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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
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| Materias: | |
| 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 |