DC Field | Value | Language |
---|---|---|
dc.contributor.author | Shim, JH | - |
dc.contributor.author | Ko, WS | - |
dc.contributor.author | Suh, JY | - |
dc.contributor.author | Lee, YS | - |
dc.contributor.author | Lee, BJ | - |
dc.date.accessioned | 2021-12-03T23:04:41Z | - |
dc.date.available | 2021-12-03T23:04:41Z | - |
dc.date.created | 2014-01-15 | - |
dc.date.issued | 2013-11 | - |
dc.identifier.issn | 1598-9623 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/107997 | - |
dc.description.abstract | Molecular dynamics simulations of hydrogen diffusion at I 3 pound and I 5 pound tilt grain boundaries in bcc vanadium (V) have been performed based on modified embedded-atom method interatomic potentials. The calculated diffusivity at the grain boundaries is lower than the calculated bulk diffusivity in a temperature range between 473 and 1473 K, although the difference between the grain boundary and bulk diffusivities decreases with increasing temperature. Compared with that of the other directions, the mean square displacement of an interstitial hydrogen atom at the I 3 pound boundary is relatively small in the direction normal to the boundary, leading to two dimensional motion. Molecular statics simulations show that there is strong attraction between the hydrogen atom and these grain boundaries in V, which implies that the role of grain boundaries is to act as trap sites rather than to provide fast diffusion paths of hydrogen atoms in V. | - |
dc.language | English | - |
dc.publisher | KOREAN INST METALS MATERIALS | - |
dc.relation.isPartOf | METALS AND MATERIALS INTERNATIONAL | - |
dc.subject | metals | - |
dc.subject | hydrogen | - |
dc.subject | grain boundary | - |
dc.subject | diffusion | - |
dc.subject | computer simulation | - |
dc.subject | H SYSTEM | - |
dc.subject | NICKEL | - |
dc.subject | PERMEATION | - |
dc.subject | DEUTERIUM | - |
dc.subject | TANTALUM | - |
dc.subject | NIOBIUM | - |
dc.subject | SIGMA-5 | - |
dc.subject | ALLOYS | - |
dc.subject | HEAT | - |
dc.subject | PD | - |
dc.title | Atomistic simulation of hydrogen diffusion at tilt grain boundaries in vanadium | - |
dc.type | Article | - |
dc.identifier.doi | 10.1007/S12540-013-6012-0 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | METALS AND MATERIALS INTERNATIONAL, v.19, no.6, pp.1221 - 1225 | - |
dc.identifier.wosid | 000327080600009 | - |
dc.citation.endPage | 1225 | - |
dc.citation.number | 6 | - |
dc.citation.startPage | 1221 | - |
dc.citation.title | METALS AND MATERIALS INTERNATIONAL | - |
dc.citation.volume | 19 | - |
dc.contributor.affiliatedAuthor | Lee, BJ | - |
dc.identifier.scopusid | 2-s2.0-84888422140 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | H SYSTEM | - |
dc.subject.keywordPlus | NICKEL | - |
dc.subject.keywordPlus | PERMEATION | - |
dc.subject.keywordPlus | DEUTERIUM | - |
dc.subject.keywordPlus | TANTALUM | - |
dc.subject.keywordPlus | NIOBIUM | - |
dc.subject.keywordPlus | SIGMA-5 | - |
dc.subject.keywordPlus | ALLOYS | - |
dc.subject.keywordPlus | HEAT | - |
dc.subject.keywordPlus | PD | - |
dc.subject.keywordAuthor | metals | - |
dc.subject.keywordAuthor | hydrogen | - |
dc.subject.keywordAuthor | grain boundary | - |
dc.subject.keywordAuthor | diffusion | - |
dc.subject.keywordAuthor | computer simulation | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Metallurgy & Metallurgical Engineering | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Metallurgy & Metallurgical Engineering | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
library@postech.ac.kr Tel: 054-279-2548
Copyrights © by 2017 Pohang University of Science ad Technology All right reserved.