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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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| Publicado no: | Data Brief |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7451828/ https://ncbi.nlm.nih.gov/pubmed/32904182 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2020.106094 |
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