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A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture

[Image: see text] We model bond formation and dissociation processes in thermosetting polymer networks from molecular dynamics simulations. For this, a coarsened molecular mechanics model is derived from quantum calculations to provide effective interaction potentials that enable million-atoms scale...

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Detalles Bibliográficos
Autores principales: Konrad, Julian, Meißner, Robert H., Bitzek, Erik, Zahn, Dirk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9954341/
https://www.ncbi.nlm.nih.gov/pubmed/36855655
http://dx.doi.org/10.1021/acspolymersau.1c00016