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Dynamics of an inhomogeneously coarse grained multiscale system.

Publication ,  Journal Article
Curtarolo, S; Ceder, G
Published in: Physical review letters
June 2002

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.

Duke Scholars

Published In

Physical review letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

June 2002

Volume

88

Issue

25 Pt 1

Start / End Page

255504

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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ICMJE
MLA
NLM
Curtarolo, S., & Ceder, G. (2002). Dynamics of an inhomogeneously coarse grained multiscale system. Physical Review Letters, 88(25 Pt 1), 255504. https://doi.org/10.1103/physrevlett.88.255504
Curtarolo, Stefano, and Gerbrand Ceder. “Dynamics of an inhomogeneously coarse grained multiscale system.Physical Review Letters 88, no. 25 Pt 1 (June 2002): 255504. https://doi.org/10.1103/physrevlett.88.255504.
Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system. Physical review letters. 2002 Jun;88(25 Pt 1):255504.
Curtarolo, Stefano, and Gerbrand Ceder. “Dynamics of an inhomogeneously coarse grained multiscale system.Physical Review Letters, vol. 88, no. 25 Pt 1, June 2002, p. 255504. Epmc, doi:10.1103/physrevlett.88.255504.
Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system. Physical review letters. 2002 Jun;88(25 Pt 1):255504.

Published In

Physical review letters

DOI

EISSN

1079-7114

ISSN

0031-9007

Publication Date

June 2002

Volume

88

Issue

25 Pt 1

Start / End Page

255504

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences