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Title:The Development of Empirical Potentials From First-Principles and Application to Al Alloys
Author(s):Liu, Xiang-Yang
Doctoral Committee Chair(s):Adams, James B.
Department / Program:Materials Science and Engineering
Discipline:Materials Science and Engineering
Degree Granting Institution:University of Illinois at Urbana-Champaign
Degree:Ph.D.
Genre:Dissertation
Subject(s):Engineering, Materials Science
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.
Issue Date:1997
Type:Text
Language:English
Description:141 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1997.
URI:http://hdl.handle.net/2142/82890
Other Identifier(s):(MiAaPQ)AAI9812684
Date Available in IDEALS:2015-09-25
Date Deposited:1997


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