A study on mutual interaction between atomistic and macroscopic phenomena during electrochemical processes using coupled finite difference – kinetic Monte Carlo model: Application to potential step test in simple copper sulfate bath

2006 ◽  
Vol 588 (2) ◽  
pp. 267-284 ◽  
Author(s):  
Amirmehdi Saedi
Keyword(s):  
Monte Carlo ◽  
Finite Difference ◽  
Copper Sulfate ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Mutual Interaction ◽  
Step Test ◽  
Model Application ◽  
Electrochemical Processes ◽  
Sulfate Bath

Kinetic Monte Carlo model for the COVID-19 epidemic: Impact of mobility restriction on a COVID-19 outbreak

2020 ◽  
Vol 102 (3) ◽  
Author(s):  
Leonardo Evaristo de Sousa ◽  
Pedro Henrique de Oliveira Neto ◽  
Demetrio Antônio da Silva Filho
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model

scholarly journals A new methodology to calculate process rates in a kinetic Monte Carlo model of PAH growth

2019 ◽  
Vol 209 ◽  
pp. 133-143 ◽  
Author(s):  
Gustavo Leon ◽  
Nick Eaves ◽  
Jethro Akroyd ◽  
Sebastian Mosbach ◽  
Markus Kraft
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model

An all-atom kinetic Monte Carlo model for chemical vapor deposition growth of graphene on Cu(1 1 1) substrate

2020 ◽  
Vol 32 (15) ◽  
pp. 155401 ◽  
Author(s):  
Shuai Chen ◽  
Junfeng Gao ◽  
Bharathi M Srinivasan ◽  
Gang Zhang ◽  
Viacheslav Sorkin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Chemical Vapor ◽  
Chemical Vapor Deposition Growth

Electroplating of Through Silicon Vias: A Kinetic Monte Carlo Model

2019 ◽  
Author(s):  
Lai MingRui ◽  
Ramanarayan Hariharaputran ◽  
Khoong Hong Khoo ◽  
Jin Hongmei ◽  
Shunnian Wu ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Through Silicon Vias ◽  
Silicon Vias

scholarly journals Radiation-induced segregation in W-Re: from kinetic Monte Carlo simulations to atom probe tomography experiments

2019 ◽  
Vol 92 (10) ◽  
Author(s):  
Matthew J. Lloyd ◽  
Robert G. Abernethy ◽  
David E. J. Armstrong ◽  
Paul A. J. Bagot ◽  
Michael P. Moody ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Atom Probe Tomography ◽  
Ion Irradiation ◽  
Kinetic Monte Carlo ◽  
Cluster Formation ◽  
Monte Carlo Model ◽  
Atom Probe ◽  
Solubility Limit ◽  
Radiation Induced ◽  
Kinetic Monte Carlo Simulations

Abstract A viable fusion power station is reliant on the development of plasma facing materials that can withstand the combined effects of high temperature operation and high neutron doses. In this study we focus on W, the most promising candidate material. Re is the primary transmutation product and has been shown to induce embrittlement through cluster formation and precipitation below its predicted solubility limit in W. We investigate the mechanism behind this using a kinetic Monte Carlo model, implemented into Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) code and parameterised with a pairwise energy model for both interstitial and vacancy type defects. By introducing point defect sinks into our simulation cell, we observe the formation of Re rich clusters which have a concentration similar to that observed in ion irradiation experiments. We also compliment our computational work with atom probe tomography (APT) of ion implanted, model W-Re alloys. The segregation of Re to grain boundaries is observed in both our APT and KMC simulations. Graphical abstract

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