Improved computational method to generate properly equilibrated atomistic microstructures

Atomistic simulations play an important role in unravelling the fundamental behavior of nanocrystalline (NC) metals/alloys. To ensure the validity of the simulated results, the initial NC structures must be representative of a real material to the extent possible. Using proper equilibration techniqu...

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Detalles Bibliográficos
Autores principales: Gupta, Ankit, Rajaram, Satish S., Thompson, Gregory B., Tucker, Garritt J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Method Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8374172/
https://www.ncbi.nlm.nih.gov/pubmed/34434740
http://dx.doi.org/10.1016/j.mex.2021.101217

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8374172/
https://www.ncbi.nlm.nih.gov/pubmed/34434740
http://dx.doi.org/10.1016/j.mex.2021.101217

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