A three-dimensional polyhedral unit model for grain boundary structure in fcc metals

Polyhedral structures: Building blocks for metallic interfaces US researchers have designed a model to aid understanding of how crystals pack in metals such as aluminum and copper. Most metals form as polycrystalline microstructures, i.e., they are composed of small crystals of varying size and orie...

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Autores principales:	Arash Dehghan Banadaki, Srikanth Patala
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/5470fc33998f45ffb95d9e99f60143d1
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id	oai:doaj.org-article:5470fc33998f45ffb95d9e99f60143d1
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spelling	oai:doaj.org-article:5470fc33998f45ffb95d9e99f60143d12021-12-02T11:51:10ZA three-dimensional polyhedral unit model for grain boundary structure in fcc metals10.1038/s41524-017-0016-02057-3960https://doaj.org/article/5470fc33998f45ffb95d9e99f60143d12017-03-01T00:00:00Zhttps://doi.org/10.1038/s41524-017-0016-0https://doaj.org/toc/2057-3960Polyhedral structures: Building blocks for metallic interfaces US researchers have designed a model to aid understanding of how crystals pack in metals such as aluminum and copper. Most metals form as polycrystalline microstructures, i.e., they are composed of small crystals of varying size and orientation. The lack of structural order, along the interfaces where crystals of different orientations meet, makes it difficult to model their properties. Arash Banadaki and Srikanth Patala at North Carolina State University have taken the first step towards quantifying these relationships, by developing a three-dimensional model that classifies the geometrical nature of how atoms pack along these disordered regions in the microstructure. The model was tested on face-centered cubic crystals, but is also applicable to systems with different lattice structures. This is a key first step in the bottom-up design of structural materials with desired properties.Arash Dehghan BanadakiSrikanth PatalaNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 3, Iss 1, Pp 1-13 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Arash Dehghan Banadaki Srikanth Patala A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
description	Polyhedral structures: Building blocks for metallic interfaces US researchers have designed a model to aid understanding of how crystals pack in metals such as aluminum and copper. Most metals form as polycrystalline microstructures, i.e., they are composed of small crystals of varying size and orientation. The lack of structural order, along the interfaces where crystals of different orientations meet, makes it difficult to model their properties. Arash Banadaki and Srikanth Patala at North Carolina State University have taken the first step towards quantifying these relationships, by developing a three-dimensional model that classifies the geometrical nature of how atoms pack along these disordered regions in the microstructure. The model was tested on face-centered cubic crystals, but is also applicable to systems with different lattice structures. This is a key first step in the bottom-up design of structural materials with desired properties.
format	article
author	Arash Dehghan Banadaki Srikanth Patala
author_facet	Arash Dehghan Banadaki Srikanth Patala
author_sort	Arash Dehghan Banadaki
title	A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
title_short	A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
title_full	A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
title_fullStr	A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
title_full_unstemmed	A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
title_sort	three-dimensional polyhedral unit model for grain boundary structure in fcc metals
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/5470fc33998f45ffb95d9e99f60143d1
work_keys_str_mv	AT arashdehghanbanadaki athreedimensionalpolyhedralunitmodelforgrainboundarystructureinfccmetals AT srikanthpatala athreedimensionalpolyhedralunitmodelforgrainboundarystructureinfccmetals AT arashdehghanbanadaki threedimensionalpolyhedralunitmodelforgrainboundarystructureinfccmetals AT srikanthpatala threedimensionalpolyhedralunitmodelforgrainboundarystructureinfccmetals
_version_	1718395162518880256

A three-dimensional polyhedral unit model for grain boundary structure in fcc metals

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