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Structure of a tethered polymer under flow using molecular dynamics and hybrid molecular-continuum simulations

✍ Scribed by Rafael Delgado-Buscalioni; Peter V. Coveney

Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
210 KB
Volume
362
Category
Article
ISSN
0378-4371

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## Abstract The molecular dynamics (MD)–continuum hybrid simulation method has been developed in two aspects in the present work: (1) The energy equation has been combined into the coupling method in order to obtain the hybrid temperature profile and (2) the coupling method has been improved by the