Method to account for arbitrary strains in kinetic Monte Carlo simulations
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1102179
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Name: Physical Review B Journal Volume: 87 Journal Issue: 14; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Subramanian, Gopinath, Perez, Danny, Uberuaga, Blas P., Tomé, Carlos N., and Voter, Arthur F. Method to account for arbitrary strains in kinetic Monte Carlo simulations. United States: N. p., 2013.
Web. doi:10.1103/PhysRevB.87.144107.
Subramanian, Gopinath, Perez, Danny, Uberuaga, Blas P., Tomé, Carlos N., & Voter, Arthur F. Method to account for arbitrary strains in kinetic Monte Carlo simulations. United States. https://doi.org/10.1103/PhysRevB.87.144107
Subramanian, Gopinath, Perez, Danny, Uberuaga, Blas P., Tomé, Carlos N., and Voter, Arthur F. Mon .
"Method to account for arbitrary strains in kinetic Monte Carlo simulations". United States. https://doi.org/10.1103/PhysRevB.87.144107.
@article{osti_1102179,
title = {Method to account for arbitrary strains in kinetic Monte Carlo simulations},
author = {Subramanian, Gopinath and Perez, Danny and Uberuaga, Blas P. and Tomé, Carlos N. and Voter, Arthur F.},
abstractNote = {},
doi = {10.1103/PhysRevB.87.144107},
journal = {Physical Review B},
number = 14,
volume = 87,
place = {United States},
year = {Mon Apr 29 00:00:00 EDT 2013},
month = {Mon Apr 29 00:00:00 EDT 2013}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.87.144107
https://doi.org/10.1103/PhysRevB.87.144107
Other availability
Cited by: 25 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Monte Carlo Algorithms with Absorbing Markov Chains: Fast Local Algorithms for Slow Dynamics
journal, August 1995
- Novotny, M. A.
- Physical Review Letters, Vol. 75, Issue 7
Mean field rate theory and object kinetic Monte Carlo: A comparison of kinetic models
journal, December 2008
- Stoller, R. E.; Golubov, S. I.; Domain, C.
- Journal of Nuclear Materials, Vol. 382, Issue 2-3
Kinetic Monte-Carlo simulation of the homoepitaxial growth of MgO{001} thin films by molecular deposition
journal, March 2012
- Antoshchenkova, Ekaterina; Hayoun, Marc; Finocchi, Fabio
- Surface Science, Vol. 606, Issue 5-6
A new algorithm for Monte Carlo simulation of Ising spin systems
journal, January 1975
- Bortz, A. B.; Kalos, M. H.; Lebowitz, J. L.
- Journal of Computational Physics, Vol. 17, Issue 1
Calculation of proper energy barriers for atomistic kinetic Monte Carlo simulations on rigid lattice with chemical and strain field long-range effects using artificial neural networks
journal, February 2010
- Castin, N.; Malerba, L.
- The Journal of Chemical Physics, Vol. 132, Issue 7
Locally activated Monte Carlo method for long-time-scale simulations
journal, January 2000
- Kaukonen, M.; Peräjoki, J.; Nieminen, R. M.
- Physical Review B, Vol. 61, Issue 2
Irradiation creep by stress-induced preferential attraction due to anisotropic diffusion (SIPA-AD)
journal, July 1982
- Savino, E. J.; Tomé, C. N.
- Journal of Nuclear Materials, Vol. 108-109
Effects of tensile strain on Ag(111) epitaxial growth by kinetic Monte Carlo simulations
journal, June 2011
- Matsunaka, Daisuke; Shibutani, Yoji
- Journal of Physics: Condensed Matter, Vol. 23, Issue 26
Effect of atomic scale plasticity on hydrogen diffusion in iron: Quantum mechanically informed and on-the-fly kinetic Monte Carlo simulations
journal, October 2008
- Ramasubramaniam, A.; Itakura, M.; Ortiz, M.
- Journal of Materials Research, Vol. 23, Issue 10
Dislocation interaction with C in α-Fe: A comparison between atomic simulations and elasticity theory
journal, August 2008
- Clouet, Emmanuel; Garruchet, Sébastien; Nguyen, Hoang
- Acta Materialia, Vol. 56, Issue 14
Atomic transport in ordered compounds mediated by local disorder: Diffusion in
journal, February 2010
- Xu, Qingchuan; Van der Ven, Anton
- Physical Review B, Vol. 81, Issue 6
The displacements and polarization caused by point defects in ionic crystals
journal, April 1967
- Hardy, J. R.; Lidiard, A. B.
