Hydrogen embrittlement of grain boundaries in nickel: an atomistic study

Metals: hydrogen probe divides nickel into grains Identifying all hydrogen absorption sites at metallic grain boundaries allows for a quantitative prediction of metal failure. An international team of researchers led by Ting Zhu at Georgia Institute of Technology developed a method to geometrically...

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Autores principales:	Shan Huang, Dengke Chen, Jun Song, David L. McDowell, Ting Zhu
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/2df320b9f819461e9361ebc65ad35b11
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spelling	oai:doaj.org-article:2df320b9f819461e9361ebc65ad35b112021-12-02T11:51:10ZHydrogen embrittlement of grain boundaries in nickel: an atomistic study10.1038/s41524-017-0031-12057-3960https://doaj.org/article/2df320b9f819461e9361ebc65ad35b112017-07-01T00:00:00Zhttps://doi.org/10.1038/s41524-017-0031-1https://doaj.org/toc/2057-3960Metals: hydrogen probe divides nickel into grains Identifying all hydrogen absorption sites at metallic grain boundaries allows for a quantitative prediction of metal failure. An international team of researchers led by Ting Zhu at Georgia Institute of Technology developed a method to geometrically divide nickel metal into polyhedral packing units of atoms by embedding hydrogen atoms into the nickel atomic lattice. By using atomistic simulations to examine the boundaries through these atomic packing units, they showed that hydrogen binds to nickel via an electronic effect and that grain boundary failure due to hydrogen worsens at higher temperatures. Reducing grain boundary strength therefore depended on the location of hydrogen embedded in nickel as well as hydrogen concentration at the grain boundaries. Establishing a framework to quantify metal failure due to hydrogen absorption may help up mitigate failure in hydrogen-containing pressurized vessels and pipelines.Shan HuangDengke ChenJun SongDavid L. McDowellTing ZhuNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 3, Iss 1, Pp 1-8 (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 Shan Huang Dengke Chen Jun Song David L. McDowell Ting Zhu Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
description	Metals: hydrogen probe divides nickel into grains Identifying all hydrogen absorption sites at metallic grain boundaries allows for a quantitative prediction of metal failure. An international team of researchers led by Ting Zhu at Georgia Institute of Technology developed a method to geometrically divide nickel metal into polyhedral packing units of atoms by embedding hydrogen atoms into the nickel atomic lattice. By using atomistic simulations to examine the boundaries through these atomic packing units, they showed that hydrogen binds to nickel via an electronic effect and that grain boundary failure due to hydrogen worsens at higher temperatures. Reducing grain boundary strength therefore depended on the location of hydrogen embedded in nickel as well as hydrogen concentration at the grain boundaries. Establishing a framework to quantify metal failure due to hydrogen absorption may help up mitigate failure in hydrogen-containing pressurized vessels and pipelines.
format	article
author	Shan Huang Dengke Chen Jun Song David L. McDowell Ting Zhu
author_facet	Shan Huang Dengke Chen Jun Song David L. McDowell Ting Zhu
author_sort	Shan Huang
title	Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
title_short	Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
title_full	Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
title_fullStr	Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
title_full_unstemmed	Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
title_sort	hydrogen embrittlement of grain boundaries in nickel: an atomistic study
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/2df320b9f819461e9361ebc65ad35b11
work_keys_str_mv	AT shanhuang hydrogenembrittlementofgrainboundariesinnickelanatomisticstudy AT dengkechen hydrogenembrittlementofgrainboundariesinnickelanatomisticstudy AT junsong hydrogenembrittlementofgrainboundariesinnickelanatomisticstudy AT davidlmcdowell hydrogenembrittlementofgrainboundariesinnickelanatomisticstudy AT tingzhu hydrogenembrittlementofgrainboundariesinnickelanatomisticstudy
_version_	1718395154679726080

Hydrogen embrittlement of grain boundaries in nickel: an atomistic study

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