Molecular dynamics on diffusive time scales from the phase-field-crystal equation

Pak Yuen Chan, Nigel Goldenfeld, Jon Dantzig

Research output: Contribution to journalArticlepeer-review


We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

Original languageEnglish (US)
Article number035701
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Issue number3
StatePublished - Mar 3 2009

ASJC Scopus subject areas

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


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