Free Energy Surfaces and Barriers for Vacancy Diffusion on Al(100), Al(110), Al(111) Reconstructed Surfaces

Metadynamics is a popular enhanced sampling method based on the recurrent application of a history-dependent adaptive bias potential that is a function of a selected number of appropriately chosen collective variables. In this work, using metadynamics simulations, we performed a computational study...

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Detalles Bibliográficos
Autores principales: Mokkath, Junais Habeeb, Muhammed, Mufasila Mumthaz, Chamkha, Ali J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746563/
https://www.ncbi.nlm.nih.gov/pubmed/35010027
http://dx.doi.org/10.3390/nano12010076

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746563/
https://www.ncbi.nlm.nih.gov/pubmed/35010027
http://dx.doi.org/10.3390/nano12010076

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