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Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Emmerich, Heike and Löwen, Hartmut and Wittkowski, Raphael and Gruhn, Thomas and Tóth, Gyula I. and Tegze, György and Gránásy, László (2012) Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview. Advances in Physics, 61 (6). pp. 665-743. ISSN ISSN 0001-8732 print/ISSN 1460-6976 online

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Abstract

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundamentals for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today’s state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.

Item Type: Article
Subjects: Q Science / természettudomány > QC Physics / fizika > QC06 Physics of condensed matter / szilárdtestfizika
Depositing User: Prof László Gránásy
Date Deposited: 17 Aug 2017 14:04
Last Modified: 17 Aug 2017 14:04
URI: http://real.mtak.hu/id/eprint/60091

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