Monte Carlo Simulations of Crystal Growth

@inproceedings{ZepedaRuiz2015MonteCS,
  title={Monte Carlo Simulations of Crystal Growth},
  author={Luis A. Zepeda-Ruiz and George H. Gilmer},
  year={2015}
}
Abstract Atomistic models are advancing our understanding of crystal growth at an increasing rate, benefiting from rapidly increasing computational power. This chapter discusses Monte Carlo simulations that are focused on fundamental aspects of film deposition on foreign substrates. The simulations demonstrate the influence on film nucleation and growth of the degree of wetting between the film and substrate, the substrate temperature, and the Ehrlich-Schwoebel barrier to diffusion over steps… Expand
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References

SHOWING 1-10 OF 53 REFERENCES
Lattice Monte Carlo models of thin film deposition
Monte Carlo models of crystal growth have contributed to the theoretical understanding of thin film deposition, and are now becoming available as tools to assist in device fabrication. Because theyExpand
Monte Carlo simulation of simple models for thin film growth by MBE
Abstract We report an extensive Monte Carlo study of film growth by molecular beam epitaxy. A solid-on-solid model is used on L × L substrate sizes, with periodic boundary conditions. Both depositionExpand
Kinetic Monte Carlo simulation of Cu thin film growth
Abstract A three-dimensional kinetic Monte Carlo technique has been developed for simulating the growth of thin Cu films. The model involves incident atom attachment, surface diffusion of the atomsExpand
Morphological evolution during epitaxial thin film growth: Formation of 2D islands and 3D mounds
Abstract Homoepitaxy provides an ideal testing ground for fundamental concepts in film growth. The rich variety of complex far-from-equilibrium morphologies which can form during deposition contrastsExpand
Simulation of Crystal Growth with Surface Diffusion
A computer simulation model is described which applies to the molecular processes involved in crystal growth under very general growth conditions. The transition probabilities used for adding andExpand
Simulating micrometre-scale crystal growth from solution
TLDR
The urea–solvent interface at the nanometre scale is studied and kinetic Monte Carlo simulations of the micrometre-scale three-dimensional growth of urea crystals are reported, offering insights into the role of the solvent, the degree of supersaturation, and the contribution that extended defects make to crystal growth. Expand
Atomistic Monte Carlo simulations of three-dimensional polycrystalline thin films
An atomistic Monte Carlo code to simulate the deposition and annealing of three-dimensional polycrystalline thin films is presented. Atoms impinge on the substrate with selected angularExpand
Multiscale approaches for metal thin film growth
Two recently developed multiscale approaches for simulations of metalization morphologies under ionized sputter deposition conditions are reviewed. These methods are capable of predicting the growthExpand
Surface morphology evolution during sputter deposition of thin films – lattice Monte Carlo simulations
Abstract The growth of uniform thin films on foreign substrates is impeded by several morphological instabilities. Hill-and-valley structures are formed and enhanced during sputter deposition whereExpand
A Monte Carlo simulation of the physical vapor deposition of nickel
Abstract A two-step Monte Carlo method for atomistically simulating low energy physical vapor deposition processes is developed and used to model the two-dimensional physical vapor deposition ofExpand
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