PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals

The atomic structure of quasicrystals (QCs) is described as a section of a higher-dimensional structure that consists of a periodic arrangement of occupation domains (ODs). Determination of the shape of ODs and their partitioning is crucial in the structural analysis of QCs. However, owing to the co...

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Autor principal: Yamada, Tsunetomo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8366420/
https://www.ncbi.nlm.nih.gov/pubmed/34429725
http://dx.doi.org/10.1107/S1600576721005951
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author Yamada, Tsunetomo
author_facet Yamada, Tsunetomo
author_sort Yamada, Tsunetomo
collection PubMed
description The atomic structure of quasicrystals (QCs) is described as a section of a higher-dimensional structure that consists of a periodic arrangement of occupation domains (ODs). Determination of the shape of ODs and their partitioning is crucial in the structural analysis of QCs. However, owing to the complicated shape of ODs, building the initial structure model requires a great deal of time and effort. Thus, a computer program for building structure models of QCs is needed. Presented here is a Python3 package for structure modelling of icosahedral QCs.
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spelling pubmed-83664202021-08-23 PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals Yamada, Tsunetomo J Appl Crystallogr Computer Programs The atomic structure of quasicrystals (QCs) is described as a section of a higher-dimensional structure that consists of a periodic arrangement of occupation domains (ODs). Determination of the shape of ODs and their partitioning is crucial in the structural analysis of QCs. However, owing to the complicated shape of ODs, building the initial structure model requires a great deal of time and effort. Thus, a computer program for building structure models of QCs is needed. Presented here is a Python3 package for structure modelling of icosahedral QCs. International Union of Crystallography 2021-07-16 /pmc/articles/PMC8366420/ /pubmed/34429725 http://dx.doi.org/10.1107/S1600576721005951 Text en © Tsunetomo Yamada 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Computer Programs
Yamada, Tsunetomo
PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
title PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
title_full PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
title_fullStr PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
title_full_unstemmed PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
title_short PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
title_sort pyqcstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8366420/
https://www.ncbi.nlm.nih.gov/pubmed/34429725
http://dx.doi.org/10.1107/S1600576721005951
work_keys_str_mv AT yamadatsunetomo pyqcstrcicoacomputingpackageforstructuralmodellingoficosahedralquasicrystals

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