Data sets and trained neural networks for Cu migration barriers

Kinetic Monte Carlo (KMC) is an efficient method for studying diffusion. A limiting factor to the accuracy of KMC is the number of different migration events allowed in the simulation. Each event requires its own migration energy barrier. The calculation of these barriers may be unfeasibly expensive...

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Detalles Bibliográficos
Autores principales: Kimari, Jyri, Jansson, Ville, Vigonski, Simon, Baibuz, Ekaterina, Domingos, Roberto, Zadin, Vahur, Djurabekova, Flyura
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Materials Science
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7451828/
https://www.ncbi.nlm.nih.gov/pubmed/32904182
http://dx.doi.org/10.1016/j.dib.2020.106094

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7451828/
https://www.ncbi.nlm.nih.gov/pubmed/32904182
http://dx.doi.org/10.1016/j.dib.2020.106094

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