Persistent Link:
http://hdl.handle.net/10150/277257
Title:
Far-infrared properties of halide glasses by molecular dynamics
Author:
Harrison, Richard Allen, 1963-
Issue Date:
1990
Publisher:
The University of Arizona.
Rights:
Copyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.
Abstract:
Recent discoveries of low-loss, far-infrared transmitting halide glasses have sparked much interest in extending fiber-optic technology into the infrared region. However, a far greater than theoretical loss has been observed which has slowed research in the field. For this reason, computer modeling of several halide glass systems was performed in order to develop a fundamental understanding of the relationships between structural and optical properties of these glasses. ZrF₄, ZrF₄/BaF₂, ZnCl₂ glasses and melts were prepared using an isothermal-isobaric molecular dynamics algorithm. The infrared spectra were then calculated by Fourier transforming the dipole moment autocorrelation functions of the basic structural units. The more ionic ZrF₄ based glasses showed good agreement with experimental data, whereas the covalently bonded ZnCl₂ glass did not. Addition of barium to ZrF₄ glass was found to reduce high frequency modes of vibration in the glass.
Type:
text; Thesis-Reproduction (electronic)
Keywords:
Physics, Molecular.; Engineering, Materials Science.; Computer Science.
Degree Name:
M.S.
Degree Level:
masters
Degree Program:
Graduate College
Degree Grantor:
University of Arizona
Advisor:
Deymier, Pierre Alix

Full metadata record

DC FieldValue Language
dc.language.isoen_USen_US
dc.titleFar-infrared properties of halide glasses by molecular dynamicsen_US
dc.creatorHarrison, Richard Allen, 1963-en_US
dc.contributor.authorHarrison, Richard Allen, 1963-en_US
dc.date.issued1990en_US
dc.publisherThe University of Arizona.en_US
dc.rightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.en_US
dc.description.abstractRecent discoveries of low-loss, far-infrared transmitting halide glasses have sparked much interest in extending fiber-optic technology into the infrared region. However, a far greater than theoretical loss has been observed which has slowed research in the field. For this reason, computer modeling of several halide glass systems was performed in order to develop a fundamental understanding of the relationships between structural and optical properties of these glasses. ZrF₄, ZrF₄/BaF₂, ZnCl₂ glasses and melts were prepared using an isothermal-isobaric molecular dynamics algorithm. The infrared spectra were then calculated by Fourier transforming the dipole moment autocorrelation functions of the basic structural units. The more ionic ZrF₄ based glasses showed good agreement with experimental data, whereas the covalently bonded ZnCl₂ glass did not. Addition of barium to ZrF₄ glass was found to reduce high frequency modes of vibration in the glass.en_US
dc.typetexten_US
dc.typeThesis-Reproduction (electronic)en_US
dc.subjectPhysics, Molecular.en_US
dc.subjectEngineering, Materials Science.en_US
dc.subjectComputer Science.en_US
thesis.degree.nameM.S.en_US
thesis.degree.levelmastersen_US
thesis.degree.disciplineGraduate Collegeen_US
thesis.degree.grantorUniversity of Arizonaen_US
dc.contributor.advisorDeymier, Pierre Alixen_US
dc.identifier.proquest1339883en_US
dc.identifier.bibrecord.b26221949en_US
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