Dendritic growth shapes in kinetic Monte Carlo models

For the most part, the study of dendritic crystal growth has focused on continuum models featuring surface energies that yield six pointed dendrites. In such models, the growth shape is a function of the surface energy anisotropy, and recent work has shown that considering a broader class of anisotr...

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Bibliographic Details
Published in:Modelling and simulation in materials science and engineering 2017-03, Vol.25 (2), p.25009
Main Authors: Krumwiede, Tim R, Schulze, Tim P
Format: Article
Language:English
Subjects:
crystal geometry
dendritic crystal growth
kinetic Monte Carlo
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Summary:For the most part, the study of dendritic crystal growth has focused on continuum models featuring surface energies that yield six pointed dendrites. In such models, the growth shape is a function of the surface energy anisotropy, and recent work has shown that considering a broader class of anisotropies yields a correspondingly richer set of growth morphologies. Motivated by this work, we generalize nanoscale models of dendritic growth based on kinetic Monte Carlo simulation. In particular, we examine the effects of extending the truncation radius for atomic interactions in a bond-counting model. This is done by calculating the model's corresponding surface energy and equilibrium shape, as well as by running KMC simulations to obtain nanodendritic growth shapes. Additionally, we compare the effects of extending the interaction radius in bond-counting models to that of extending the number of terms retained in the cubic harmonic expansion of surface energy anisotropy in the context of continuum models.
ISSN:0965-0393
1361-651X
DOI:10.1088/1361-651X/aa549f