Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps

Atomistic rigid lattice Kinetic Monte Carlo (KMC) is an efficient method for simulating nano-objects and surfaces at timescales much longer than those accessible by molecular dynamics. A laborious and non-trivial part of constructing any KMC model is, however, to calculate all migration barriers tha...

Descripción completa

Detalles Bibliográficos
Autores principales: Baibuz, Ekaterina, Vigonski, Simon, Lahtinen, Jyri, Zhao, Junlei, Jansson, Ville, Zadin, Vahur, Djurabekova, Flyura
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Materials Science
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5988389/
https://www.ncbi.nlm.nih.gov/pubmed/29876431
http://dx.doi.org/10.1016/j.dib.2018.01.066

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5988389/
https://www.ncbi.nlm.nih.gov/pubmed/29876431
http://dx.doi.org/10.1016/j.dib.2018.01.066

Ejemplares similares