Mathematical Models and Computer Simulations, volume 10, issue 5, pages 564-587
Kinetic Monte Carlo Method: Mathematical Foundations and Applications for Physics of Low-Dimensional Nanostructures
Publication type: Journal Article
Publication date: 2018-09-20
Quartile SCImago
Q3
Quartile WOS
—
Impact factor: —
ISSN: 20700482, 20700490
Computational Mathematics
Modeling and Simulation
Abstract
The kinetic Monte Carlo (kMC) method is an indispensable method for studying atomic and molecular systems, which makes it possible to solve a wide range of problems associated with atomic diffusion, the formation of defects and chemical compounds of various types, as well as the growth and self-organization of nanostructures. In this paper, we consider the fundamentals of the kMC and its modern modifications, both rigid-lattice and off-lattice. Particular attention is focused on constructing self-learning algorithms based on different methods for finding the saddle points of potential energy and on the techniques for the acceleration of the Monte Carlo method. Every considered method is illustrated by relevant examples mostly associated with the physics of metal surfaces.
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Kolesnikov S. V. et al. Kinetic Monte Carlo Method: Mathematical Foundations and Applications for Physics of Low-Dimensional Nanostructures // Mathematical Models and Computer Simulations. 2018. Vol. 10. No. 5. pp. 564-587.
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Kolesnikov S. V., Saletsky A. M., Dokukin S. A., Klavsyuk A. L. Kinetic Monte Carlo Method: Mathematical Foundations and Applications for Physics of Low-Dimensional Nanostructures // Mathematical Models and Computer Simulations. 2018. Vol. 10. No. 5. pp. 564-587.
Cite this
RIS
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TY - JOUR
DO - 10.1134/s2070048218050071
UR - https://doi.org/10.1134/s2070048218050071
TI - Kinetic Monte Carlo Method: Mathematical Foundations and Applications for Physics of Low-Dimensional Nanostructures
T2 - Mathematical Models and Computer Simulations
AU - Kolesnikov, S. V.
AU - Saletsky, A. M.
AU - Dokukin, S A
AU - Klavsyuk, A. L.
PY - 2018
DA - 2018/09/20
PB - Pleiades Publishing
SP - 564-587
IS - 5
VL - 10
SN - 2070-0482
SN - 2070-0490
ER -
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BibTex
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@article{2018_Kolesnikov,
author = {S. V. Kolesnikov and A. M. Saletsky and S A Dokukin and A. L. Klavsyuk},
title = {Kinetic Monte Carlo Method: Mathematical Foundations and Applications for Physics of Low-Dimensional Nanostructures},
journal = {Mathematical Models and Computer Simulations},
year = {2018},
volume = {10},
publisher = {Pleiades Publishing},
month = {sep},
url = {https://doi.org/10.1134/s2070048218050071},
number = {5},
pages = {564--587},
doi = {10.1134/s2070048218050071}
}
Cite this
MLA
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Kolesnikov, S. V., et al. “Kinetic Monte Carlo Method: Mathematical Foundations and Applications for Physics of Low-Dimensional Nanostructures.” Mathematical Models and Computer Simulations, vol. 10, no. 5, Sep. 2018, pp. 564-587. https://doi.org/10.1134/s2070048218050071.