Molecular Dynamics on Diffusive Time Scales from the Phase Field Crystal Equation

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dc.creatorChan, Pak Yuen
dc.creatorGoldenfeld, Nigel
dc.creatorDantzig, Jon
dc.date2009-02-08
dc.date.accessioned2026-07-07T12:39:23Z
dc.date.available2026-07-07T12:39:23Z
dc.descriptionWe 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 liquid.
dc.identifierhttps://arxiv.org/abs/0902.1343
dc.identifierhttp://arxiv.org/abs/0902.1343
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/219095
dc.subjectComputational Physics
dc.subjectMaterials Science
dc.titleMolecular Dynamics on Diffusive Time Scales from the Phase Field Crystal Equation
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