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Open Access

Author:: Jin, Jiezhu
Title:: Thermal Conductivity and Multiferroics Of Electroactive polymers and Polymer Composites
Graduate Program:: Materials Science and Engineering
Keywords:: thermal conductivity
conducting polymer
multiferroic
piezoelectric
PVDF-based polymer
File:: Download Jiezhu_Jin_Final_Dissertation.pdf
Committee Members:: Md Amanul Haque, Dissertation Advisor/Co-Advisor
Qing Wang, Dissertation Advisor/Co-Advisor
Ralph H Colby, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Hart, Kyle E
Title:: Development of Structure-property Relationships for Intrinsically Microporous Polymers through Molecular Simulations
Graduate Program:: Materials Science and Engineering
Keywords:: Molecular Simulation
Polymers of intrinsic microporosity
carbon dioxide adsorption
gas separation
PIMs
File:: Download Hart-Dissertation.pdf
Committee Members:: Coray M Colina, Dissertation Advisor/Co-Advisor
William George Noid, Committee Member
James Patrick Runt, Committee Member
Adrianus C Van Duin, Committee Member

Open Access

Author:: Sheth, Nisha Sanjay
Title:: A surface science perspective of the usable strength of glass
Graduate Program:: Materials Science and Engineering
Keywords:: glass
surface science
surface characterization
mechanical properties of materials
File:: Download Dissertation_nss4_shk1_jcm1_cgp1.pdf
Committee Members:: Seong Han Kim, Dissertation Advisor/Co-Advisor
Seong Han Kim, Committee Chair/Co-Chair
Carlo G. Pantano, Committee Member
John C Mauro, Committee Member
Adrianus C Van Duin, Outside Member

Open Access

Author:: Huang, Qingquan
Title:: DEVELOPMENT OF STABLE HIGH-CAPACITY SILICON-BASED ANODE AND LITHIUM METAL ANODE FOR LITHIUM-ION BATTERY
Graduate Program:: Materials Science and Engineering
Keywords:: lithium-ion battery
silicon anode
lithium metal anode
gel polymer electrolyte
File:: Download PHD_dissertation_of_Qingquan_Huang_V7.pdf
Committee Members:: Donghai Wang, Dissertation Advisor/Co-Advisor
Donghai Wang, Committee Chair/Co-Chair
Chao-Yang Wang, Committee Member
Adrianus C Van Duin, Committee Member
Long-Qing Chen, Outside Member

Open Access

Author:: Kim, Hongyeun
Title:: THERMODYNAMIC MODELING AND MECHANICAL PROPERTIES MODELING OF LONG PERIODIC STACKING ORDERED (LPSO) PHASES
Graduate Program:: Materials Science and Engineering
Keywords:: LPSO
Hardness model
Hall-Petch
File:: Download Hongyeun-Thesis-V11.pdf
Committee Members:: Zi-Kui Liu, Dissertation Advisor/Co-Advisor
Zi-Kui Liu, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Hojong Kim, Committee Member
Adrianus C Van Duin, Outside Member

Open Access

Author:: Liu, Zhe
Title:: MULTISCALE MODELING OF LITHIUM METAL ANODE FOR NEXT-GENERATION BATTERY DESIGN
Graduate Program:: Materials Science and Engineering
Keywords:: Lithium ion battery
Lithium metal anode
Dendrite growth
Phase-field modeling
Electrodeposition
Density functional theory
File:: Download Zhe_Liu_PhD_Dissertation_Final.pdf
Committee Members:: Long-Qing Chen, Dissertation Advisor/Co-Advisor
Long-Qing Chen, Committee Chair/Co-Chair
Chao-Yang Wang, Committee Member
Ismaila Dabo, Committee Member
Adrianus C Van Duin, Outside Member
John C Mauro, Program Head/Chair

Open Access

Author:: Walter, Timothy Noah
Title:: Processing of two-dimensional molybdenum disulfdie: oxidation, etching, and deposition on the basal plane for novel nanofabrication processes
Graduate Program:: Materials Science and Engineering
Keywords:: MoS2
contact engineering
oxidation
ALD
nanofabrication
File:: Download TNW_Dissertation_final.pdf
Committee Members:: Suzanne E Mohney, Dissertation Advisor/Co-Advisor
Suzanne E Mohney, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Member
Saptarshi Das, Outside Member
Thomas Nelson Jackson, Committee Member
John C Mauro, Program Head/Chair

Open Access

Author:: Sengul, Mert Yigit
Title:: ATOMISTIC LEVEL INVESTIGATION OF DISSOLUTION, PRECIPITATION AND SURFACE DIFFUSION DYNAMICS AT THE AQUEOUS INTERFACES USING REAXFF AND APPLICATION OF DEEP LEARNING TO FORCE FIELD PARAMETERIZATION
Graduate Program:: Materials Science and Engineering
Keywords:: Cold Sintering Process
ReaxFF
Aqueous Interfaces
Deep Learning
Machine Learning
Molecular Dynamics
Surface Diffusion
Langmuir Model
File:: Download Sengul_MY_Dissertation_MatSE.pdf
Committee Members:: Clive A Randall, Dissertation Advisor/Co-Advisor
Clive A. Randall, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Ismaila Dabo, Committee Member
Enrique Daniel Gomez, Outside Member
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
John C Mauro, Program Head/Chair

Open Access

Author:: Burgess, Maximiliano
Title:: The Acetophenone Radical Anion: A Computational Investigation of Preferred Geometries
Graduate Program:: Materials Science and Engineering
Keywords:: Acetophenone
Crosslinked polyethylene (XLPE)
DFT
Molecular dynamics
Reactive force fields
High-voltage cables
File:: Download BurgessM_Thesis_Final_Submission.pdf
Committee Members:: Ismaila Dabo, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor
Michael T Lanagan, Committee Member
John C Mauro, Program Head/Chair

Restricted

Author:: Alzahrani, Atif
Title:: ENABLING SAFE AND HIGH-ENERGY DENSITY ALL SOLID-STATE SULFUR BATTERIES
Graduate Program:: Materials Science and Engineering
Keywords:: Li-ion battery
Li-S battery
Solid-state electrolyte
Solid-state battery
File:: No files available due to restrictions.
Committee Members:: Donghai Wang, Dissertation Advisor/Co-Advisor
Donghai Wang, Committee Chair/Co-Chair
Chao-Yang Wang, Committee Member
Adrianus C Van Duin, Committee Member
Long-Qing Chen, Outside Member
John C Mauro, Program Head/Chair

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