1207.0257.pdf (7.56 MB)
0/0

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

Download (7.56 MB)
journal contribution
posted on 06.11.2017 by Heike Emmerich, Hartmut Lowen, Raphael Wittkowski, Thomas Gruhn, Gyula Toth, Gyorgy Tegze, Laszlo Granasy
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.

Funding

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.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Advances in Physics

Volume

61

Issue

6

Pages

665 - 743

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.

Publisher

© Taylor & Francis

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2012

Notes

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.

ISSN

0001-8732

eISSN

1460-6976

Language

en

Exports

Logo branding

Keyword(s)

Exports