基于原子模拟的金属Fe晶界能与晶界取向相关性分析
Analysis of the Correlation Between the Energy and Crystallographic Orientation of Grain Boundaries in Fe Based on Atomistic Simulations
基于原子模拟的金属Fe晶界能与晶界取向相关性分析 |
| 黄曾鑫, 蒋逸航, 赖春明, 吴庆捷, 刘大海, 杨亮 |
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Analysis of the Correlation Between the Energy and Crystallographic Orientation of Grain Boundaries in Fe Based on Atomistic Simulations |
| HUANG Zengxin, JIANG Yihang, LAI Chunming, WU Qingjie, LIU Dahai, YANG Liang |
| 图7 金属Fe中部分自由表面对应表面能以及数据库中晶界面对应表面能和晶界能随表面能的变化 |
| Fig.7 Surface energies simulated for free surfaces intentionally selected in bcc Fe (a), variations of the fitted surface energy with the GB plane (b), and GB energy with the corresponding surface energy of GB plane (The magenta circles and curves stand for respectively the average GB energies obtained at a surface energy interval of 8 mJ/m2 and the corresponding least-squares fitting) (c) in the dataset |
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