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Schottky defects induced effects on the behaviors of high velocity shock compression of MgO

机译：肖特基缺陷诱导对MgO高速冲击压缩的行为的影响

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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.
机译：分子动力学（MD）模拟是在氯化钠的MgO高速平面冲击压缩沿着[100]方向的晶格使用长程库仑势进行。结果发现，MgO的冲击压缩取决于活塞速度，即揭示了三个不同的区域，单个弹性冲击波，由弹性波的两波结构接着是塑性变形波，和单个塑性变形冲击波。从弹性至塑性变形的10（10）的高应变速率下的过渡，得到120 GPA的临界压力S（-1）。为了得到更好地理解，实验的结果，我们还研究了肖特基缺陷的影响在单晶MgO上的Hugoniot弹性极限（HEL），冲击波产生的塑性变形速度和临界活塞速度（CPV）。我们的研究结果表明，HEL减小从120 1GPa至100GPa的，和CPV从2.8公里S（-1）到2.2公里减小的小S（-1）。显著，双屈服现象为MgO的样品中的冲击波传播与肖特基缺陷，即，伴随着位错的空位排放，这之前从未报道的位错的均匀成核。这项工作有助于澄清氧化镁的HEL的文献中的矛盾的结果，并了解MgO的塑性变形机制。

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  • 来源
    《RSC Advances》 |2017年第72期|共7页
  • 作者

    Zhang Chuanguo; Wang Xianlong; Zhang Jie; Yang Kaishuai; Cheng Ya; Zeng Zhi; Zhou Xianming; Lin Haiqing;

  • 作者单位

    Chinese Acad Sci Key Lab Mat Phys Inst Solid State Phys Hefei 230031 Anhui Peoples R China;

    Chinese Acad Sci Key Lab Mat Phys Inst Solid State Phys Hefei 230031 Anhui Peoples R China;

    Chinese Acad Sci Key Lab Mat Phys Inst Solid State Phys Hefei 230031 Anhui Peoples R China;

    Chinese Acad Sci Key Lab Mat Phys Inst Solid State Phys Hefei 230031 Anhui Peoples R China;

    Chinese Acad Sci Key Lab Mat Phys Inst Solid State Phys Hefei 230031 Anhui Peoples R China;

    Chinese Acad Sci Key Lab Mat Phys Inst Solid State Phys Hefei 230031 Anhui Peoples R China;

    Natl Key Lab Shock Wave &

    Detonat Phys Inst Fluid Phys Mianyang 621900 Peoples R China;

    Beijing Computat Sci Res Ctr Beijing 100084 Peoples R China;

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