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University of Illinois at Urbana-Champaign
Self-Consistent Phonon Theory of Aperiodic Solids and Density Functional Theories of Freezing and Vitrification
Abstract
dc:descriptionWe extend Fixman's self-consistent phonon theory of the thermodynamic properties and fluctuations of the hard sphere crystal to an amorphous lattice. In doing so, we develop a theory of lattice vibrations in amorphous materials via a perturbation theory around the Einstein oscillator approximation. This development is analogous to the mean spherical model description of electronic excitations in liquids. The theory exhibits a mechanical instability rather close to computer simulated glass transitions, suggesting the possibility that the simulations probe only linear stability because of the short simulation times.
Degree
thesis:*- Name thesis:degree_name
- Ph.D.
- Level thesis:degree_level
- Dissertation
- Discipline thesis:degree_discipline
- Chemical Engineering
- Grantor
- University of Illinois at Urbana-Champaign
- Year dc:date
- 2015
Author and committee
dc:creator, dc:contributor.*- Author dc:creator
-
- Stoessel, James Peter
Subjects
dc:subject × 1Rights
- Language dc:language
- eng
Identifiers
dc:identifier.*- Identifier
- (UMI)AAI8600326
- OAI identifier oai:identifier
- oai:www.ideals.illinois.edu:2142/77314