Fourier-spectral-method implementation of deformation in the phase-field crystal model

The phase-field crystal (PFC) method is a promising computational model with atomistic resolution and diffusive time scale. In this work, the Fourier-spectral-method (FSM) scheme was developed for evaluating the PFC free energy of a system subjected homogeneous deformation. This scheme addresses the...

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Main Author: Pisutha-Arnond Nirand
Format: Article
Language:English
Published: EDP Sciences 2018-01-01
Series:MATEC Web of Conferences
Online Access:https://www.matec-conferences.org/articles/matecconf/pdf/2018/51/matecconf_iceast2018_01028.pdf
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spelling doaj-02c801570b244b6cb3f5bbd14b87ff1b2021-04-02T15:07:35ZengEDP SciencesMATEC Web of Conferences2261-236X2018-01-011920102810.1051/matecconf/201819201028matecconf_iceast2018_01028Fourier-spectral-method implementation of deformation in the phase-field crystal modelPisutha-Arnond Nirand0Department of Industrial Engineering, Faculty of Engineering, King Mongkut’s Institute of Technology LadkrabangThe phase-field crystal (PFC) method is a promising computational model with atomistic resolution and diffusive time scale. In this work, the Fourier-spectral-method (FSM) scheme was developed for evaluating the PFC free energy of a system subjected homogeneous deformation. This scheme addresses the complication where, in numerical implementation of FSM using discrete Fourier transform (DFT), the discretized data may no longer lie along the directions of the Cartesian basis due to deformation. In this scheme, the real-space coordinate transformation is employed so that the (continuous) Fourier transform is performed on the function of the undeformed coordinates. This transformation allows straightforward DFT implementation because the sampling at the undeformed configuration is unaffected by the deformation. This scheme is also shown to be applicable to both the original PFC model and a “CDFT”-type PFC model containing a two-body correlation function.https://www.matec-conferences.org/articles/matecconf/pdf/2018/51/matecconf_iceast2018_01028.pdf
collection DOAJ
language English
format Article
sources DOAJ
author Pisutha-Arnond Nirand
spellingShingle Pisutha-Arnond Nirand
Fourier-spectral-method implementation of deformation in the phase-field crystal model
MATEC Web of Conferences
author_facet Pisutha-Arnond Nirand
author_sort Pisutha-Arnond Nirand
title Fourier-spectral-method implementation of deformation in the phase-field crystal model
title_short Fourier-spectral-method implementation of deformation in the phase-field crystal model
title_full Fourier-spectral-method implementation of deformation in the phase-field crystal model
title_fullStr Fourier-spectral-method implementation of deformation in the phase-field crystal model
title_full_unstemmed Fourier-spectral-method implementation of deformation in the phase-field crystal model
title_sort fourier-spectral-method implementation of deformation in the phase-field crystal model
publisher EDP Sciences
series MATEC Web of Conferences
issn 2261-236X
publishDate 2018-01-01
description The phase-field crystal (PFC) method is a promising computational model with atomistic resolution and diffusive time scale. In this work, the Fourier-spectral-method (FSM) scheme was developed for evaluating the PFC free energy of a system subjected homogeneous deformation. This scheme addresses the complication where, in numerical implementation of FSM using discrete Fourier transform (DFT), the discretized data may no longer lie along the directions of the Cartesian basis due to deformation. In this scheme, the real-space coordinate transformation is employed so that the (continuous) Fourier transform is performed on the function of the undeformed coordinates. This transformation allows straightforward DFT implementation because the sampling at the undeformed configuration is unaffected by the deformation. This scheme is also shown to be applicable to both the original PFC model and a “CDFT”-type PFC model containing a two-body correlation function.
url https://www.matec-conferences.org/articles/matecconf/pdf/2018/51/matecconf_iceast2018_01028.pdf
work_keys_str_mv AT pisuthaarnondnirand fourierspectralmethodimplementationofdeformationinthephasefieldcrystalmodel
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