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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...
Autores principales: | Gupta, Ankit, Rajaram, Satish S., Thompson, Gregory B., Tucker, Garritt J. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2021
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Materias: | |
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 |
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