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Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study
Results in Physics ( IF 5.3 ) Pub Date : 2020-10-12 , DOI: 10.1016/j.rinp.2020.103486
Dong Hu , Zhen Cui , Jiajie Fan , Xuejun Fan , Guoqi Zhang

A molecular dynamics (MD) simulation was performed on the coalescence kinetics and mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low temperature. To investigate the effects of sintering pressure and temperature on the coalescence of the nanoparticles, sintering simulations of two halve Cu NPs were conducted at the pressure of 0–300 MPa and the temperature of 300–500 K. A transition of the dominant coalescence kinetics from slight surface diffusion to intensive grain boundary diffusion and dislocation driven plastic flows were found when pressure was applied. Furthermore, atomic trajectories showed the effect of temperature on sintering was strongly dependent on the microstructures of Cu NPs. The atomic diffusion around defects can be significantly promoted by the elevated temperature. Additionally, based on the sintered structures, uniaxial tension simulation was implemented with a constant strain rate. Stress–strain curves and evolution of dislocation activities were derived. Improved mechanical behaviors, including larger elastic modulus and larger tensile strength, were obtained in the structure sintered under higher pressure and temperature. Among this study, sintering temperature and pressure consistently exhibited the same relative impact on affecting both coalescence and the mechanical properties of the sintered structure.



中文翻译:

压力辅助Cu纳米颗粒烧结的热动力学和力学行为:分子动力学研究

分子动力学(MD)模拟进行了低温下烧结的压力辅助铜纳米粒子(NPs)的聚结动力学和力学行为。为了研究烧结压力和温度对纳米颗粒聚结的影响,在0-300 MPa的压力和300-500 K的温度下进行了两个半铜纳米颗粒的烧结模拟。当施加压力时,发现轻微的表面扩散至强烈的晶界扩散和位错驱动的塑性流动。此外,原子轨迹表明温度对烧结的影响在很大程度上取决于Cu NPs的微观结构。高温会大大促进缺陷周围的原子扩散。另外,基于烧结结构,以恒定应变率进行了单轴拉伸模拟。得出了应力-应变曲线和位错活动的演变。在较高压力和温度下烧结的结构中获得了改善的机械性能,包括更大的弹性模量和更大的拉伸强度。在这项研究中,烧结温度和压力在影响聚结和烧结结构的机械性能方面始终表现出相同的相对影响。在较高的压力和温度下烧结的结构中获得了α-β。在这项研究中,烧结温度和压力在影响聚结和烧结结构的机械性能方面始终表现出相同的相对影响。在较高的压力和温度下烧结的结构中获得了α-β。在这项研究中,烧结温度和压力在影响聚结和烧结结构的机械性能方面始终表现出相同的相对影响。

更新日期:2020-10-15
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