Molecular dynamics simulation on burst and arrest of stacking faults in nanocrystalline Cu under nanoindentation

Xin-Ling Ma; Wei Yang

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Molecular dynamics simulation on burst and arrest of stacking faults in nanocrystalline Cu under nanoindentation

机译：纳米压痕条件下纳米晶铜堆垛层错的爆发和阻止的分子动力学模拟

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Nanoindentation induces versatile deformation mechanisms. The situation is examined here for the case of nanocrystalline Cu by means of parallel molecular dynamics simulations. The indenter is applied to the grain boundary (GB) or to the grain interior. The inter-atomic interaction of Cu is modelled by both the Lennard-Jones potential and the embedded atom method potential. The burst and arrest of stacking faults hold the key for the plastic deformation of nanocrystalline Cu under nanoindentation, in clear contrast to the case of nanoindentation on single-crystal Cu. The following descending order of indentation resistance is found: single crystal (or polycrystal of large grain size), nanocrystal when indented on the grain interior, and nanocrystal indented on the GB.

机译：纳米压痕诱导了多种变形机制。在这里，通过平行分子动力学模拟研究了纳米晶铜的情况。压头应用于晶粒边界（GB）或晶粒内部。 Cu的原子间相互作用是通过Lennard-Jones势和嵌入式原子方法势来建模的。与单晶铜纳米压痕的情况形成鲜明对比的是，堆叠缺陷的破裂和阻止是纳米压痕下纳米晶铜塑性变形的关键。耐压痕性按以下降序排列：单晶（或大晶粒多晶），在晶粒内部压痕时的纳米晶体和在GB处压痕的纳米晶体。

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《Nanotechnology》 |2003年第11期|共8页
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Xin-Ling Ma; Wei Yang;
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1. Molecular dynamics simulation on burst and arrest of stacking faults in nanocrystalline Cu under nanoindentation [J] . Xin-Ling Ma, Wei Yang Nanotechnology . 2003,第11期

机译：纳米压痕条件下纳米晶铜堆垛层错的爆发和阻止的分子动力学模拟
2. Mechanical Properties Depending on Grain Sizes of Face-Centered-Cubic Nanocrystalline Metals Using Molecular Dynamics Simulation (Investigation of Stacking Fault Energy's Influence) [J] . Tomotsugu SHIMOKAWA, Akihiro NAKATANI, Hiroshi KITAGAWA JSME International Journal. Series A, Solid mechanics and material engineering . 2004,第2期

机译：机械特性取决于面心立方纳米晶金属晶粒尺寸的分子动力学模拟（研究堆垛层错能的影响）
3. Effects of loading strain rate and stacking fault energy on nanoindentation creep behaviors of nanocrystalline Cu, Ni-20 wt.%Fe and Ni [J] . Hu Jiangjiang, Sun Guixun, Zhang Xingpu, Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2015,第Null期

机译：加载应变率和堆垛层错能对纳米晶Cu，Ni-20wt。％Fe和Ni的纳米压痕蠕变行为的影响
4. MOLECULAR DYNAMICS SIMULATIONS OF THE COMPRESSIVE BEHAVIOR OF α-FE AND FE-CU NANOCRYSTALLINE MATERIALS [C] . Tonya W. Stone, Bohumir Jelinek, Philip M. Gullett, International Conference on Powder Metallurgy amp; Particulate Materials vol.1; 20070513-16; Denver,CO(US) . 2007

机译：α-FE和FE-CU纳米晶材料的压缩行为的分子动力学模拟
5. The Structure-Property Relation in Nanocrystalline Materials: A Computational Study on Nanocrystalline Copper by Monte Carlo and Molecular Dynamics Simulations. [D] . Xu, Tao. 2009

机译：纳米晶体材料的结构-性能关系：纳米晶体铜的蒙特卡罗和分子动力学模拟计算研究。
6. Molecular dynamics simulations of nanoindentation and scratch in Cu grain boundaries [O] . Shih-Wei Liang, Ren-Zheng Qiu, Te-Hua Fang 2017

机译：铜晶界中纳米压痕和划痕的分子动力学模拟
7. Mechanical Properties Depending on Grain Sizes of Fcc Nanocrystalline Metals by Using Molecular Dynamics Simulation. Investigation of Stacking Fault Energy's Influence. [O] . Tomotsugu SHIMOKAWA, Akihiro NAKATANI, Hiroshi KITAGAWA 2002

机译：采用分子动力学模拟，根据FCC纳米晶金属的晶粒尺寸取决于FCC纳米晶金属的机械性能。堆叠故障能量影响的调查。
8. Molecular dynamics simulations of grain boundaries in thin nanocrystalline silicon films [R] . Berman, G. P., Doolen, G. D., Mainieri, R., 1997

机译：薄纳米晶硅薄膜晶界的分子动力学模拟

Molecular dynamics simulation on burst and arrest of stacking faults in nanocrystalline Cu under nanoindentation

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