Extracting site-specific reaction rates from steady state surface morphologies: Kinetic Monte Carlo simulations of aqueous Si(111) etching

The Journal of Chemical Physics ◽

10.1063/1.475944 ◽

1998 ◽

Vol 108 (13) ◽

pp. 5542-5553 ◽

Author(s):

Jaroslav Flidr ◽

Yi-Chiau Huang ◽

Theresa A. Newton ◽

Melissa A. Hines

Keyword(s):

Monte Carlo ◽

Steady State ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Reaction Rates ◽

Site Specific ◽

Specific Reaction ◽

Kinetic Monte Carlo Simulations ◽

Surface Morphologies

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Steady state likelihood ratio sensitivity analysis for stiff kinetic Monte Carlo simulations

The Journal of Chemical Physics ◽

10.1063/1.4905957 ◽

2015 ◽

Vol 142 (4) ◽

pp. 044108 ◽

Author(s):

M. Núñez ◽

D. G. Vlachos

Keyword(s):

Sensitivity Analysis ◽

Monte Carlo ◽

Steady State ◽

Monte Carlo Simulations ◽

Likelihood Ratio ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulations

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Steady-State CO Oxidation on Pd(111): First-Principles Kinetic Monte Carlo Simulations and Microkinetic Analysis

Topics in Catalysis ◽

10.1007/s11244-016-0725-5 ◽

2016 ◽

Vol 60 (1-2) ◽

pp. 141-151 ◽

Author(s):

Simone Piccinin ◽

Michail Stamatakis

Keyword(s):

Monte Carlo ◽

Steady State ◽

Monte Carlo Simulations ◽

Co Oxidation ◽

First Principles ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulations

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Dissolution and growth of calcite in flowing water: estimation of back reaction rates via kinetic Monte Carlo simulations

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2003.10.015 ◽

2004 ◽

Vol 262 (1-4) ◽

pp. 503-518 ◽

Author(s):

R.E Williford ◽

D.R Baer ◽

J.E Amonette ◽

A.S Lea

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Reaction Rates ◽

Back Reaction ◽

Flowing Water ◽

Kinetic Monte Carlo Simulations

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The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Carlo simulations

Computer Physics Communications ◽

10.1016/j.cpc.2018.05.013 ◽

2018 ◽

Vol 232 ◽

pp. 124-138 ◽

Author(s):

Chris Nellis ◽

Thomas Danielson ◽

Aditya Savara ◽

Celine Hin

Keyword(s):

Monte Carlo ◽

Steady State ◽

Monte Carlo Simulations ◽

Kinetic Monte Carlo ◽

Detection Technique ◽

State Detection ◽

Kinetic Monte Carlo Simulations ◽

Rolling Windows

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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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