Modelling multi-scale material growth and erosion under energetic atomic deposition
نویسندگان
چکیده
We study crystalline surface evolution in extreme environments, where high-energy atoms impinge on a to cause sputtering, growth and roughening. For our model system, we the of Ni(111) under Ni atom bombardment, using Molecular Dynamics (MD) simulation Sutton-Chen force field, uppermost layers are free move, supported by thermostatically controlled above rigid template. The MD statistics sputtering sticking used aid development computationally efficient kinetic Monte Carlo (KMC) code. Comparisons between morphologies tune KMC rules so that key statistical features structures captured model. This is then employed explore predicted behaviour over length times scales much larger than those accessible MD. While MD-KMC approach well known, this application complex encountered energetic atomic bombardment illuminates complexities relating atomistic events morphological evolution. work shows how methodology can be extended provide predictive capabilities, paving way for design tools engineering processes such as plasma deposition film growth.
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ژورنال
عنوان ژورنال: Molecular Simulation
سال: 2022
ISSN: ['0892-7022', '1026-7638', '1029-0435']
DOI: https://doi.org/10.1080/08927022.2022.2097282