Phase-field-crystal models and mechanical equilibrium

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© 2014 American Physical Society. http://www.aps.org
Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2014
Major/Subject
Mcode
Degree programme
Language
en
Pages
032411/1-11
Series
Physical Review E, Volume 89
Abstract
Phase-field-crystal (PFC) models constitute a field theoretical approach to solidification, melting, and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain elastic excitations associated with strain in crystalline bodies. However, instabilities that are diffusively driven towards equilibrium are often orders of magnitude slower than the dynamics of the elastic excitations, and are thus not included in the standard PFC model dynamics. We derive a method to isolate the time evolution of the elastic excitations from the diffusive dynamics in the PFC approach and set up a two-stage process, in which elastic excitations are equilibrated separately. This ensures mechanical equilibrium at all times. We show concrete examples demonstrating the necessity of the separation of the elastic and diffusive time scales. In the small-deformation limit this approach is shown to agree with the theory of linear elasticity.
Description
Keywords
phase-field crystal model, mechanical equilibrium, grain growth
Other note
Citation
Heinonen, V. & Achim, C. V. & Elder, K. R. & Buyuddagli, S. & Ala-Nissilä, Tapio. 2014. Phase-field-crystal models and mechanical equilibrium. Physical Review E. Volume 89. P. 032411/1-11. ISSN 1094-1622 (electronic). ISSN 1539-3755 (printed). DOI: 10.1103/PhysRevE.89.032411.