Computational Materials Science, volume 155, pages 209-215

Efficient energy basin finding method for atomistic kinetic Monte Carlo models

Publication type: Journal Article
Publication date: 2018-12-01
Quartile SCImago
Q1
Quartile WOS
Q3
Impact factor: 3.3
ISSN: 09270256
General Chemistry
General Physics and Astronomy
General Materials Science
Mechanics of Materials
Computational Mathematics
General Computer Science
Abstract
Presence of energy basins significantly slows down simulations with the kinetic Monte Carlo (kMC) method. Various methods of the kMC acceleration are available nowadays, but all of them require efficient energy basin finding algorithm. We present the algorithm providing significant acceleration of the kMC calculations. Use of the acceleration speeds up calculations and allows to reach experimental timescales in simulations. During the simulation of the Pt/Cu(1 1 1) surface alloy formation the acceleration is greater than 5000 times. Results of our simulation qualitatively agree with experiment.
By date By citations
By date By citations

Top-30

Journals

1
2
European Physical Journal B
European Physical Journal B, 2, 33.33%
European Physical Journal B
2 publications, 33.33%
Surface Science
Surface Science, 1, 16.67%
Surface Science
1 publication, 16.67%
Computational Materials Science
Computational Materials Science, 1, 16.67%
Computational Materials Science
1 publication, 16.67%
IEEE Magnetics Letters
IEEE Magnetics Letters, 1, 16.67%
IEEE Magnetics Letters
1 publication, 16.67%
Journal of Experimental and Theoretical Physics
Journal of Experimental and Theoretical Physics, 1, 16.67%
Journal of Experimental and Theoretical Physics
1 publication, 16.67%
1
2

Publishers

1
2
Springer Nature
Springer Nature, 2, 33.33%
Springer Nature
2 publications, 33.33%
Elsevier
Elsevier, 2, 33.33%
Elsevier
2 publications, 33.33%
Institute of Electrical and Electronics Engineers (IEEE)
Institute of Electrical and Electronics Engineers (IEEE), 1, 16.67%
Institute of Electrical and Electronics Engineers (IEEE)
1 publication, 16.67%
Pleiades Publishing
Pleiades Publishing, 1, 16.67%
Pleiades Publishing
1 publication, 16.67%
1
2
  • We do not take into account publications without a DOI.
  • Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
  • Statistics recalculated weekly.

Are you a researcher?

Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
Share
Cite this
GOST |
Cite this
GOST Copy
Dokukin S. A., Kolesnikov S. V., Saletsky A. M. Efficient energy basin finding method for atomistic kinetic Monte Carlo models // Computational Materials Science. 2018. Vol. 155. pp. 209-215.
GOST all authors (up to 50) Copy
Dokukin S. A., Kolesnikov S. V., Saletsky A. M. Efficient energy basin finding method for atomistic kinetic Monte Carlo models // Computational Materials Science. 2018. Vol. 155. pp. 209-215.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.commatsci.2018.08.045
UR - https://doi.org/10.1016/j.commatsci.2018.08.045
TI - Efficient energy basin finding method for atomistic kinetic Monte Carlo models
T2 - Computational Materials Science
AU - Dokukin, S A
AU - Kolesnikov, S. V.
AU - Saletsky, A. M.
PY - 2018
DA - 2018/12/01
PB - Elsevier
SP - 209-215
VL - 155
SN - 0927-0256
ER -
BibTex
Cite this
BibTex Copy
@article{2018_Dokukin,
author = {S A Dokukin and S. V. Kolesnikov and A. M. Saletsky},
title = {Efficient energy basin finding method for atomistic kinetic Monte Carlo models},
journal = {Computational Materials Science},
year = {2018},
volume = {155},
publisher = {Elsevier},
month = {dec},
url = {https://doi.org/10.1016/j.commatsci.2018.08.045},
pages = {209--215},
doi = {10.1016/j.commatsci.2018.08.045}
}
Found error?