Search

Start Over Graduate Program Mechanical Engineering Committee Member James David Kubicki Keyword ReaxFF

1. Development Of A Reaxff Reactive Force Field For Titanium Dioxide/ Water Systems And Its Applications To Etching, Nanoparticles With Organic Solvents And Ion Adsorptions On Nanocrystalline Surfaces

open_access
Open Access
Author:
Kim, Sung-yup
Title:
Development Of A Reaxff Reactive Force Field For Titanium Dioxide/ Water Systems And Its Applications To Etching, Nanoparticles With Organic Solvents And Ion Adsorptions On Nanocrystalline Surfaces
Graduate Program:
Mechanical Engineering
Keywords:
ReaxFF
Reactive force field
titanium dioxide
nanoparticle
File:
Download Ph_D_Thesis_Sung-Yup_13Mar13.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
James David Kubicki, Committee Chair/Co-Chair
Richard A Yetter, Committee Member
Donghai Wang, Committee Member
Jorge Osvaldo Sofo, Committee Member

2. Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.

open_access
Open Access
Author:
Yeon, Jejoon
Title:
Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.
Graduate Program:
Mechanical Engineering
Keywords:
friction
tribology
tribochemistry
computational chemistry
reactive molecular dynamics
ReaxFF
MD
File:
Download 20160202_JejoonYeon_PhD_Dissertation_final.pdf
Committee Members:
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
Adrianus C Van Duin, Committee Chair/Co-Chair
Md Amanul Haque, Committee Member
Liming Chang, Committee Member
Seong Han Kim, Committee Member
James David Kubicki, Special Member