Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics

[Image: see text] A method is proposed for calculating the shear viscosity of a liquid from finite-size effects of self-diffusion coefficients in Molecular Dynamics simulations. This method uses the difference in the self-diffusivities, computed from at least two system sizes, and an analytic equati...

Description complète

Enregistré dans:
Détails bibliographiques
Publié dans:J Chem Theory Comput
Auteurs principaux: Jamali, Seyed Hossein, Hartkamp, Remco, Bardas, Christos, Söhl, Jakob, Vlugt, Thijs J. H., Moultos, Othonas A.
Format: Artigo
Langue:Inglês
Publié: American Chemical Society 2018
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6236468/
https://ncbi.nlm.nih.gov/pubmed/30296092
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00625
Tags: Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires