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Title: Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
Authors: Emmerich, Heike
Lowen, Hartmut
Wittkowski, Raphael
Gruhn, Thomas
Toth, Gyula I.
Tegze, Gyorgy
Granasy, Laszlo
Issue Date: 2012
Publisher: © Taylor & Francis
Citation: EMMERICH, H. ... et al., 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.
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.
Description: This is an Accepted Manuscript of an article published by Taylor & Francis in 'Advances in Physics' on 13/11/2012, available online: https://doi.org/10.1080/00018732.2012.737555.
Sponsor: This work has been supported by the EU FP7 Projects “ENSEMBLE” (contract no. NMP4-SL- 2008-213669) and “EXOMET” (contract no. NMP-LA-2012-280421, co-funded by ESA), by the ESA MAP/PECS project “MAGNEPHAS III”, and by the German Research Foundation (DFG) in the context of the DFG Priority Program 1296.
Version: Accepted for publication
DOI: 10.1080/00018732.2012.737555
URI: https://dspace.lboro.ac.uk/2134/27306
Publisher Link: https://doi.org/10.1080/00018732.2012.737555
ISSN: 0001-8732
Appears in Collections:Published Articles (Maths)

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