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Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation

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Title
Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation
Name (type = personal)
NamePart (type = family)
Xu
NamePart (type = given)
Guangji
NamePart (type = date)
1986-
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Guangji Xu
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RoleTerm (authority = RULIB)
author
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WANG
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HAO
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HAO WANG
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Advisory Committee
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chair
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Balaguru
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Perumalsamy
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Perumalsamy Balaguru
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Advisory Committee
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internal member
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Yong
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Yook-Kong
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Yook-Kong Yong
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Advisory Committee
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internal member
Name (type = personal)
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Vishnyakov
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Aleksey
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Aleksey Vishnyakov
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Advisory Committee
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outside member
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Rutgers University
Role
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degree grantor
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NamePart
Graduate School - New Brunswick
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school
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Text
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theses
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DateCreated (qualifier = exact)
2017
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2017-05
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2017
Place
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xx
Language
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eng
Abstract (type = abstract)
The objectives of this dissertation are to discover the chemo-mechanical relationship of asphalt binder, to investigate asphalt-aggregate interfacial mechanical behavior, and to understand moisture damage and rejuvenation mechanism using computational modeling. Molecular dynamics (MD) simulations were utilized to understand the properties of assemblies of asphalt molecules in terms of their chemical compositions, molecular structures and atomic interaction, which serve as complements to conventional laboratory experiments conducted at the macroscopic level. Molecular models of asphalt material were prepared and a series of molecular simulations were carried out. The following tasks were conducted using MD simulations: (1) identify and validate available molecular models of asphalt binder; (2) predict physical, thermodynamic, rheological, and diffusive properties of asphalt binder; (3) build atomistic models for asphalt-aggregate interface, and study adhesion and moisture damage; (4) link asphalt chemical compositions to asphalt properties and asphalt-aggregate interfacial interaction; (5) develop molecular models for aged asphalt, and investigate how oxidative aging affect properties of asphalt binders; (6) build molecular model for asphalt rejuvenator, and investigate interaction between virgin and aged asphalt binder with rejuvenator effect. The MD simulation results showed a reasonable agreement with experimental data and observations. MD simulation can be used as a powerful tool to study asphalt properties, giving the optimal molecular models and appropriate force field are available. Fundamental chemo-physical and chemo-mechanical relationship of asphalt binders can be studied by MD simulations. Insights into the deformation and failure mechanism of asphalt-aggregate interface at an atomistic scale provided by MD simulations enable better understand adhesion and moisture damage of asphalt mixture. The molecular interactions between virgin asphalt, aged asphalt, and rejuvenator is a sophisticated process but of great practical importance for recycling of asphalt binder. MD investigations can be further used to select the optimum type and amount of rejuvenator in an accelerated manner with less experiment effort.
Subject (authority = RUETD)
Topic
Civil and Environmental Engineering
RelatedItem (type = host)
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Title
Rutgers University Electronic Theses and Dissertations
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ETD
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ETD_7961
PhysicalDescription
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electronic resource
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application/pdf
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text/xml
Extent
1 online resource (xiv, 157 p. : ill.)
Note (type = degree)
Ph.D.
Note (type = bibliography)
Includes bibliographical references
Subject (authority = ETD-LCSH)
Topic
Asphalt concrete
Subject (authority = ETD-LCSH)
Topic
Molecular dynamics--Computer simulation
Note (type = statement of responsibility)
by Guangji Xu
RelatedItem (type = host)
TitleInfo
Title
Graduate School - New Brunswick Electronic Theses and Dissertations
Identifier (type = local)
rucore19991600001
Location
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NjNbRU
Identifier (type = doi)
doi:10.7282/T33J3GXK
Genre (authority = ExL-Esploro)
ETD doctoral
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Rights

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The author owns the copyright to this work.
RightsHolder (type = personal)
Name
FamilyName
Xu
GivenName
Guangji
Role
Copyright Holder
RightsEvent
Type
Permission or license
DateTime (encoding = w3cdtf); (qualifier = exact); (point = start)
2017-04-08 13:37:57
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Name
Guangji Xu
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Affiliation
Rutgers University. Graduate School - New Brunswick
AssociatedObject
Type
License
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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)
2017-05-31
DateTime (encoding = w3cdtf); (qualifier = exact); (point = end)
2018-05-31
Type
Embargo
Detail
Access to this PDF has been restricted at the author's request. It will be publicly available after May 31st, 2018.
Copyright
Status
Copyright protected
Availability
Status
Open
Reason
Permission or license
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