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Description
he accurate simulation of many-body quantum systems is a challenge for computational physics. Quantum Monte Carlo methods are a class of algorithms that can be used to solve the many-body problem. I study many-body quantum systems with Path Integral Monte Carlo techniques in three related areas of semiconductor physics: (1)

he accurate simulation of many-body quantum systems is a challenge for computational physics. Quantum Monte Carlo methods are a class of algorithms that can be used to solve the many-body problem. I study many-body quantum systems with Path Integral Monte Carlo techniques in three related areas of semiconductor physics: (1) the role of correlation in exchange coupling of spins in double quantum dots, (2) the degree of correlation and hyperpolarizability in Stark shifts in InGaAs/GaAs dots, and (3) van der Waals interactions between 1-D metallic quantum wires at finite temperature. The two-site model is one of the simplest quantum problems, yet the quantitative mapping from a three-dimensional model of a quantum double dot to an effective two-site model has many subtleties requiring careful treatment of exchange and correlation. I calculate exchange coupling of a pair of spins in a double dot from the permutations in a bosonic path integral, using Monte Carlo method. I also map this problem to a Hubbard model and find that exchange and correlation renormalizes the model parameters, dramatically decreasing the effective on-site repulsion at larger separations. Next, I investigated the energy, dipole moment, polarizability and hyperpolarizability of excitonic system in InGaAs/GaAs quantum dots of different shapes and successfully give the photoluminescence spectra for different dots with electric fields in both the growth and transverse direction. I also showed that my method can deal with the higher-order hyperpolarizability, which is most relevant for fields directed in the lateral direction of large dots. Finally, I show how van der Waals interactions between two metallic quantum wires change with respect to the distance between them. Comparing the results from quantum Monte Carlo and the random phase approximation, I find similar power law dependance. My results for the calculation in quasi-1D and exact 1D wires include the effect of temperature, which has not previously been studied.
ContributorsZhang, Lei (Author) / Shumway, John (Thesis advisor) / Schmidt, Kevin (Committee member) / Bennet, Peter (Committee member) / Menéndez, Jose (Committee member) / Drucker, Jeff (Committee member) / Arizona State University (Publisher)
Created2011
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Description

Over the years, advances in research have continued to decrease the size of computers from the size of<br/>a room to a small device that could fit in one’s palm. However, if an application does not require extensive<br/>computation power nor accessories such as a screen, the corresponding machine could be microscopic,<br/>only

Over the years, advances in research have continued to decrease the size of computers from the size of<br/>a room to a small device that could fit in one’s palm. However, if an application does not require extensive<br/>computation power nor accessories such as a screen, the corresponding machine could be microscopic,<br/>only a few nanometers big. Researchers at MIT have successfully created Syncells, which are micro-<br/>scale robots with limited computation power and memory that can communicate locally to achieve<br/>complex collective tasks. In order to control these Syncells for a desired outcome, they must each run a<br/>simple distributed algorithm. As they are only capable of local communication, Syncells cannot receive<br/>commands from a control center, so their algorithms cannot be centralized. In this work, we created a<br/>distributed algorithm that each Syncell can execute so that the system of Syncells is able to find and<br/>converge to a specific target within the environment. The most direct applications of this problem are in<br/>medicine. Such a system could be used as a safer alternative to invasive surgery or could be used to treat<br/>internal bleeding or tumors. We tested and analyzed our algorithm through simulation and visualization<br/>in Python. Overall, our algorithm successfully caused the system of particles to converge on a specific<br/>target present within the environment.

ContributorsMartin, Rebecca Clare (Author) / Richa, Andréa (Thesis director) / Lee, Heewook (Committee member) / Computer Science and Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor, Contributor) / Barrett, The Honors College (Contributor)
Created2021-05
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Description

Optimal foraging theory provides a suite of tools that model the best way that an animal will <br/>structure its searching and processing decisions in uncertain environments. It has been <br/>successful characterizing real patterns of animal decision making, thereby providing insights<br/>into why animals behave the way they do. However, it does

