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Simulation of silver nanoparticles sintering at high temperatures based on theoretical evaluations of surface and grain boundary mobilities

Abstract In this study, we deal with simulation of mass transport by evaporation/condensation and grain boundary motion during sintering of silver nanoparticles (Ag NPs) at high temperatures. To overcome a lack of experimental data, we derive from thermodynamics a method for evaluating specifically the grain boundary mobility of silver in the relevant range of temperature. The two sintering mechanisms are then implemented in a program dedicated to simulation of evolving surfaces shaped by driving forces. Pairs of Ag NPs with different size ratios and an aggregate of polydisperse Ag NPs are simulated to investigate the microstructural changes under high temperature sintering.