Search

Author:

Hossain, Md Jamil

Title:

Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces

Graduate Program:

Mechanical Engineering

Keywords:

ReaxFF
eReaxFF
Reactive Force Field
Reactive Molecular Dynamics
Computational Chemistry
Energy Storage
Interfaces
Lithium ion Battery
Solid Electrolyte Interphase
Solid Oxide
Electrocatalysis
graphene
Electron Conduction
Accelerated Molecular Dynamics
Parallel Replica Dynamics
Collective Variable Hyperdynamics

File:

Download PhD_Dissertation_Md_Jamil_Hossain.pdf

Committee Members:

Donghai Wang, Major Field Member
Chao-Yang Wang, Major Field Member
Michael Janik, Outside Unit & Field Member
Adri van Duin, Chair & Dissertation Advisor
Daniel Haworth, Professor in Charge/Director of Graduate Studies

Author:

Parekh, Mihir

Title:

Flowing Electrolyte Metal Batteries

Graduate Program:

Mechanical Engineering

Keywords:

Dendrite
Solid Electrolyte Interphase
Flowing Electrolyte
Metal anodes
Creeping flow

File:

Download PhD_Thesis_Final_Mihir_Parekh.pdf

Committee Members:

Sukwon Choi, Major Field Member
Christopher Rahn, Chair & Dissertation Advisor
Chao-Yang Wang, Major Field Member
Daniel Connell Haworth, Program Head/Chair
Long-Qing Chen, Outside Unit, Field & Minor Member

Author:

Khajeh Talkhoncheh, Mahdi

Title:

DEVELOPMENT AND APPLICATION OF A REAXFF REACTIVE FORCE FIELD FOR SOLID ELECTROLYTE INTERPHASE STUDY IN SILICON BASED LI-ION BATTERIES

Graduate Program:

Chemical Engineering

Keywords:

ReaxFF
Reactive Force Field
Reactive Molecular Dynamics
Computational Chemistry
Energy Storage
Lithium ion Battery
Solid Electrolyte Interphase
Etching
Graphene
Degradation

File:

Download Mahdi_PhD_Diss_5thRound.pdf

Committee Members:

Seong Kim, Professor in Charge/Director of Graduate Studies
Kristen Fichthorn, Major Field Member
Michael Janik, Major Field Member
Adri van Duin, Chair & Dissertation Advisor
Danielle Hickey, Outside Unit & Field Member