Optimal foraging theory provides a suite of tools that model the best way that an animal will <br/>structure its searching and processing decisions in uncertain environments. It has been <br/>successful characterizing real patterns of animal decision making, thereby providing insights<br/>into why animals behave the way they do. However, it does not speak to how animals make<br/>decisions that tend to be adaptive. Using simulation studies, prior work has shown empirically<br/>that a simple decision-making heuristic tends to produce prey-choice behaviors that, on <br/>average, match the predicted behaviors of optimal foraging theory. That heuristic chooses<br/>to spend time processing an encountered prey item if that prey item's marginal rate of<br/>caloric gain (in calories per unit of processing time) is greater than the forager's<br/>current long-term rate of accumulated caloric gain (in calories per unit of total searching<br/>and processing time). Although this heuristic may seem intuitive, a rigorous mathematical<br/>argument for why it tends to produce the theorized optimal foraging theory behavior has<br/>not been developed. In this thesis, an analytical argument is given for why this<br/>simple decision-making heuristic is expected to realize the optimal performance<br/>predicted by optimal foraging theory. This theoretical guarantee not only provides support<br/>for why such a heuristic might be favored by natural selection, but it also provides<br/>support for why such a heuristic might a reliable tool for decision-making in autonomous<br/>engineered agents moving through theatres of uncertain rewards. Ultimately, this simple<br/>decision-making heuristic may provide a recipe for reinforcement learning in small robots<br/>with little computational capabilities.

ContributorsCothren, Liliaokeawawa Kiyoko (Author) / Pavlic, Theodore (Thesis director) / Brewer, Naala (Committee member) / School of Mathematical and Statistical Sciences (Contributor, Contributor) / Barrett, The Honors College (Contributor)
Created2021-05
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Description
ABSTRACT Group III-nitride semiconductor materials have been commercially used in fabrication of light-emitting diodes (LEDs) and laser diodes (LDs) covering the spectral range from UV to visible and infrared, and exhibit unique properties suitable for modern optoelectronic applications. Great advances have recently happened in the research and development in high-power

ABSTRACT Group III-nitride semiconductor materials have been commercially used in fabrication of light-emitting diodes (LEDs) and laser diodes (LDs) covering the spectral range from UV to visible and infrared, and exhibit unique properties suitable for modern optoelectronic applications. Great advances have recently happened in the research and development in high-power and high-efficiency blue-green-white LEDs, blue LDs and other optoelectronic applications. However, there are still many unsolved challenges with these materials. In this dissertation, several issues concerning structural, electronic and optical properties of III-nitrides have been investigated using a combination of transmission electron microscopy (TEM), electron holography (EH) and cathodoluminescence (CL) techniques. First, a trend of indium chemical inhomogeneity has been found as the indium composition increases for the InGaN epitaxial layers grown by hydride vapor phase epitaxy. Second, different mechanisms contributing to the strain relaxation have been studied for non-polar InGaN epitaxial layers grown on zinc oxide (ZnO) substrate. Third, various structural morphologies of non-polar InGaN epitaxial layers grown on free-standing GaN substrate have been investigated. Fourth, the effect of the growth temperature on the performance of GaN lattice-matched InAlN electron blocking layers has been studied. Finally, the electronic and optical properties of GaN nanowires containing a AlN/GaN superlattice structure have been investigated showing relatively small internal electric field and superlattice- and defect-related emissions along the nanowires.
ContributorsSun, Kewei (Author) / Ponce, Fernando (Thesis advisor) / Smith, David (Committee member) / Treacy, Michael (Committee member) / Drucker, Jeffery (Committee member) / Schmidt, Kevin (Committee member) / Arizona State University (Publisher)
Created2011
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Description
One of the most important issues in femtosecond free electron laser X-ray diraction is to reconstruct the 3D charge density of molecule from a mass of diraction snapshots. In order to determine the orientation of single molecule from diraction patterns, we rst determine the moments and products of inertia of

