scholarly journals Grown-in beryllium diffusion in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study

2017 ◽  
Vol 125 ◽  
pp. 455-464 ◽  
Author(s):  
Wenyuan Liu ◽  
Mahasin Alam Sk ◽  
Sergei Manzhos ◽  
Ignacio Martin-Bragado ◽  
Francis Benistant ◽  
...  
Keyword(s):  
Gallium Arsenide ◽  
Monte Carlo ◽  
Ab Initio ◽  
Indium Gallium Arsenide ◽  
Kinetic Monte Carlo ◽  
Continuum Theory ◽  
Monte Carlo Study ◽  
Indium Gallium

scholarly journals Dopant–dopant interactions in beryllium doped indium gallium arsenide: An ab initio study

2018 ◽  
Vol 33 (4) ◽  
pp. 401-413 ◽  
Author(s):  
Vadym Kulish ◽  
Wenyuan Liu ◽  
Francis Benistant ◽  
Sergei Manzhos
Keyword(s):  
Gallium Arsenide ◽  
Ab Initio ◽  
Indium Gallium Arsenide ◽  
Ab Initio Study ◽  
Indium Gallium ◽  
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Abstract

Ab initio and kinetic Monte Carlo study of lithium diffusion in LiSi, Li12Si7, Li13Si5 and Li15Si4

2016 ◽  
Vol 328 ◽  
pp. 558-566 ◽  
Author(s):  
Janghyuk Moon ◽  
Byeongchan Lee ◽  
Maenghyo Cho ◽  
Kyeongjae Cho
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
Lithium Diffusion

Combined DFT and kinetic Monte Carlo study of a bridging-spillover mechanism on fluorine-decorating graphene

2020 ◽  
Author(s):  
Jing-hua Guo ◽  
Jin-Xiang Liu ◽  
Hongbo Wang ◽  
Haiying Liu ◽  
Gang Chen
Keyword(s):  
Monte Carlo ◽  
First Principles ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
First Principles Calculations ◽  
Graphene Surface

In this work, combining the first-principles calculations with kinetic Monte Carlo (KMC) simulations, we constructed an irregular carbon bridge on the graphene surface and explored the process of H migration...

scholarly journals A semi-grand canonical kinetic Monte Carlo study of single-walled carbon nanotube growth

AIP Advances ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 045306
Author(s):  
Georg Daniel Förster ◽  
Thomas D. Swinburne ◽  
Hua Jiang ◽  
Esko Kauppinen ◽  
Christophe Bichara
Keyword(s):  
Monte Carlo ◽  
Carbon Nanotube ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Carbon Nanotube Growth ◽  
Nanotube Growth ◽  
Grand Canonical

Kinetic Monte Carlo study of crystal growth from solution

2001 ◽  
Vol 138 (3) ◽  
pp. 250-263 ◽  
Author(s):  
Mirosława Rak ◽  
Marek Izdebski ◽  
Andrzej Brozi
Keyword(s):  
Monte Carlo ◽  
Crystal Growth ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
Growth From Solution
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