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Uniaxial Compression Behavior of Bulk Nano-twinned Gold from Molecular Dynamics Simulation

机译:分子动力学模拟研究纳米晶孪晶块体的单轴压缩行为

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Parallel molecular dynamics simulations were used to study the influence of pre-existing growth twin boundaries on the slip activity of bulk gold under uniaxial compression. The simulations were performed on a 3D, fully periodic simulation box at 300 K with a constant strain rate of 4×10~7 s~(-1). Different twin boundary interspacings from 2 nm to 16 nm were investigated. The strength of bulk nano-twinned gold was found to increase as the twin interspacing was decreased. However, strengthening effects related to the twin size were less significant in bulk gold than in gold nanopillars. The atomic analysis of deformation modes at the twin boundary/slip intersection suggested that the mechanisms of interfacial plasticity in nano-twinned gold were different between bulk and nanopillar geometries.
机译:平行分子动力学模拟用于研究在单轴压缩下预先存在的孪生晶界对块状金的滑移活性的影响。仿真是在300 K的3D全周期仿真盒上进行的,恒定应变率为4×10〜7 s〜(-1)。研究了从2 nm到16 nm的不同孪晶边界间距。人们发现,随着孪晶间距的减小,纳米级纳米孪晶的强度会增加。但是,散装金中与孪晶尺寸有关的强化作用不如金纳米柱中重要。对孪晶边界/滑移相交处的变形模式的原子分析表明,纳米孪晶金的界面可塑性机制在本体几何结构和纳米柱几何结构之间是不同的。

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