A Three Dimensional Kinetic Monte Carlo Defect-Free Crystal Dissolution Model for Biological Systems, with Application to Uncertainty Analysis and Robust Optimization

2021 ◽  
pp. 107586
Author(s):  
Donovan Chaffart ◽  
Luis A. Ricardez-Sandoval
Keyword(s):  
Monte Carlo ◽  
Robust Optimization ◽  
Uncertainty Analysis ◽  
Kinetic Monte Carlo ◽  
Biological Systems ◽  
Three Dimensional ◽  
Crystal Dissolution ◽  
Dissolution Model

GREEN'S FUNCTION AND SUPER-PARTICLE METHODS FOR KINETIC SIMULATION OF HETEROEPITAXY

2007 ◽  
Vol 21 (23n24) ◽  
pp. 4219-4224 ◽  
Author(s):  
CHI-HANG LAM ◽  
M. T. LUNG
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Green’S Function ◽  
Green's Function ◽  
Kinetic Monte Carlo ◽  
Three Dimensional ◽  
Particle Methods ◽  
Kinetic Simulation ◽  
Kinetic Monte Carlo Method

Arrays of nanosized three dimensional islands are known to self-assemble spontaneously on strained heteroepitaxial thin films. We simulate the dynamics using kinetic Monte Carlo method based on a ball and spring lattice model. Green's function and super-particle methods which greatly enhance the computational efficiency are explained.

Monte Carlo Study of the Hetero-Polytypical Growth of Cubic on Hexagonal Silicon Carbide Polytypes

2013 ◽  
Vol 740-742 ◽  
pp. 295-300 ◽  
Author(s):  
Massimo Camarda ◽  
Antonino La Magna ◽  
Francesco La Via
Keyword(s):  
Silicon Carbide ◽  
Monte Carlo ◽  
Epitaxial Film ◽  
Kinetic Monte Carlo ◽  
Three Dimensional ◽  
Monte Carlo Study ◽  
Kinetic Monte Carlo Simulations ◽  
Cubic Silicon Carbide ◽  
Silicon Carbide Polytype

We use three dimensional kinetic Monte Carlo simulations on super-lattices to study the hetero-polytypical growth of cubic silicon carbide polytype (3C-SiC) on misoriented hexagonal (4H and 6H) substrates finding that the growth on misoriented (4°-10° degree off) 6H substrates, with step bunched surfaces, can strongly improve the quality of the cubic epitaxial film promoting 3C single domain growths

scholarly journals Self-learning kinetic Monte Carlo model for arbitrary surface orientations

2013 ◽  
Vol 1559 ◽  
Author(s):  
Andreas Latz ◽  
Lothar Brendel ◽  
Dietrich E. Wolf
Keyword(s):  
Monte Carlo ◽  
Specific Surface ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Three Dimensional ◽  
The Self ◽  
Transition Rates ◽  
Local Orientation ◽  
Realistic Potential ◽  
Self Learning

ABSTRACTWhile the self-learning kinetic Monte Carlo (SLKMC) method enables the calculation of transition rates from a realistic potential, implementations of it were usually limited to one specific surface orientation. An example is the fcc (111) surface in Latz et al. 2012, J. Phys.: Condens. Matter 24, 485005. This work provides an extension by means of detecting the local orientation, and thus allows for the accurate simulation of arbitrarily shaped surfaces. We applied the model to the diffusion of Ag monolayer islands and voids on a Ag(111) and Ag(001) surface, as well as the relaxation of a three-dimensional spherical particle.

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