Interfacial segregation in Ag-Au, Au-Pd, and Cu-Ni alloys: I. (100) surfaces
dc.contributor.author | Wang, H. Y. | en_US |
dc.contributor.author | Najafabadi, Reza | en_US |
dc.contributor.author | Srolovitz, David J. | en_US |
dc.contributor.author | LeSar, R. | en_US |
dc.date.accessioned | 2006-09-11T17:14:49Z | |
dc.date.available | 2006-09-11T17:14:49Z | |
dc.date.issued | 1993-03 | en_US |
dc.identifier.citation | Wang, H. Y.; Najafabadi, R.; Srolovitz, D. J.; Lesar, R.; (1993). "Interfacial segregation in Ag-Au, Au-Pd, and Cu-Ni alloys: I. (100) surfaces." Interface Science 1(1): 7-30. <http://hdl.handle.net/2027.42/45990> | en_US |
dc.identifier.issn | 0927-7056 | en_US |
dc.identifier.issn | 1573-2746 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/45990 | |
dc.description.abstract | Atomistic simulations of segregation to (100) free surface in Ag−Au, Au−Pd, and Cu−Ni alloy systems have been performed for a wide range of temperatures and compositions within the solid solution region of these alloy phase diagrams. In addition to the surface segregation profiles, surface free energies, enthalpies, and entropies were determined. These simulations were performed within the framework of the free energy simulation method, in which an approximate free energy functional is minimized with respect to atomic coordinates and atomic site occupation. The effects of the relaxation with respect to either the atomic positions or the atomic concentrations are discussed. For all alloy bulk compositions (0.05 ≤ C ≤ 0.95) and temperatures (400 ≤ T (K) ≤ 1,100) examined, Ag, Au, and Cu segregates to the surface in the Ag−Au, Au−Pd, and Cu−Ni alloy systems, respectively. The present results are compared with several theories for segregation. The resultant segregation profiles in Au−Pd and Ag−Au alloys are shown to be in good agreement with an empirical segregation theory, while in Cu−Ni alloys the disagreement in Ni-rich alloys is substantial. The width of the segregation profile is limited to approximately three to four atomic planes. The surface thermodynamic properties depend sensitively on the magnitude of the surface segregation, and some of them are shown to vary linearly with the magnitude of the surface segregation. | en_US |
dc.format.extent | 1494910 bytes | |
dc.format.extent | 3115 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.language.iso | en_US | |
dc.publisher | Kluwer Academic Publishers; Springer Science+Business Media | en_US |
dc.subject.other | Engineering | en_US |
dc.subject.other | Materials Processing, Characterization, and Design | en_US |
dc.subject.other | Surfaces | en_US |
dc.subject.other | Computer Simulation | en_US |
dc.subject.other | Free Energy | en_US |
dc.subject.other | Segregation | en_US |
dc.title | Interfacial segregation in Ag-Au, Au-Pd, and Cu-Ni alloys: I. (100) surfaces | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbsecondlevel | Biological Chemistry | en_US |
dc.subject.hlbsecondlevel | Chemical Engineering | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.subject.hlbtoplevel | Health Sciences | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Materials Science and Engineering, University of Michigan, 48109, Ann Arbor, MI, USA | en_US |
dc.contributor.affiliationum | Department of Materials Science and Engineering, University of Michigan, 48109, Ann Arbor, MI, USA | en_US |
dc.contributor.affiliationum | Department of Materials Science and Engineering, University of Michigan, 48109, Ann Arbor, MI, USA | en_US |
dc.contributor.affiliationother | Theoretical Division, Los Alamos National Laboratory, 87545, Los Alamos, NM, USA | en_US |
dc.contributor.affiliationumcampus | Ann Arbor | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/45990/1/10793_2004_Article_BF00203263.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1007/BF00203263 | en_US |
dc.identifier.source | Interface Science | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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