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We model within the kinetic Monte Carlo method the initiation of neck formation and then later evolution of the resulting bridging regions for configurations involving small particles initially positioned fitted between large particles for situations typical for sintering of FCC nanocrystals, e.g., noble-metal nanoparticles. Neck initiation mechanisms by layering or clustering are identified. The stability of the resulting bridging configurations depends on several parameters, notably, on the relative small to large particle size ratio, and we explain recent experimental findings on improved sintering achieved for certain bimodal size distributions.
Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize crystalline
We report a kinetic Monte Carlo modeling study of nanocrystal layer sintering. Features that are of interest for the dynamics of the layer as a whole, especially the morphology of the evolving structure, are considered. It is found that the kinetics
We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which reported smoot
Nanoparticles usually exhibit pronounced anisotropic properties, and a close insight into the atomic-scale deformation mechanisms is of great interest. In present study, atomic simulations are conducted to analyze the compression of bcc nanoparticles
This work addresses the two great challenges of the spark plasma sintering (SPS) process: the sintering of complex shapes and the simultaneous production of multiple parts. A new controllable interface method is employed to concurrently consolidate t