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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...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Julkaisussa:Sci Rep
Päätekijät: Nafar Sefiddashti, M. H., Boudaghi-Khajehnobar, M., Edwards, B. J., Khomami, B.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Nature Publishing Group UK 2020
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC7064535/
https://ncbi.nlm.nih.gov/pubmed/32157144
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-61374-8
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