Improving atomic displacement and replacement calculations with physically realistic damage models

The Norgett−Robinson−Torrens displacements per atom model is the benchmark to assess radiation damage in metals but has well-known limitations. Here, the authors use molecular dynamics to introduce material-specific modifications to describe radiation damage more realistically.

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Detalles Bibliográficos
Autores principales:	Kai Nordlund, Steven J. Zinkle, Andrea E. Sand, Fredric Granberg, Robert S. Averback, Roger Stoller, Tomoaki Suzudo, Lorenzo Malerba, Florian Banhart, William J. Weber, Francois Willaime, Sergei L. Dudarev, David Simeone
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/7de9c7ace66e429e9bbb71532b09ea28
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spelling	oai:doaj.org-article:7de9c7ace66e429e9bbb71532b09ea282021-12-02T14:40:09ZImproving atomic displacement and replacement calculations with physically realistic damage models10.1038/s41467-018-03415-52041-1723https://doaj.org/article/7de9c7ace66e429e9bbb71532b09ea282018-03-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-03415-5https://doaj.org/toc/2041-1723The Norgett−Robinson−Torrens displacements per atom model is the benchmark to assess radiation damage in metals but has well-known limitations. Here, the authors use molecular dynamics to introduce material-specific modifications to describe radiation damage more realistically.Kai NordlundSteven J. ZinkleAndrea E. SandFredric GranbergRobert S. AverbackRoger StollerTomoaki SuzudoLorenzo MalerbaFlorian BanhartWilliam J. WeberFrancois WillaimeSergei L. DudarevDavid SimeoneNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Kai Nordlund Steven J. Zinkle Andrea E. Sand Fredric Granberg Robert S. Averback Roger Stoller Tomoaki Suzudo Lorenzo Malerba Florian Banhart William J. Weber Francois Willaime Sergei L. Dudarev David Simeone Improving atomic displacement and replacement calculations with physically realistic damage models
description	The Norgett−Robinson−Torrens displacements per atom model is the benchmark to assess radiation damage in metals but has well-known limitations. Here, the authors use molecular dynamics to introduce material-specific modifications to describe radiation damage more realistically.
format	article
author	Kai Nordlund Steven J. Zinkle Andrea E. Sand Fredric Granberg Robert S. Averback Roger Stoller Tomoaki Suzudo Lorenzo Malerba Florian Banhart William J. Weber Francois Willaime Sergei L. Dudarev David Simeone
author_facet	Kai Nordlund Steven J. Zinkle Andrea E. Sand Fredric Granberg Robert S. Averback Roger Stoller Tomoaki Suzudo Lorenzo Malerba Florian Banhart William J. Weber Francois Willaime Sergei L. Dudarev David Simeone
author_sort	Kai Nordlund
title	Improving atomic displacement and replacement calculations with physically realistic damage models
title_short	Improving atomic displacement and replacement calculations with physically realistic damage models
title_full	Improving atomic displacement and replacement calculations with physically realistic damage models
title_fullStr	Improving atomic displacement and replacement calculations with physically realistic damage models
title_full_unstemmed	Improving atomic displacement and replacement calculations with physically realistic damage models
title_sort	improving atomic displacement and replacement calculations with physically realistic damage models
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/7de9c7ace66e429e9bbb71532b09ea28
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Improving atomic displacement and replacement calculations with physically realistic damage models

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