Phase-field-crystal models and mechanical equilibrium

V. Heinonen, C. V. Achim, K. R. Elder, S. Buyukdagli, and T. Ala-Nissila
Phys. Rev. E 89, 032411 – Published 31 March 2014

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.

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  • Received 19 November 2013

DOI:https://doi.org/10.1103/PhysRevE.89.032411

©2014 American Physical Society

Authors & Affiliations

V. Heinonen1,*, C. V. Achim2, K. R. Elder3, S. Buyukdagli1, and T. Ala-Nissila1,4

  • 1COMP Centre of Excellence at the Department of Applied Physics, Aalto University, School of Science, P. O. Box 11100, FI-00076 Aalto, Finland
  • 2Institut für Theoretische Physik II: Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, Germany
  • 3Department of Physics, Oakland University, Rochester, Michigan 48309, USA
  • 4Department of Physics, Brown University, Providence, Rhode Island 02912-1843, USA

  • *vili.heinonen@aalto.fi

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Vol. 89, Iss. 3 — March 2014

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