Phase-field-crystal models and mechanical equilibrium

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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2014

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Department of Applied Physics

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en

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Physical Review E, Volume 89, issue 3, pp. 1-11

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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Keywords

grain growth, mechanical equilibrium, phase-field crystal model

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DOI

10.1103/PhysRevE.89.032411

Citation

Heinonen, V, Achim, C V, Elder, K, Buyuddagli, S & Ala-Nissila, T 2014, 'Phase-field-crystal models and mechanical equilibrium', Physical Review E, vol. 89, no. 3, 032411, pp. 1-11. https://doi.org/10.1103/PhysRevE.89.032411

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https://urn.fi/URN:NBN:fi:aalto-202510087586

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[article-cris] Perustieteiden korkeakoulu / SCI