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Author:

Becker, Kelly E.

Title:

Accelerated Molecular Dynamics Simulation of Thermal Desorption

Graduate Program:

Chemical Engineering

Keywords:

accelerated molecular dynamics
temperature programmed desorption
simulation
desorption
alkanes

File:

Download Becker_ThesisMaster.pdf

Committee Members:

Kristen Ann Fichthorn, Committee Chair/Co-Chair
Seong H Kim, Committee Member
Janna Kay Maranas, Committee Member
Milton Walter Cole, Committee Member

Author:

Urban, Nathan Mark

Title:

Thermodynamics and structure of fluids physisorbed on nanotubes

Graduate Program:

Physics

Keywords:

semiclassical
heat capacity
low dimensional physics
restricted geometries
cylindrical geometry
nanotube bundle
thin film
nanopore
nanotube
Monte Carlo
condensed matter physics
thermodynamics
quantum mechanics
statistical mechanics
physisorption
simulation
computational physics
surface physics
surface science
surface adsorption
effective potential
Bose gas
quantum gas
quantum fluid
quantum solid
argon
hydrogen
carbon
magnesium oxide

File:

Download nurban-thesis.pdf

Committee Members:

Milton Walter Cole, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Jayanth R Banavar, Committee Member
Vincent Henry Crespi, Committee Member

Author:

Miron, Radu Alexandru

Title:

A journey across time scales: accelerated atomistic simulation of surface growth

Graduate Program:

Physics

Keywords:

molecular dynamics
simulation
accelerated
surface
growth
heteroepitaxy
small barrier
parallel

File:

Download althesis.pdf

Committee Members:

Kristen Ann Fichthorn, Committee Chair/Co-Chair
Milton Walter Cole, Committee Member
Vincent Henry Crespi, Committee Member
Janna Kay Maranas, Committee Member
Jayant Banavar, Committee Member