当前位置:
X-MOL 学术
›
Ferroelectrics
›
论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Molecular dynamics simulation of thermal welding process of Ag nanoparticles
Ferroelectrics ( IF 0.8 ) Pub Date : 2020-08-17 , DOI: 10.1080/00150193.2020.1761706 Xiaoying Ren 1, 2 , Xiao Li 1, 2 , Chenchen Huang 1, 2 , Hailong Yin 1, 2 , Fengqi Wei 1, 2
Ferroelectrics ( IF 0.8 ) Pub Date : 2020-08-17 , DOI: 10.1080/00150193.2020.1761706 Xiaoying Ren 1, 2 , Xiao Li 1, 2 , Chenchen Huang 1, 2 , Hailong Yin 1, 2 , Fengqi Wei 1, 2
Affiliation
Abstract The thermal welding process of Ag nanoparticles was studied by molecular dynamics using embedded atoms method (EAM), and the melting point of Ag nanoparticles was analyzed by radial distribution function (RDF) and root mean square displacement (RMSD). The results show that for Ag nanoparticles with diameter less than 10 nm, driven by surface energy, the welding temperature will be much lower than the melting point when the spacing between nanoparticles is smaller than the radius of particle, the mechanism at low temperature is different from that at high temperature. The spontaneous rotation of nanoparticles during welding at suitable temperature makes the lattice orientation parallel to each other in three-dimensional space, which may be caused by collision of nanoparticles or short-range interaction near the surface. From the thermodynamic point of view, this behavior is driven by the reduction of surface energy, with the increase of temperature, the interface between particles will become chaotic gradually.
中文翻译:
银纳米粒子热焊接过程的分子动力学模拟
摘要 采用嵌入原子法(EAM)通过分子动力学研究了纳米银的热熔接过程,并通过径向分布函数(RDF)和均方根位移(RMSD)分析了纳米银的熔点。结果表明,对于直径小于10 nm的Ag纳米颗粒,在表面能驱动下,当纳米颗粒间距小于颗粒半径时,焊接温度将远低于熔点,低温下的机理不同。从那在高温。纳米粒子在适当温度下焊接时的自发旋转,使得三维空间中的晶格取向相互平行,这可能是由于纳米粒子的碰撞或表面附近的短程相互作用造成的。
更新日期:2020-08-17
中文翻译:
银纳米粒子热焊接过程的分子动力学模拟
摘要 采用嵌入原子法(EAM)通过分子动力学研究了纳米银的热熔接过程,并通过径向分布函数(RDF)和均方根位移(RMSD)分析了纳米银的熔点。结果表明,对于直径小于10 nm的Ag纳米颗粒,在表面能驱动下,当纳米颗粒间距小于颗粒半径时,焊接温度将远低于熔点,低温下的机理不同。从那在高温。纳米粒子在适当温度下焊接时的自发旋转,使得三维空间中的晶格取向相互平行,这可能是由于纳米粒子的碰撞或表面附近的短程相互作用造成的。