One of the most important issues in femtosecond free electron laser X-ray diraction is to reconstruct the 3D charge density of molecule from a mass of diraction snapshots. In order to determine the orientation of single molecule from diraction patterns, we rst determine the moments and products of inertia of this from 2D experiment data (diraction patterns or EM images to obtain the elements of the inertia tensor. If diraction patterns from uniformly random orientations or some preferred orientations are collected, the principal axes of the molecule can be extracted, together with the Euler angles which relate the principal axes of the molecule to the laboratory frame axes. This is achieved by nding the maximum and minimum values for the measured moments from many single-molecule patterns. Simulations for GroEL protein indicates that the calculation of the autocorrelation help eliminate the Poisson noise in Cryo- EM images and can make correct orientation determination. The eect of water jacket surrounding the protein molecule is studied based on molecular dynamics simulation result. The intensities from water and interference is found to suppress those from protein itself. A method is proposed and applied to the simulation data to show the possibility for it to overcome the water background problem. The scattering between Bragg re ections from nanocrystals is used to aid solution of the phase problem. We describe a method for reconstructing the charge density of a typical molecule within a single unit cell, if suciently nely-sampled diraction data are available from many nanocrystals of dierent sizes lying in the same orientations without knowledge of the distribution of particle size or requiring atomic-resolution data. Triple correlation of the diraction patterns are made use of to reconiii
ContributorsWang, Xiaoyu (Author) / Spence, John C.H. (Thesis advisor) / Schmidt, Kevin (Committee member) / Doak, R. Bruce (Committee member) / Weierstall, Uwe (Committee member) / Ros, Robert (Committee member) / Arizona State University (Publisher)
Created2011
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Description
After a decade of efforts, accurate and affordable DNA sequencing continues to remain an important goal in current research landscape. This thesis starts with a brief overview of the recent updates in the field of DNA sequencing technologies followed by description of the nanofluidics route to single molecule DNA detection.

After a decade of efforts, accurate and affordable DNA sequencing continues to remain an important goal in current research landscape. This thesis starts with a brief overview of the recent updates in the field of DNA sequencing technologies followed by description of the nanofluidics route to single molecule DNA detection. Chapter 2 presents discusses carbon nanotube(CNT) based nanofluidics. The fabrication and DNA sensing measurements of CNT forest membrane devices are presented. Chapter 3 gives the background for functionalization and recognition aspects of reader molecules. Chapter 4 marks the transition to solid state nanopore nanofluidics. The fabrication of Imidazole functionalized nanopores is discussed. The Single Molecule detection results of DNA from Palladium nanopore devices are presented next. Combining chemical recognition to nanopore technology, it has been possible to prolong the duration of single molecule events from the order of a few micro seconds to upto a few milliseconds. Overall, the work presented in this thesis promises longer single molecule detection time in a nanofludic set up and paves way for novel nanopore- tunnel junction devices that combine recognition chemistry, tunneling device and nanopore approach.
ContributorsKrishnakumar, Padmini (Author) / Lindsay, Stuart (Thesis advisor) / He, Jin (Committee member) / Vaiana, Sara (Committee member) / Schmidt, Kevin (Committee member) / Arizona State University (Publisher)
Created2013
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Description
This thesis deals with the first measurements done with a cold neutron beam at the Spallation Neutron Source at Oak Ridge National Laboratory. The experimental technique consisted of capturing polarized cold neutrons by nuclei to measure parity-violation in the angular distribution of the gamma rays following neutron capture. The measurements

This thesis deals with the first measurements done with a cold neutron beam at the Spallation Neutron Source at Oak Ridge National Laboratory. The experimental technique consisted of capturing polarized cold neutrons by nuclei to measure parity-violation in the angular distribution of the gamma rays following neutron capture. The measurements presented here for the nuclei Chlorine ( 35Cl) and Aluminum ( 27Al ) are part of a program with the ultimate goal of measuring the asymmetry in the angular distribution of gamma rays emitted in the capture of neutrons on protons, with a precision better than 10-8, in order to extract the weak hadronic coupling constant due to pion exchange interaction with isospin change equal with one ( hπ 1). Based on theoretical calculations asymmetry in the angular distribution of the gamma rays from neutron capture on protons has an estimated size of 5·10-8. This implies that the Al parity violation asymmetry and its uncertainty have to be known with a precision smaller than 4·10-8. The proton target is liquid Hydrogen (H2) contained in an Aluminum vessel. Results are presented for parity violation and parity-conserving asymmetries in Chlorine and Aluminum. The systematic and statistical uncertainties in the calculation of the parity-violating and parity-conserving asymmetries are discussed.
ContributorsBalascuta, Septimiu (Author) / Alarcon, Ricardo (Thesis advisor) / Belitsky, Andrei (Committee member) / Doak, Bruce (Committee member) / Comfort, Joseph (Committee member) / Schmidt, Kevin (Committee member) / Arizona State University (Publisher)
Created2012
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Description
Quark matter at sufficiently high density and low temperature is expected to be a color superconductor, and may exist in the interior of neutron stars. The properties of two simplest possible color-superconducting phases, i.e., the color-flavor-locked (CFL) and two-flavor superconducting (2SC) phases, are reviewed. The effect of a magnetic field

