Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg

Structural materials: at the boundary between twins A group of atomic defects that are critical to the mechanical properties of common metals is investigated by researchers in Germany and the Czech Republic. Zongrui Pei from the Max-Planck-Institut für Eisenforschung and co-workers identify the type...

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Autores principales:	Zongrui Pei, Xie Zhang, Tilmann Hickel, Martin Friák, Stefanie Sandlöbes, Biswanath Dutta, Jörg Neugebauer
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/b30941a6aefc4eee8081b63d750bbe1d
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spelling	oai:doaj.org-article:b30941a6aefc4eee8081b63d750bbe1d2021-12-02T12:30:49ZAtomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg10.1038/s41524-017-0010-62057-3960https://doaj.org/article/b30941a6aefc4eee8081b63d750bbe1d2017-02-01T00:00:00Zhttps://doi.org/10.1038/s41524-017-0010-6https://doaj.org/toc/2057-3960Structural materials: at the boundary between twins A group of atomic defects that are critical to the mechanical properties of common metals is investigated by researchers in Germany and the Czech Republic. Zongrui Pei from the Max-Planck-Institut für Eisenforschung and co-workers identify the types of structural aberration that can exist in materials such as magnesium, zirconium and titanium. A twin boundary occurs where the regular atomic structure in one region becomes misaligned from that in the next. For one specific atomic arrangement, known as a hexagonal close-packed structure, the atomic structures of such defects are not very well understood. Pei et al. use ab-initio methods and large-scale atomistic simulations to show that two types of twin boundaries can occur in magnesium: glide twin boundaries and reflection twin boundaries. They show that mechanical instability makes the former difficult to see experimentally.Zongrui PeiXie ZhangTilmann HickelMartin FriákStefanie SandlöbesBiswanath DuttaJörg NeugebauerNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 3, Iss 1, Pp 1-7 (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 Zongrui Pei Xie Zhang Tilmann Hickel Martin Friák Stefanie Sandlöbes Biswanath Dutta Jörg Neugebauer Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
description	Structural materials: at the boundary between twins A group of atomic defects that are critical to the mechanical properties of common metals is investigated by researchers in Germany and the Czech Republic. Zongrui Pei from the Max-Planck-Institut für Eisenforschung and co-workers identify the types of structural aberration that can exist in materials such as magnesium, zirconium and titanium. A twin boundary occurs where the regular atomic structure in one region becomes misaligned from that in the next. For one specific atomic arrangement, known as a hexagonal close-packed structure, the atomic structures of such defects are not very well understood. Pei et al. use ab-initio methods and large-scale atomistic simulations to show that two types of twin boundaries can occur in magnesium: glide twin boundaries and reflection twin boundaries. They show that mechanical instability makes the former difficult to see experimentally.
format	article
author	Zongrui Pei Xie Zhang Tilmann Hickel Martin Friák Stefanie Sandlöbes Biswanath Dutta Jörg Neugebauer
author_facet	Zongrui Pei Xie Zhang Tilmann Hickel Martin Friák Stefanie Sandlöbes Biswanath Dutta Jörg Neugebauer
author_sort	Zongrui Pei
title	Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
title_short	Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
title_full	Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
title_fullStr	Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
title_full_unstemmed	Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
title_sort	atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on mg
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/b30941a6aefc4eee8081b63d750bbe1d
work_keys_str_mv	AT zongruipei atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg AT xiezhang atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg AT tilmannhickel atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg AT martinfriak atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg AT stefaniesandlobes atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg AT biswanathdutta atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg AT jorgneugebauer atomicstructuresoftwinboundariesinhexagonalclosepackedmetalliccrystalswithparticularfocusonmg
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Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg

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