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Atomistic Mechanism of Grain Rotation-Induced Coalescence Growth during Coarsening
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DOI：10.1021/acs.cgd.5c01255.png)
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Abstract
En 中文
Grain rotation during coarsening has long been confirmed by experimental observations and theoretical analysis, and this rotation can significantly impact the coarsening kinetics. However, our understanding of the grain rotation mechanisms in semisolid regions is still limited due to limitations in in situ observation methods. In this work, we investigated the nanograin coarsening process with different solid volume fractions on the atomic length scale and diffusion time scale using the phase-field crystal model and dynamically demonstrated the grain rotation process during coarsening. We found that rotation is very familiar in the coarsening of crystalline nanoparticles, and the coarsening kinetics are more consistent with the prediction by the grain-rotation-coalescence mechanism. By tracking the rotation of all of the grains, we found that most of the rotated grains exhibit smaller rotation angles compared to the average, and the rotation is significantly affected by the neck number of the grains. Further, the coarsening processes of two-grain systems with different sizes, initial misorientations, and interfacial energies were also investigated. We found that the grain rotation velocity decreases with the increase of radius and grain boundary energy, which is consistent with the experimental results, but that increases with the increase of solid–liquid interfacial energy. In addition, by analyzing the grain rotation process and the neck growth process, we found that merging in two-grain systems occurs mainly through lattice diffusion, and the rotation-coalescence is affected by the crystallographic nature of the grain boundaries.
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