Physics Commons^™

A Non-Linear Eigensolver-Based Alternative To Traditional Self-Consistent Electronic Structure Calculation Methods, Brendan E. Gavin

Masters Theses 1911 - February 2014

This thesis presents a means of enhancing the iterative calculation techniques used in electronic structure calculations, particularly Kohn-Sham DFT. Based on the subspace iteration method of the FEAST eigenvalue solving algorithm, this nonlinear FEAST algorithm (NLFEAST) improves the convergence rate of traditional iterative methods and dramatically improves their robustness. A description of the algorithm is given, along with the results of numerical experiments that demonstrate its effectiveness and offer insight into the factors that determine how well it performs.

Efficient Modeling Techniques For Time-Dependent Quantum System With Applications To Carbon Nanotubes, Zuojing Chen

Masters Theses 1911 - February 2014

The famous Moore's law states: Since the invention of the integrated circuit, the number of transistors that can be placed on an integrated circuit has increased exponentially, doubling approximately every two years. As a result of the downscaling of the size of the transistor, quantum effects have become increasingly important while affecting significantly the device performances. Nowadays, at the nanometer scale, inter-atomic interactions and quantum mechanical properties need to be studied extensively. Device and material simulations are important to achieve these goals because they are flexible and less expensive than experiments. They are also important for designing and characterizing new …

Theoretical And Experimental Aspects Of The Higgs Mechanism In The Standard Model And Beyond, Alessandra Edda Baas

Masters Theses 1911 - February 2014

The Standard Model of particle physics is the best existing theory for describing the interactions between elementary particles. Even though the Standard Model has been confirmed in many experiments, there remain unanswered questions. One of the main questions is how fermions and most gauge bosons get masses; the Standard Model begins with them as massless. The Higgs effect is a mechanism to explain how fermions and several gauge bosons do get masses in the Standard Model. The corresponding Higgs boson is the only particle that has not yet been detected.

This Thesis gives a complete review of the Higgs effect …

Efficiency Of Parallel Tempering For Ising Systems, Stephan Burkhardt

Masters Theses 1911 - February 2014

The efficiency of parallel tempering Monte Carlo is studied for a two-dimensional Ising system of length L with N=L^2 spins. An external field is used to introduce a difference in free energy between the two low temperature states.

It is found that the number of replicas R_opt that optimizes the parallel tempering algorithm scales as the square root of the system size N. For two symmetric low temperature states, the time needed for equilibration is observed to grow as L^2.18. If a significant difference in free energy is present between the two states, this changes to L^1.02.

It is therefore …

Drag Reduction In Turbulent Flows Over Micropatterned Superhydrophobic Surfaces, Robert J. Daniello

Masters Theses 1911 - February 2014

Periodic, micropatterned superhydrophobic surfaces, previously noted for their ability to provide drag reduction in the laminar flow regime, have been demonstrated capable of reducing drag in the turbulent flow regime as well. Superhydrophobic surfaces contain micro or nanoscale hydrophobic features which can support a shear-free air-water interface between peaks in the surface topology. Particle image velocimetry and pressure drop measurements were used to observe significant slip velocities, shear stress, and pressure drop reductions corresponding to skin friction drag reductions approaching 50%. At a given Reynolds number, drag reduction was found to increase with increasing feature size and spacing, as in …