Effects of Surface Diffusion in Electrocatalytic CO2 Reduction on Cu Revealed by Kinetic Monte Carlo Simulations

The Journal of Chemical Physics ◽

10.1063/5.0068517 ◽

2021 ◽

Author(s):

Jinghan Li ◽

Ilaria Maresi ◽

Yanwei Lum ◽

Joel W. Ager III

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Surface Diffusion ◽

Kinetic Monte Carlo ◽

Font Size ◽

Kinetic Monte Carlo Simulations

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Bulk and surface diffusion of neodymium in alpha-uranium: Ab initio calculations and kinetic Monte Carlo simulations

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2021.153307 ◽

2021 ◽

pp. 153307

Author(s):

Chao Jiang ◽

Larry K. Aagesen ◽

David Andersson ◽

Christopher Matthews ◽

Fergany Badry

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Ab Initio Calculations ◽

Ab Initio ◽

Surface Diffusion ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulations

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Numerical Assessment of Theoretical Error Estimates in Coarse-Grained Kinetic Monte Carlo Simulations: Application to Surface Diffusion

International Journal for Multiscale Computational Engineering ◽

10.1615/intjmultcompeng.v3.i1.50 ◽

2005 ◽

Vol 3 (1) ◽

pp. 59-70 ◽

Author(s):

Abhijit Chatterjee ◽

Dionisios G. Vlachos ◽

Markos A. Katsoulakis

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Surface Diffusion ◽

Error Estimates ◽

Kinetic Monte Carlo ◽

Coarse Grained ◽

Theoretical Error ◽

Numerical Assessment ◽

Kinetic Monte Carlo Simulations

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Stochastic Perturbation Algorithms for Kinetic Monte Carlo Simulations

SNA + MC 2013 - Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo ◽

10.1051/snamc/201403407 ◽

2014 ◽

Author(s):

Hyung Jin Shim

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Stochastic Perturbation ◽

Kinetic Monte Carlo Simulations

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Zero-variance schemes for kinetic Monte Carlo simulations

The European Physical Journal Plus ◽

10.1140/epjp/s13360-020-00387-8 ◽

2020 ◽

Vol 135 (5) ◽

Author(s):

Davide Mancusi ◽

Andrea Zoia

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulations

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Kinetic Monte Carlo simulations of vacancy diffusion in nondilute Ni- X ( X = Re, W, Ta) alloys

Physical Review Materials ◽

10.1103/physrevmaterials.2.123403 ◽

2018 ◽

Vol 2 (12) ◽

Author(s):

Maximilian Grabowski ◽

Jutta Rogal ◽

Ralf Drautz

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Vacancy Diffusion ◽

Kinetic Monte Carlo Simulations

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Kinetic Monte Carlo Simulations of the Grain-surface Back-diffusion Effect

The Astrophysical Journal ◽

10.3847/1538-4357/aa6ea7 ◽

2017 ◽

Vol 840 (2) ◽

pp. 61 ◽

Author(s):

Eric R. Willis ◽

Robin T. Garrod

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Back Diffusion ◽

Diffusion Effect ◽

Kinetic Monte Carlo Simulations ◽

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Effect of quantum confinement of surface electrons on an atomic motion on nanoislands:Ab initiocalculations and kinetic Monte Carlo simulations

Physical Review B ◽

10.1103/physrevb.78.041405 ◽

2008 ◽

Vol 78 (4) ◽

Author(s):

A. S. Smirnov ◽

N. N. Negulyaev ◽

L. Niebergall ◽

W. Hergert ◽

A. M. Saletsky ◽

...

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Quantum Confinement ◽

Kinetic Monte Carlo ◽

Atomic Motion ◽

Surface Electrons ◽

Kinetic Monte Carlo Simulations

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Effects of growth conditions on heteroepitaxial thin films: Fast kinetic Monte Carlo simulations

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2014.09.050 ◽

2015 ◽

Vol 409 ◽

pp. 27-31 ◽

Author(s):

M. Klawtanong ◽

C. Srinitiwarawong ◽

P. Chatraphorn

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Growth Conditions ◽

Kinetic Monte Carlo Simulations ◽

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Temporal coarse-graining of microscopic-lattice kinetic Monte Carlo simulations viaτleaping

Physical Review E ◽

10.1103/physreve.78.046713 ◽

2008 ◽

Vol 78 (4) ◽

Author(s):

D. G. Vlachos

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Coarse Graining ◽

Kinetic Monte Carlo Simulations

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Kinetic Monte Carlo simulations of adatom island decay on Cu(111)

Physical Review B ◽

10.1103/physrevb.64.115428 ◽

2001 ◽

Vol 64 (11) ◽

Author(s):

Mats I. Larsson

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulations

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