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Schottky defects induced effects on the behaviors of high velocity shock compression of MgO
Zhang, Chuanguo1,4; Wang, Xianlong1,2; Zhang, Jie1,2; Yang, Kaishuai1,2; Cheng, Ya1,2; Zeng, Zhi1,2,4; Zhou, Xianming3; Lin, Haiqing4
2017
发表期刊RSC ADVANCES
卷号7期号:72页码:45304-45310
摘要Molecular dynamics (MD) simulation was performed on high velocity plane shock compression of sodium chloride MgO along [100] lattice direction using a long-range coulombic potential. It was found that the shock compressions of MgO revealed three distinct regions depending on piston velocities, i.e., single elastic shock wave, two-wave structure consisting of an elastic wave followed by a plastic deformation wave, and single plastic deformation shock wave. The critical pressure of 120 GPa was obtained for the transition from elastic to plastic deformation under the high strain rate of 10(10) s(-1). For getting a better understanding the experimental results, we also investigated the effects of Schottky defects in MgO single crystal on the Hugoniot Elastic Limit (HEL), the velocity of shock wave and the critical piston velocity (CPV) resulting in plastic deformation. Our results demonstrated that the HEL decreases from 120 GPa to 100 GPa, and the CPV decreases a little from 2.8 km s(-1) to 2.2 km s(-1). Significantly, a double yielding phenomenon occurs for shock wave propagating in MgO sample with Schottky defects, i.e., homogeneous nucleation of dislocations accompanied by vacancy emission of dislocations, which has never been reported before. This work helps to clarify the contradictory results of HEL of MgO in the literature and to understand the plastic deformation mechanism of MgO.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
资助者China Postdoctoral Science Foundation(2016M590586) ; China Postdoctoral Science Foundation(2016M590586) ; National Science Foundation of China(11605231 ; National Science Foundation of China(11605231 ; Center for Computational Science of CASHIPS ; Center for Computational Science of CASHIPS ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; 11674329 ; 11674329 ; 11504381 ; 11504381 ; 11534012 ; 11534012 ; NSAF U1230202) ; NSAF U1230202) ; China Postdoctoral Science Foundation(2016M590586) ; China Postdoctoral Science Foundation(2016M590586) ; National Science Foundation of China(11605231 ; National Science Foundation of China(11605231 ; Center for Computational Science of CASHIPS ; Center for Computational Science of CASHIPS ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; 11674329 ; 11674329 ; 11504381 ; 11504381 ; 11534012 ; 11534012 ; NSAF U1230202) ; NSAF U1230202)
DOI10.1039/c7ra09303a
关键词[WOS]EQUATION-OF-STATE ; MAGNESIUM-OXIDE ; MOLECULAR-DYNAMICS ; HIGH-PRESSURE ; METALS ; GPA ; ELASTICITY ; SIMULATION ; INITIATION ; STRENGTH
收录类别SCI
语种英语
资助者China Postdoctoral Science Foundation(2016M590586) ; China Postdoctoral Science Foundation(2016M590586) ; National Science Foundation of China(11605231 ; National Science Foundation of China(11605231 ; Center for Computational Science of CASHIPS ; Center for Computational Science of CASHIPS ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; 11674329 ; 11674329 ; 11504381 ; 11504381 ; 11534012 ; 11534012 ; NSAF U1230202) ; NSAF U1230202) ; China Postdoctoral Science Foundation(2016M590586) ; China Postdoctoral Science Foundation(2016M590586) ; National Science Foundation of China(11605231 ; National Science Foundation of China(11605231 ; Center for Computational Science of CASHIPS ; Center for Computational Science of CASHIPS ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; ScGrid of Supercomputing Center and Computer Network Information Center of Chinese Academy of Sciences ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe- 2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; 11674329 ; 11674329 ; 11504381 ; 11504381 ; 11534012 ; 11534012 ; NSAF U1230202) ; NSAF U1230202)
WOS研究方向Chemistry
WOS类目Chemistry, Multidisciplinary
WOS记录号WOS:000412147000009
引用统计
文献类型期刊论文
条目标识符http://ir.hfcas.ac.cn:8080/handle/334002/33712
专题中科院固体物理研究所
作者单位1.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, Hefei 230031, Anhui, Peoples R China
2.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China
3.Natl Key Lab Shock Wave & Detonat Phys, Inst Fluid Phys, Mianyang 621900, Peoples R China
4.Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China
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Zhang, Chuanguo,Wang, Xianlong,Zhang, Jie,et al. Schottky defects induced effects on the behaviors of high velocity shock compression of MgO[J]. RSC ADVANCES,2017,7(72):45304-45310.
APA Zhang, Chuanguo.,Wang, Xianlong.,Zhang, Jie.,Yang, Kaishuai.,Cheng, Ya.,...&Lin, Haiqing.(2017).Schottky defects induced effects on the behaviors of high velocity shock compression of MgO.RSC ADVANCES,7(72),45304-45310.
MLA Zhang, Chuanguo,et al."Schottky defects induced effects on the behaviors of high velocity shock compression of MgO".RSC ADVANCES 7.72(2017):45304-45310.
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