{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/82890"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/82890","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"The Development of Empirical Potentials From First-Principles and Application to Al Alloys","abstract":"The segregation of Cu atoms at Al(110) $\\Sigma 111$ and (001) $\\Sigma$5 tilt grain-boundaries was studied. Cu atoms were found to segregate to asymmetric sites at the $\\Sigma$11 boundary and form zig-zag planar aggregates at the interface. Segregation is dominated by atomic size and local hydrostatic stress. Cu atoms prefer to occupy the prime diffusion path sites at both grain-boundaries. Cu segregation raises that vacancy formation and diffusion activation energies at $\\Sigma$11 grain boundaries.","abstract_html":"The segregation of Cu atoms at Al(110) $\\Sigma 111$ and (001) $\\Sigma$5 tilt grain-boundaries was studied. Cu atoms were found to segregate to asymmetric sites at the $\\Sigma$11 boundary and form zig-zag planar aggregates at the interface. Segregation is dominated by atomic size and local hydrostatic stress. Cu atoms prefer to occupy the prime diffusion path sites at both grain-boundaries. Cu segregation raises that vacancy formation and diffusion activation energies at $\\Sigma$11 grain boundaries.","abstract_has_math":true,"creators":["Liu, Xiang-Yang"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Materials Science and Engineering","degree_department":null,"school":null,"contributors":["Adams, James B."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-09-25T20:53:30Z","date_published":"2015-09-25T20:53:30Z","updated_at":"2026-07-22T22:26:20Z","subjects":["Engineering, Materials Science"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(MiAaPQ)AAI9812684"],"render_values":[{"text":"(MiAaPQ)AAI9812684","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/82890","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Adams, James B."]},{"key":"dc:creator","label":"Author","values":["Liu, Xiang-Yang"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-09-25T20:53:30Z","10000-01-01","1997"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Materials Science and Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Engineering, Materials Science"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/82890","(MiAaPQ)AAI9812684"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["The segregation of Cu atoms at Al(110) $\\Sigma 111$ and (001) $\\Sigma$5 tilt grain-boundaries was studied. Cu atoms were found to segregate to asymmetric sites at the $\\Sigma$11 boundary and form zig-zag planar aggregates at the interface. Segregation is dominated by atomic size and local hydrostatic stress. Cu atoms prefer to occupy the prime diffusion path sites at both grain-boundaries. Cu segregation raises that vacancy formation and diffusion activation energies at $\\Sigma$11 grain boundaries.","Made available in DSpace on 2015-09-25T20:53:30Z (GMT). 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Cu atoms were found to segregate to asymmetric sites at the $\\Sigma$11 boundary and form zig-zag planar aggregates at the interface. Segregation is dominated by atomic size and local hydrostatic stress. Cu atoms prefer to occupy the prime diffusion path sites at both grain-boundaries. Cu segregation raises that vacancy formation and diffusion activation energies at $\\Sigma$11 grain boundaries.","Made available in DSpace on 2015-09-25T20:53:30Z (GMT). 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