Literature DB >> 12097096

Dynamics of an inhomogeneously coarse grained multiscale system.

Stefano Curtarolo1, Gerbrand Ceder.   

Abstract

To study material phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels are necessary. Attempts to do this in the static regime (i.e., zero temperature) have already been developed. We present an approach that leads to a dynamics for such coarse grained models. This allows us to obtain temperature-dependent and transport properties. Renormalization group theory is used to create new local potential models between nodes, within the approximation of local thermodynamical equilibrium. Assuming that these potentials give an average description of node dynamics, we calculate thermal and mechanical properties. If this method can be sufficiently generalized it may form the basis of a multiscale molecular dynamics method with time and spatial coarse graining.

Entities:  

Year:  2002        PMID: 12097096     DOI: 10.1103/PhysRevLett.88.255504

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Data-driven parameterization of the generalized Langevin equation.

Authors:  Huan Lei; Nathan A Baker; Xiantao Li
Journal:  Proc Natl Acad Sci U S A       Date:  2016-11-29       Impact factor: 11.205

2.  A multiscale molecular dynamics approach to contact mechanics.

Authors:  C Yang; U Tartaglino; B N J Persson
Journal:  Eur Phys J E Soft Matter       Date:  2006-01-17       Impact factor: 1.624

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.