A Molecular Dynamics Simulation for Thermal Activation Process in Covalent Bond Dissociation of a Crosslinked Thermosetting Polymer

A novel algorithm for covalent bond dissociation is developed to accurately predict fracture behavior of thermosetting polymers via molecular dynamics simulation. This algorithm is based on the Monte Carlo method that considers the difference in local strain and bond-dissociation energies to reprodu...

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Detalles Bibliográficos
Autores principales: Yamada, Naoki, Oya, Yutaka, Kato, Nobuhiko, Mori, Kazuki, Koyanagi, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10056341/
https://www.ncbi.nlm.nih.gov/pubmed/36985707
http://dx.doi.org/10.3390/molecules28062736

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10056341/
https://www.ncbi.nlm.nih.gov/pubmed/36985707
http://dx.doi.org/10.3390/molecules28062736

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