Efficient prediction of temperature-dependent elastic and mechanical properties of 2D materials

An efficient automated toolkit for predicting the mechanical properties of materials can accelerate new materials design and discovery; this process often involves screening large configurational space in high-throughput calculations. Herein, we present the ElasTool toolkit for these applications. I...

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Detalles Bibliográficos
Autores principales: Kastuar, S. M., Ekuma, C. E., Liu, Z. -L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8904584/
https://www.ncbi.nlm.nih.gov/pubmed/35260681
http://dx.doi.org/10.1038/s41598-022-07819-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8904584/
https://www.ncbi.nlm.nih.gov/pubmed/35260681
http://dx.doi.org/10.1038/s41598-022-07819-8

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