An energy-stable convex splitting for the phase-field crystal equation

The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conse...

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Bibliographic Details
Main Authors: Vignal, P., Dalcin, L., Brown, D., Collier, N., Calo, Victor
Format: Journal Article
Published: Elsevier Limited 2015
Online Access:http://hdl.handle.net/20.500.11937/51476
Description
Summary:The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method.