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Molecular dynamics simulation of thermal welding morphology of Ag/Au/Cu nanoparticles distributed on Si substrates
Ferroelectrics ( IF 0.8 ) Pub Date : 2020-08-17 , DOI: 10.1080/00150193.2020.1761698
Xiaoying Ren 1, 2 , Xiao Li 1, 2 , Chenchen Huang 1, 2 , Hailong Yin 1, 2 , Fengqi Wei 1, 2
Affiliation  

Abstract The behavior of Ag/Au/Cu nanoparticles dispersed on Si substrates during heat treatment was studied by molecular dynamics in this paper. Whether for the thermal welding of homogeneous metal nanoparticles or heterogeneous metal nanoparticles, it was found that the fundamental reason for the contact between the surface of metal nanoparticles is the electron exchange, which reduces the energy of the system and leads to welding contact, then the atoms migrate toward the interior of nanoparticles through nucleation and growth process, resulting in the decrease of the porosity and the shrinkage of the sample. At the same time, the simulation results show that when the applied temperature rises to a certain extent, the adjacent nanoparticles may condense into isolated structures under their own surface tension and stress, as well as the adhesion of the substrate, which will make the conductive structure discontinuous. However, by adjusting the size and proportion of Ag/Au/Cu metal nanoparticles, besides saving the cost of printing circuits, the conductive structure can be more continuous and the conductivity can be enhanced.

中文翻译:

分布在 Si 衬底上的 Ag/Au/Cu 纳米颗粒的热焊接形貌的分子动力学模拟

摘要 本文通过分子动力学研究了Ag/Au/Cu 纳米颗粒在热处理过程中分散在Si 衬底上的行为。无论是均质金属纳米粒子还是异质金属纳米粒子的热焊接,人们发现金属纳米粒子表面接触的根本原因是电子交换,这降低了系统的能量并导致焊接接触,然后原子通过成核和生长过程向纳米粒子内部迁移,导致样品的孔隙率降低和收缩。同时,模拟结果表明,当外加温度升高到一定程度时,相邻的纳米粒子可能会在自身的表面张力和应力作用下凝聚成孤立的结构,以及基材的附着力,会使导电结构不连续。然而,通过调整Ag/Au/Cu金属纳米粒子的尺寸和比例,除了可以节省印刷电路的成本外,还可以使导电结构更加连续,增强导电性。
更新日期:2020-08-17
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