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.

Formation of embedded Co nanostructures in Cu(001) surface under electromigration

2020 ◽  
pp. 2150090
Author(s):  
S. V. Kolesnikov ◽  
A. L. Klavsyuk ◽  
A. M. Saletsky
Keyword(s):  
Monte Carlo ◽  
Current Density ◽  
Kinetic Monte Carlo ◽  
The Self ◽  
Atomic Scale ◽  
Self Organization ◽  
Simulation Results ◽  
Self Learning

Formation of embedded Co nanostructures in Cu(001) surface under electromigration is investigated on the atomic scale by performing self-learning kinetic Monte Carlo (kMC) simulations. The analysis of simulation results reveals the following important result. The electromigration of vacancies does not influence on the self-organization of Co nanostructures in the first layer of Cu(001) surface at all values of current density, which can be achieved in experiments.

scholarly journals A three dimensional kinetic Monte Carlo model for simulating the carbon/sulfur mesostructural evolutions of discharging lithium sulfur batteries

2020 ◽  
Vol 24 ◽  
pp. 472-485 ◽  
Author(s):  
Vigneshwaran Thangavel ◽  
Oscar Xavier Guerrero ◽  
Matias Quiroga ◽  
Adelphe Matsiegui Mikala ◽  
Alexis Rucci ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Three Dimensional ◽  
Lithium Sulfur Batteries ◽  
Lithium Sulfur

Monte Carlo modeling of production of three alpha-particles in low energy n +12C interactions

2021 ◽  
Vol 36 (25) ◽  
pp. 2150182
Author(s):  
Khusniddin K. Olimov ◽  
Vladimir V. Lugovoi ◽  
Kosim Olimov ◽  
Maratbek Shodmonov ◽  
Kadyr G. Gulamov ◽  
...  
Keyword(s):  
Experimental Data ◽  
Monte Carlo ◽  
Monte Carlo Model ◽  
Three Dimensional ◽  
Alpha Particles ◽  
Incident Neutron ◽  
Excitation Energies ◽  
Collision Event ◽  
Direct Decay ◽  
Calculation Results

To describe [Formula: see text] interactions with production of three [Formula: see text]-particles at incident neutron kinetic energy of 14 MeV in a nuclear (photo) emulsion, a Monte Carlo model is proposed for four channels of decay of an excited carbon-12 nucleus into three [Formula: see text]-particles. The Monte Carlo calculation results describe well the experimental data on the distribution of the angle between the three-dimensional momenta of all pairs of [Formula: see text]-particles in a collision event, on the distribution of the angle between the projections of the momentum vectors of all pairs of [Formula: see text]-particles in collision event on each of the coordinate planes, on the distribution of the sum of the kinetic energies of all pairs of [Formula: see text]-particles in a collision event, and the distribution of projections of the momenta of [Formula: see text]-particles on the coordinate planes. The best agreement of the Monte Carlo model results with the experimental data is achieved if the direct decay [Formula: see text] and decay through the formation of an intermediate beryllium nucleus [Formula: see text] are generated with equal probabilities, while the excitation energies of 3.04 MeV, 1.04 MeV, and 0.1 MeV for the beryllium nucleus are generated with relative weights of 75%, 15%, and 10%, respectively.

Kinetic Monte Carlo model for the COVID-19 epidemic: Impact of mobility restriction on a COVID-19 outbreak

2020 ◽  
Vol 102 (3) ◽  
Author(s):  
Leonardo Evaristo de Sousa ◽  
Pedro Henrique de Oliveira Neto ◽  
Demetrio Antônio da Silva Filho
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model
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