High-fidelity scaling relationships for determining dissipative particle dynamics parameters from atomistic molecular dynamics simulations of polymeric liquids

An optimized Dissipative Particle Dynamics (DPD) model with simple scaling rules was developed for simulating entangled linear polyethylene melts. The scaling method, which can be used for mapping dimensionless (reduced units) DPD simulation data to physical units, was based on scaling factors for t...

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Detalles Bibliográficos
Autores principales: Nafar Sefiddashti, M. H., Boudaghi-Khajehnobar, M., Edwards, B. J., Khomami, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7064535/
https://www.ncbi.nlm.nih.gov/pubmed/32157144
http://dx.doi.org/10.1038/s41598-020-61374-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7064535/
https://www.ncbi.nlm.nih.gov/pubmed/32157144
http://dx.doi.org/10.1038/s41598-020-61374-8

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