Consistent Temperature Coupling with Thermal Fluctuations of Smooth Particle Hydrodynamics and Molecular Dynamics

We propose a thermodynamically consistent and energy-conserving temperature coupling scheme between the atomistic and the continuum domain. The coupling scheme links the two domains using the DPDE (Dissipative Particle Dynamics at constant Energy) thermostat and is designed to handle strong temperat...

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Detalles Bibliográficos
Autores principales: Ganzenmüller, Georg C., Hiermaier, Stefan, Steinhauser, Martin O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2012
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3530546/
https://www.ncbi.nlm.nih.gov/pubmed/23300586
http://dx.doi.org/10.1371/journal.pone.0051989

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3530546/
https://www.ncbi.nlm.nih.gov/pubmed/23300586
http://dx.doi.org/10.1371/journal.pone.0051989

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