Carbon in copper and silver: diffusion and mechanical properties

Detalhes bibliográficos
Autor(a) principal: Fuks, D.
Data de Publicação: 2001
Outros Autores: Mundim, Kleber Carlos, Malbouisson, L. A. C., Berner, A., Dorfman, Simon, Ellis, D. E.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/7750
Resumo: Texto completo: acesso restrito. p. 199–214
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spelling Fuks, D.Mundim, Kleber CarlosMalbouisson, L. A. C.Berner, A.Dorfman, SimonEllis, D. E.Fuks, D.Mundim, Kleber CarlosMalbouisson, L. A. C.Berner, A.Dorfman, SimonEllis, D. E.2013-01-04T13:31:57Z20010166-1280http://www.repositorio.ufba.br/ri/handle/ri/7750v. 539, n. 1-3Texto completo: acesso restrito. p. 199–214The effects of interstitial carbon on the diffusion and mechanical properties of copper and silver are studied theoretically. Semiempirical methodology, atomistic simulations, and first-principles density functional schemes are combined to extract some understanding of the diffusion process and lattice reconstruction in extremely dilute interstitial Cu–C and Ag–C alloys. It is demonstrated that carbon inclusion in the host matrix leads to sufficient non-uniform dilatation of the lattice. We also show that an account of static displacements is important in the calculations of the activation energy for the diffusion of the interstitial atoms. The “embedded” cluster scheme is suggested to simulate the relaxation in extremely dilute alloys. High-resolution scanning electron microscopy results are presented, which demonstrate the existence of a solid solution zone at the Cu–C interface.Submitted by Suelen Reis (suelen_suzane@hotmail.com) on 2013-01-04T13:31:57Z No. of bitstreams: 1 Fuks.pdf: 3224844 bytes, checksum: 1d681b24ee81f223c263d529eea7d00b (MD5)Made available in DSpace on 2013-01-04T13:31:57Z (GMT). No. of bitstreams: 1 Fuks.pdf: 3224844 bytes, checksum: 1d681b24ee81f223c263d529eea7d00b (MD5) Previous issue date: 2001http://dx.doi.org/10.1016/S0166-1280(00)00789-2reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBACopperSilverCarbonSolid solutionsDiffusionAtomistic simulationsCarbon in copper and silver: diffusion and mechanical propertiesJournal of Molecular Structure: THEOCHEMinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01enginfo:eu-repo/semantics/openAccessORIGINALFuks.pdfFuks.pdfapplication/pdf3224844https://repositorio.ufba.br/bitstream/ri/7750/1/Fuks.pdf1d681b24ee81f223c263d529eea7d00bMD51LICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/7750/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52TEXTFuks.pdf.txtFuks.pdf.txtExtracted texttext/plain0https://repositorio.ufba.br/bitstream/ri/7750/3/Fuks.pdf.txtd41d8cd98f00b204e9800998ecf8427eMD53ri/77502022-07-05 14:03:11.432oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:11Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Carbon in copper and silver: diffusion and mechanical properties
dc.title.alternative.pt_BR.fl_str_mv Journal of Molecular Structure: THEOCHEM
title Carbon in copper and silver: diffusion and mechanical properties
spellingShingle Carbon in copper and silver: diffusion and mechanical properties
Fuks, D.
Copper
Silver
Carbon
Solid solutions
Diffusion
Atomistic simulations
title_short Carbon in copper and silver: diffusion and mechanical properties
title_full Carbon in copper and silver: diffusion and mechanical properties
title_fullStr Carbon in copper and silver: diffusion and mechanical properties
title_full_unstemmed Carbon in copper and silver: diffusion and mechanical properties
title_sort Carbon in copper and silver: diffusion and mechanical properties
author Fuks, D.
author_facet Fuks, D.
Mundim, Kleber Carlos
Malbouisson, L. A. C.
Berner, A.
Dorfman, Simon
Ellis, D. E.
author_role author
author2 Mundim, Kleber Carlos
Malbouisson, L. A. C.
Berner, A.
Dorfman, Simon
Ellis, D. E.
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Fuks, D.
Mundim, Kleber Carlos
Malbouisson, L. A. C.
Berner, A.
Dorfman, Simon
Ellis, D. E.
Fuks, D.
Mundim, Kleber Carlos
Malbouisson, L. A. C.
Berner, A.
Dorfman, Simon
Ellis, D. E.
dc.subject.por.fl_str_mv Copper
Silver
Carbon
Solid solutions
Diffusion
Atomistic simulations
topic Copper
Silver
Carbon
Solid solutions
Diffusion
Atomistic simulations
description Texto completo: acesso restrito. p. 199–214
publishDate 2001
dc.date.issued.fl_str_mv 2001
dc.date.accessioned.fl_str_mv 2013-01-04T13:31:57Z
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/7750
dc.identifier.issn.none.fl_str_mv 0166-1280
dc.identifier.number.pt_BR.fl_str_mv v. 539, n. 1-3
identifier_str_mv 0166-1280
v. 539, n. 1-3
url http://www.repositorio.ufba.br/ri/handle/ri/7750
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/S0166-1280(00)00789-2
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
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reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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