Quark matter at sufficiently high density and low temperature is expected to be a color superconductor, and may exist in the interior of neutron stars. The properties of two simplest possible color-superconducting phases, i.e., the color-flavor-locked (CFL) and two-flavor superconducting (2SC) phases, are reviewed. The effect of a magnetic field on the pairing dynamics in two-flavor color-superconducting dense quark matter is investigated. A universal form of the gap equation for an arbitrary magnetic field is derived in the weakly coupled regime of QCD at asymptotically high density, using the framework of Schwinger-Dyson equation in the improved rainbow approximation. The results for the gap in two limiting cases, weak and strong magnetic fields, are obtained and discussed. It is shown that the superconducting gap function in the weak magnetic field limit develops a directional dependence in momentum space. This property of the gap parameter is argued to be a consequence of a long-range interaction in QCD.
ContributorsYu, Lang (Author) / Shovkovy, Igor A. (Thesis advisor) / Lunardini, Cecilia (Committee member) / Schmidt, Kevin (Committee member) / Alarcon, Ricardo (Committee member) / Lebed, Richard (Committee member) / Arizona State University (Publisher)
Created2012
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Description
Preliminary feasibility studies for two possible experiments with the GlueX detector, installed in Hall D of Jefferson Laboratory, are presented. First, a general study of the feasibility of detecting the ηC at the current hadronic rate is discussed, without regard for detector or reconstruction efficiency. Second, a study of the

Preliminary feasibility studies for two possible experiments with the GlueX detector, installed in Hall D of Jefferson Laboratory, are presented. First, a general study of the feasibility of detecting the ηC at the current hadronic rate is discussed, without regard for detector or reconstruction efficiency. Second, a study of the use of statistical methods in studying exotic meson candidates is outlined, describing methods and providing preliminary data on their efficacy.
ContributorsPrather, Benjamin Scott (Author) / Ritchie, Barry G. (Thesis director) / Dugger, Michael (Committee member) / Barrett, The Honors College (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Department of Physics (Contributor)
Created2015-05
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Description
Many programmable matter systems have been proposed and realized recently, each often tailored toward a particular task or physical setting. In our work on self-organizing particle systems, we abstract away from specific settings and instead describe programmable matter as a collection of simple computational elements (to be referred to as

Many programmable matter systems have been proposed and realized recently, each often tailored toward a particular task or physical setting. In our work on self-organizing particle systems, we abstract away from specific settings and instead describe programmable matter as a collection of simple computational elements (to be referred to as particles) with limited computational power that each perform fully distributed, local, asynchronous algorithms to solve system-wide problems of movement, configuration, and coordination. In this thesis, we focus on the compression problem, in which the particle system gathers as tightly together as possible, as in a sphere or its equivalent in the presence of some underlying geometry. While there are many ways to formalize what it means for a particle system to be compressed, we address three different notions of compression: (1) local compression, in which each individual particle utilizes local rules to create an overall convex structure containing no holes, (2) hole elimination, in which the particle system seeks to detect and eliminate any holes it contains, and (3) alpha-compression, in which the particle system seeks to shrink its perimeter to be within a constant factor of the minimum possible value. We analyze the behavior of each of these algorithms, examining correctness and convergence where appropriate. In the case of the Markov Chain Algorithm for Compression, we provide improvements to the original bounds for the bias parameter lambda which influences the system to either compress or expand. Lastly, we briefly discuss contributions to the problem of leader election--in which a particle system elects a single leader--since it acts as an important prerequisite for compression algorithms that use a predetermined seed particle.
ContributorsDaymude, Joshua Jungwoo (Author) / Richa, Andrea (Thesis director) / Kierstead, Henry (Committee member) / Computer Science and Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05