不同条件下纳米晶 α-Zr蠕变行为的分子动力学模拟

孟子凯, 孟智超, 高长源, 郭辉, 陈汉森, 陈刘涛, 徐东生, 杨锐

Molecular Dynamics Simulation of Creep Mechanism in Nanocrystalline α-Zirconium Under Various Conditions

MENG Zikai, MENG Zhichao, GAO Changyuan, GUO Hui, CHEN Hansen, CHEN Liutao, XU Dongsheng, YANG Rui

图12 573 K-M4-5 GPa体系在蠕变过程中的组织演化及晶界附近原子位移分析

Fig.12 Microstructure evolutions and atomic displacement analyses of 573 K-M4-5 GPa system during creep (The grey and red atoms show the original and crept grain boundary, respectively; yellow arrows in Figs.12f-h represent the displacements of the atoms) (a-d) crystal structures at 0 ps (a), 50 ps (b), 100 ps (c), and 150 ps (d), respectively (e, f) atomic displacement analyses at 30 ps (e) and 40 ps (f), respectively (g, h) partial enlarged views of the areas in Figs.12f