Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6924469 | Computers & Structures | 2015 | 14 Pages |
Abstract
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.
Related Topics
Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
P. Vignal, L. Dalcin, D.L. Brown, N. Collier, V.M. Calo,