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Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
journal contribution
posted on 2017-11-06, 17:03 authored by Heike Emmerich, Hartmut Lowen, Raphael Wittkowski, Thomas Gruhn, Gyula TothGyula Toth, Gyorgy Tegze, Laszlo GranasyHere 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 PhysicsVolume
61Issue
6Pages
665 - 743Citation
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 & FrancisVersion
- 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
2012Notes
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
0001-8732eISSN
1460-6976Publisher version
Language
- en