Atomistic simulations of effects of Zr solute and loading mode on mechanical behavior of nanocrystalline Cu

Cheng-Da Wu; He-Xing Li

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Atomistic simulations of effects of Zr solute and loading mode on mechanical behavior of nanocrystalline Cu

机译：Zr溶质和装载模式对纳米晶Cu的力学行为的原子模拟

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The effects of Zr solute and loading mode on the structure,mechanics,and mechanical properties of nanocrystalline (NC)-Cu are studied using molecular dynamics simulations. Doping Zr atoms into NC-Cu systems stabilizes grain boundaries,suppresses dislocation nucleation and propagation,and increases the elastic deformation phase during tensile,compressive,and shear deformation processes. The tensile and shear strengths of NC-Cu/Zr systems are maximum at Zr concentrations of 5% and 3%,respectively. Young's modulus and mechanical strength of NC-Cu/Zr systems under compression both decrease with increasing Zr concentration. Grain boundary sliding dominates shear deformation and induces dislocation activity.

机译：利用分子动力学模拟研究了Zr溶质和装载模式对纳米晶（NC）-Cu的结构，力学和力学性能的影响。将Zr原子掺入NC-Cu系统稳定晶界，抑制位移成核和传播，并在拉伸，压缩和剪切变形过程中增加弹性变形相。 NC-Cu / Zr系统的拉伸和剪切强度分别为5％和3％的Zr浓度最大。在压缩下的NC-Cu / Zr系统的杨氏模量和机械强度随着Zr浓度的增加而降低。晶界滑动主导剪切变形并诱导位错活动。

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来源
《Journal of Applied Physics》 |2021年第7期|075102.1-075102.8|共8页
作者
Cheng-Da Wu; He-Xing Li;
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作者单位

Department of Mechanical Engineering Chung Yuan Christian University 200 Chung Pei Rd. Chung Li District Taoyuan City 32023 Taiwan;

Department of Mechanical Engineering Chung Yuan Christian University 200 Chung Pei Rd. Chung Li District Taoyuan City 32023 Taiwan;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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正文语种 eng
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Atomistic simulations of effects of Zr solute and loading mode on mechanical behavior of nanocrystalline Cu

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