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Molecular Simulations of Thermomechanical Properties of Epoxy-Amine Resins

[Image: see text] All-atom molecular dynamics (MD) simulations were performed with the CHARMM force field to characterize various epoxy resins, such as aliphatic and bisphenol-based resins. A multistep cross-linking algorithm was established, and key properties such as density, glass temperature, an...

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Detalles Bibliográficos
Autores principales: Orselly, Mathilde, Devemy, Julien, Bouvet-Marchand, Agathe, Dequidt, Alain, Loubat, Cédric, Malfreyt, Patrice
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9434774/
https://www.ncbi.nlm.nih.gov/pubmed/36061676
http://dx.doi.org/10.1021/acsomega.2c03071