Coarse-graining the dynamics of a driven interface in the presence of mobile impurities: Effective description via diffusion maps

Benjamin E. Sonday, Mikko Haataja, Ioannis G. Kevrekidis

Research output: Contribution to journalArticle

27 Scopus citations

Abstract

Developing effective descriptions of the microscopic dynamics of many physical phenomena can both dramatically enhance their computational exploration and lead to a more fundamental understanding of the underlying physics. Previously, an effective description of a driven interface in the presence of mobile impurities, based on an Ising variant model and a single empirical coarse variable, was partially successful; yet it underlined the necessity of selecting additional coarse variables in certain parameter regimes. In this paper we use a data mining approach to help identify the coarse variables required. We discuss the implementation of this diffusion map approach, the selection of a similarity measure between system snapshots required in the approach, and the correspondence between empirically selected and automatically detected coarse variables. We conclude by illustrating the use of the diffusion map variables in assisting the atomistic simulations and we discuss the translation of information between fine and coarse descriptions using lifting and restriction operators.

Original languageEnglish (US)
Article number031102
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume80
Issue number3
DOIs
StatePublished - Sep 3 2009

All Science Journal Classification (ASJC) codes

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Coarse-graining the dynamics of a driven interface in the presence of mobile impurities: Effective description via diffusion maps'. Together they form a unique fingerprint.

  • Cite this