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University of Illinois at Urbana-Champaign
First -Principles Prediction of Thermodynamics and Ordering in Metallic Alloys
Abstract
dc:descriptionAfter that we construct a grand-canonical cluster expansion for the hcp Al-Ag and perform ground-state search and Monte Carlo simulations to determine the metastable hcp Ag-Al phase diagram. We predict a new equilibrium hcp AgAl ground state with zero-energy domain boundary defects. From thermodynamic results, we discuss the precipitate structure and composition in Al-rich Al-Ag alloys and explain the experimental TEM data.
Degree
thesis:*- Name thesis:degree_name
- Ph.D.
- Level thesis:degree_level
- Dissertation
- Discipline thesis:degree_discipline
- Physics
- Grantor
- University of Illinois at Urbana-Champaign
- Year dc:date
- 2015
Author and committee
dc:creator, dc:contributor.*- Author dc:creator
-
- Zarkevich, Nikolai Andreevich
- Contributors dc:contributor
-
- Johnson, Duane D.
Subjects
dc:subject × 1Rights
- Language dc:language
- eng
Identifiers
dc:identifier.*- Identifier
- (MiAaPQ)AAI3102008
- OAI identifier oai:identifier
- oai:www.ideals.illinois.edu:2142/80498