生、湮灭和移动，以及晶粒旋转和晶界（GB）迁移，这取决于晶粒尺寸和温度。结果表明，采用等体积变形方案的PFC方法是模拟多晶金属的有力工具，因为所得到的行为与分子动力学（MD）模拟和实验结果在定性上一致。2009爱思唯尔有限公司版权所有。
We performed deformation simulations of nanocrystalline structures under different temperature and grain-size conditions using the phase-field-crystal (PFC) method with an isovolumetric numerical scheme proposed by Hirouchi et al. [Development of numerical scheme for phase field crystal deformation simulation. Comput Mater Sci 2009;44:1192-7.], and we discussed the deformation behavior of bicrystalline and polycrystalline metallic materials during plastic deformation in detail. As a result, we were able to observe typical plastic deformation behavior such as the generation, annihilation and movement of dislocations as well as grain rotation and grain boundary (GB) migration depending on the grain size and temperature. It was concluded that the PFC method with the isovolumetric deformation scheme is a powerful tool for simulating polycrystalline metals, because the obtained behaviors were in qualitative agreement with the results obtained by molecular dynamics (MD) simulations and experiments. (C) 2009 Elsevier Ltd. All rights reserved.