- Philosophical Magazine, Vol. 15, Issue 136
Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach
journal, October 2004
- Domain, C.; Becquart, C. S.; Malerba, L.
- Journal of Nuclear Materials, Vol. 335, Issue 1
Simple kinetic Monte Carlo models for dissolution pitting induced by crystal defects
journal, November 2008
- Meakin, Paul; Rosso, Kevin M.
- The Journal of Chemical Physics, Vol. 129, Issue 20
Structure and properties of vacancy and interstitial clusters in α-zirconium
journal, February 2008
- de Diego, N.; Osetsky, Yu. N.; Bacon, D. J.
- Journal of Nuclear Materials, Vol. 374, Issue 1-2
Point defects in face-centred cubic lattice—I distortion around defects
journal, March 1957
- Kanzaki, H.
- Journal of Physics and Chemistry of Solids, Vol. 2, Issue 1
Development of an interatomic potential for the simulation of phase transformations in zirconium
journal, May 2007
- Mendelev, M. I.; Ackland, G. J.
- Philosophical Magazine Letters, Vol. 87, Issue 5
The interaction of a screw dislocation with point defects in bcc iron
journal, August 2012
- Hayward, Erin; Deo, Chaitanya; Uberuaga, Blas P.
- Philosophical Magazine, Vol. 92, Issue 22
Phase stability and microstructural evolution in concentrated alloys under irradiation
journal, October 1993
- Martin, G.; Soisson, F.; Bellon, P.
- Journal of Nuclear Materials, Vol. 205
Cascade annealing simulations of bcc iron using object kinetic Monte Carlo
journal, April 2012
- Xu, Haixuan; Osetsky, Yury N.; Stoller, Roger E.
- Journal of Nuclear Materials, Vol. 423, Issue 1-3
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
Object kinetic Monte Carlo study of sink strengths
journal, February 2007
- Malerba, Lorenzo; Becquart, Charlotte S.; Domain, Christophe
- Journal of Nuclear Materials, Vol. 360, Issue 2
Dynamics of viscoplastic deformation in amorphous solids
journal, June 1998
- Falk, M. L.; Langer, J. S.
- Physical Review E, Vol. 57, Issue 6
Kinetic Monte Carlo simulations of void lattice formation during irradiation
journal, October 2003
- Heinisch†, H. L.; Singh, B. N.
- Philosophical Magazine, Vol. 83, Issue 31-34
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000
- Henkelman, Graeme; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22
Frequency factors and isotope effects in solid state rate processes
journal, January 1957
- Vineyard, George H.
- Journal of Physics and Chemistry of Solids, Vol. 3, Issue 1-2
Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table
journal, December 2001
- Henkelman, Graeme; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 115, Issue 21
Simulation of Three-Dimensional Strained Heteroepitaxial Growth Using Kinetic Monte Carlo
journal, November 2011
- Schulze, Tim P.; Smereka, Peter
- Communications in Computational Physics, Vol. 10, Issue 5
The long-range distortion caused by point defects
journal, December 1983
- Gillan, M. J.
- Philosophical Magazine A, Vol. 48, Issue 6
The atomic strain tensor
journal, July 1992
- Mott, Peter H.; Argon, Ali S.; Suter, Ulrich W.
- Journal of Computational Physics, Vol. 101, Issue 1
Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants
journal, May 2010
- Chatterjee, Abhijit; Voter, Arthur F.
- The Journal of Chemical Physics, Vol. 132, Issue 19
Strain dependence for microscopic growth parameters for Ag on Ag(100)
journal, April 2011
- Ratsch, C.
- Physical Review B, Vol. 83, Issue 15
Rapid Diffusion of Magic-Size Islands by Combined Glide and Vacancy Mechanism
journal, July 2009
- Uche, O. U.; Perez, D.; Voter, A. F.
- Physical Review Letters, Vol. 103, Issue 4
Strain-field effects on the formation and migration energies of self interstitials in from first principles
journal, March 2010
- Chen, Zhengzheng; Kioussis, Nicholas; Ghoniem, Nasr
- Physical Review B, Vol. 81, Issue 9
The elastic dipole tensor for point defects in ionic crystals
journal, March 1984
- Gillan, M. J.
- Journal of Physics C: Solid State Physics, Vol. 17, Issue 9