A carregar...

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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Jamali, Seyed Hossein, Hartkamp, Remco, Bardas, Christos, Söhl, Jakob, Vlugt, Thijs J. H., Moultos, Othonas A.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha: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: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!