Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials

Detalhes bibliográficos
Autor(a) principal: Mundim, Kleber Carlos
Data de Publicação: 2001
Outros Autores: Liubich, Vlad, Dorfman, Simon, Felsteiner, Joshua, Fuks, David, Borstel, Gunnar
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/7802
Resumo: Texto completo: acesso restrito. p. 301–304
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spelling Mundim, Kleber CarlosLiubich, VladDorfman, SimonFelsteiner, JoshuaFuks, DavidBorstel, GunnarMundim, Kleber CarlosLiubich, VladDorfman, SimonFelsteiner, JoshuaFuks, DavidBorstel, Gunnar2013-01-11T10:58:37Z20010038-1098http://www.repositorio.ufba.br/ri/handle/ri/7802v. 118, n. 6Texto completo: acesso restrito. p. 301–304We study lattice reconstruction of tungsten near the Σ3(111) grain boundary (GB) and calculate relaxations of atoms in the vicinity of the Σ3GB in tungsten with and without boron interstitials. Monte Carlo (MC) atomistic simulations have been used to obtain the relaxed configuration of the lattice in the vicinity of the GB. The interacting potentials used in these simulations were obtained by a recursion procedure from nonempirical calculations. We show that boron atoms influence significantly the structure of the lattice in near the tungsten Σ3(111) GB. The displacements of the atoms are determined mainly by W–B and W–W interactions.Submitted by Suelen Reis (suelen_suzane@hotmail.com) on 2013-01-11T10:58:37Z No. of bitstreams: 1 Mundim.pdf: 105150 bytes, checksum: 6c00257d227b9d3cf06ad0d6bbf7b341 (MD5)Made available in DSpace on 2013-01-11T10:58:37Z (GMT). No. of bitstreams: 1 Mundim.pdf: 105150 bytes, checksum: 6c00257d227b9d3cf06ad0d6bbf7b341 (MD5) Previous issue date: 2001http://dx.doi.org/10.1016/S0038-1098(01)00076-Xreponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAC. Grain boundariesD. ElasticityRelaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitialsSolid State Communicationsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01enginfo:eu-repo/semantics/openAccessORIGINALMundim.pdfMundim.pdfapplication/pdf105150https://repositorio.ufba.br/bitstream/ri/7802/1/Mundim.pdf6c00257d227b9d3cf06ad0d6bbf7b341MD51LICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/7802/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52TEXTMundim.pdf.txtMundim.pdf.txtExtracted texttext/plain17445https://repositorio.ufba.br/bitstream/ri/7802/3/Mundim.pdf.txta391556522fbb3c228ea3f8dd27c56f5MD53ri/78022022-07-05 14:03:46.306oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:46Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
dc.title.alternative.pt_BR.fl_str_mv Solid State Communications
title Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
spellingShingle Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
Mundim, Kleber Carlos
C. Grain boundaries
D. Elasticity
title_short Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
title_full Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
title_fullStr Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
title_full_unstemmed Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
title_sort Relaxation of atoms in the tungsten Σ3(111) grain boundary with and without boron interstitials
author Mundim, Kleber Carlos
author_facet Mundim, Kleber Carlos
Liubich, Vlad
Dorfman, Simon
Felsteiner, Joshua
Fuks, David
Borstel, Gunnar
author_role author
author2 Liubich, Vlad
Dorfman, Simon
Felsteiner, Joshua
Fuks, David
Borstel, Gunnar
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Mundim, Kleber Carlos
Liubich, Vlad
Dorfman, Simon
Felsteiner, Joshua
Fuks, David
Borstel, Gunnar
Mundim, Kleber Carlos
Liubich, Vlad
Dorfman, Simon
Felsteiner, Joshua
Fuks, David
Borstel, Gunnar
dc.subject.por.fl_str_mv C. Grain boundaries
D. Elasticity
topic C. Grain boundaries
D. Elasticity
description Texto completo: acesso restrito. p. 301–304
publishDate 2001
dc.date.issued.fl_str_mv 2001
dc.date.accessioned.fl_str_mv 2013-01-11T10:58:37Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/7802
dc.identifier.issn.none.fl_str_mv 0038-1098
dc.identifier.number.pt_BR.fl_str_mv v. 118, n. 6
identifier_str_mv 0038-1098
v. 118, n. 6
url http://www.repositorio.ufba.br/ri/handle/ri/7802
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.pt_BR.fl_str_mv http://dx.doi.org/10.1016/S0038-1098(01)00076-X
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
instname:Universidade Federal da Bahia (UFBA)
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instname_str Universidade Federal da Bahia (UFBA)
instacron_str UFBA
institution UFBA
reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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