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Molecular dynamic simulations of LA₂O₃ and LU₂O₃ doped silicate intergranular films in β-SI₃N₄
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TitleInfo
Title
Molecular dynamic simulations of LA₂O₃ and LU₂O₃ doped silicate intergranular films in β-SI₃N₄
Name
(type = personal)
NamePart
(type = family)
Jiang
NamePart
(type = given)
Yun
NamePart
(type = date)
1985-
DisplayForm
Yun Jiang
Role
RoleTerm
(authority = RULIB)
author
Name
(type = personal)
NamePart
(type = family)
GAROFALINI
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(type = given)
STEPHEN H
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STEPHEN H GAROFALINI
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
chair
Name
(type = personal)
NamePart
(type = family)
KLEIN
NamePart
(type = given)
LISA C
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LISA C KLEIN
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
internal member
Name
(type = personal)
NamePart
(type = family)
Cosandey
NamePart
(type = given)
Frederic
DisplayForm
Frederic Cosandey
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
internal member
Name
(type = personal)
NamePart
(type = family)
Batson
NamePart
(type = given)
Philip E
DisplayForm
Philip E Batson
Affiliation
Advisory Committee
Role
RoleTerm
(authority = RULIB)
outside member
Name
(type = corporate)
NamePart
Rutgers University
Role
RoleTerm
(authority = RULIB)
degree grantor
Name
(type = corporate)
NamePart
Graduate School - New Brunswick
Role
RoleTerm
(authority = RULIB)
school
TypeOfResource
Text
Genre
(authority = marcgt)
theses
OriginInfo
DateCreated
(qualifier = exact)
2014
DateOther
(qualifier = exact);
(type = degree)
2014-01
Place
PlaceTerm
(type = code)
xx
Language
LanguageTerm
(authority = ISO639-2b);
(type = code)
eng
Abstract
(type = abstract)
Thin, amorphous intergranular films (IGFs) ubiquitously exist at grain boundaries of polycrystalline ceramics. They play an important role in determining the macroscopic properties of high temperature structural ceramics. Silicon nitride ceramics (Si3N4) are high temperature structural ceramics due to their outstanding physical and mechanical properties at elevated temperature. The formation of the anisotropic grains of silicon nitride is very sensitive to the dopant cations used as sintering additives. HAADF-STEM images have shown that rare earth (RE) ions take very ordered locations, dependant upon the RE species, along the IGF/Prism interface in Si3N4 ceramics. However, such segregation does not explain the differences in morphology resulting from incorporation of the different RE additives. Atomistic details not readily available in experiments need to be collected. Molecular dynamics computer simulations are used to evaluate the structure, energy and fracture behavior of silicon oxynitride intergranular films (IGFs) containing rare-earth ions (La or Lu) between silicon nitride crystals as a function of IGF thickness, composition, and crystal orientations (prism, basal, and high index). La adsorption on the prism surface is observed at locations consistent with HAADF-STEM results. La segregation corresponding to N content is discussed. A variation in the local composition would cause some IGFs to show segregation of all La to the interface, leaving little La within the glassy IGF, while other IGFs may show more La remaining in the glassy IGF. Such differences affect strength. Lu does not adsorb onto a fully nitride prism surface. The presence of O at certain surface lattice sites plays a major role in the adsorption of Lu ions onto those sites consistent with HAADF-STEM results but has little effect on La siteing. .Energies of the La or Lu ions as a function of location are calculated to provide an explanation for the segregation behavior as well as consideration of their role in the glassy state of the IGF. Growth along the crystal surface is studied, providing an atomistic mechanism for the experimentally observed anisotropic grain growth of silicon nitride influenced by the different additives. Fracture strengths via stress-strain curves are calculated.
Subject
(authority = RUETD)
Topic
Materials Science and Engineering
RelatedItem
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TitleInfo
Title
Rutgers University Electronic Theses and Dissertations
Identifier
(type = RULIB)
ETD
Identifier
ETD_5178
PhysicalDescription
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electronic resource
InternetMediaType
application/pdf
InternetMediaType
text/xml
Extent
xiv, 130 p. : ill.
Note
(type = degree)
Ph.D.
Note
(type = bibliography)
Includes bibliographical references
Note
(type = statement of responsibility)
by Yun Jiang
Subject
(authority = ETD-LCSH)
Topic
Silicon nitride
Subject
(authority = ETD-LCSH)
Topic
Thin films
RelatedItem
(type = host)
TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier
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rucore19991600001
Location
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(displayLabel = Rutgers, The State University of New Jersey)
NjNbRU
Identifier
(type = doi)
doi:10.7282/T3H70CXT
Genre
(authority = ExL-Esploro)
ETD doctoral
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Rights
RightsDeclaration
(ID = rulibRdec0006)
The author owns the copyright to this work.
RightsHolder
(type = personal)
Name
FamilyName
Jiang
GivenName
Yun
Role
Copyright Holder
RightsEvent
Type
Permission or license
DateTime
(encoding = w3cdtf);
(qualifier = exact);
(point = start)
2013-12-04 13:41:20
AssociatedEntity
Name
Yun Jiang
Role
Copyright holder
Affiliation
Rutgers University. Graduate School - New Brunswick
AssociatedObject
Type
License
Name
Author Agreement License
Detail
I hereby grant to the Rutgers University Libraries and to my school the non-exclusive right to archive, reproduce and distribute my thesis or dissertation, in whole or in part, and/or my abstract, in whole or in part, in and from an electronic format, subject to the release date subsequently stipulated in this submittal form and approved by my school. I represent and stipulate that the thesis or dissertation and its abstract are my original work, that they do not infringe or violate any rights of others, and that I make these grants as the sole owner of the rights to my thesis or dissertation and its abstract. I represent that I have obtained written permissions, when necessary, from the owner(s) of each third party copyrighted matter to be included in my thesis or dissertation and will supply copies of such upon request by my school. I acknowledge that RU ETD and my school will not distribute my thesis or dissertation or its abstract if, in their reasonable judgment, they believe all such rights have not been secured. I acknowledge that I retain ownership rights to the copyright of my work. I also retain the right to use all or part of this thesis or dissertation in future works, such as articles or books.
RightsEvent
DateTime
(encoding = w3cdtf);
(qualifier = exact);
(point = start)
2014-01-31
DateTime
(encoding = w3cdtf);
(qualifier = exact);
(point = end)
2015-01-31
Type
Embargo
Detail
Access to this PDF has been restricted at the author's request. It will be publicly available after January 31st, 2015.
Copyright
Status
Copyright protected
Availability
Status
Open
Reason
Permission or license
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Technical
RULTechMD
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ContentModel
ETD
OperatingSystem
(VERSION = 5.1)
windows xp
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