Condensed Matter Physics Commons^™

Limitations Of Zt As A Figure Of Merit For Nanostructured Thermoelectric Materials, Xufeng Wang, Mark Lundstrom

Department of Electrical and Computer Engineering Faculty Publications

Thermoelectric properties of nanocomposites are numerically studied as a function of average grain size or nanoparticle density by simulating the measurements as they would be done experimentally. In accordance with previous theoretical and experimental results, we find that the Seebeck coefficient, power factor and figure of merit, zT, can be increased by nanostructuring when energy barriers exist around the grain boundaries or embedded nanoparticles. When we simulate the performance of a thermoelectric cooler with the same material, however, we find that the maximum temperature difference is much less than expected from the given zT. This occurs because the …

Photonicstd-2d: Modeling Light Scattering In Periodic Multilayer Photonic Structures, Alexey Bondarev, Shaimaa Azzam, Zhaxylyk Kudyshev, Alexander V. Kildishev

The Summer Undergraduate Research Fellowship (SURF) Symposium

Efficient modeling of electromagnetic processes in optical and plasmonic metamaterials is important for enabling new and exciting ways to manipulate light for advanced applications. In this work, we put together a tool for numerical simulation of propagation of normally incident light through a nanostructured multilayer composite material. The user builds a unit cell of a given material layer-by-layer starting from a substrate up to a superstrate, splitting each layer further into segments. The segments are defined by width and material -- dielectric, metal or active medium. Simulations are performed with the finite difference time domain (FDTD) method. A database of …

Energy Transfer And Localization In Molecular Crystals, Mitchell A. Wood

Open Access Dissertations

With the aim of developing new technologies for the detection and defeat of energetic materials, this collection of work was focused on using simulations to characterize materials at extremes of temperature, pressure and radiation. Each branch of the work here is collected by which material response is potentially used as the detectable signal.

Where the chemical response is of interest, this work will explore the possibility of non-statistical chemical reactions in condensed-phase energetic materials via reactive molecular dynamics (MD) simulations. We characterize the response of three unique high energy density molecular crystals to different means of energy input: electric fields …

Experimental Design And Construction For Critical Velocity Measurement In Spin-Orbit Coupled Bose-Einstein Condensates, Ting-Wei Hsu, Yong P. Chen

The Summer Undergraduate Research Fellowship (SURF) Symposium

Quantum simulation using ultra-cold atoms, such as Bose-Einstein Condensates (BECs), offers a very flexible and well controlled environment to simulate physics in different systems. For example, to simulate the effects of spin orbit coupling (SOC) on electrons in solid state systems, we can make a SOC BEC which mimics the behavior of SOC electrons. The goal of this project is to see how the superfluid property of BECs change in the presence of SOC. In particular, we plan to measure the critical velocity of an 87Rb BEC with and without SOC by stirring it with a laser. This laser needs …

Transport Studies In Graphene-Based Materials And Structures, Jiuning Hu

Open Access Dissertations

Graphene, a single atomic layer of graphite, has emerged as one of the most attractive materials in recent years for its many unique and excellent properties, inviting a broad area of fundamental studies and applications. In this thesis, we present some theoretical/experimental studies about the thermal, electronic and thermoelectric transport properties in graphene-based systems. We employ the molecular dynamic simulations to study the thermal transport in graphene nanoribbons (GNRs) exhibiting various properties, including chirality dependent thermal conductivity, thermal rectification in asymmetric GNRs, defects and isotopic engineering of the thermal conductivity and negative differential thermal conductance (NDTC) at large temperature biases. …

Growth Of Low Disorder Gaas/Algaas Heterostructures By Molecular Beam Epitaxy For The Study Of Correlated Electron Phases In Two Dimensions, John D. Watson

Open Access Dissertations

The unparalleled quality of GaAs/AlGaAs heterostructures grown by molecular beam epitaxy has enabled a wide range of experiments probing interaction effects in two-dimensional electron and hole gases. This dissertation presents work aimed at further understanding the key material-related issues currently limiting the quality of these 2D systems, particularly in relation to the fractional quantum Hall effect in the 2^nd Landau level and spin-based implementations of quantum computation.^ The manuscript begins with a theoretical introduction to the quantum Hall effect which outlines the experimental conditions necessary to study the physics of interest and motivates the use of the semiconductor growth …

Structural Characterization Of Multimetallic Nanoparticles, Vineetha Mukundan

Open Access Dissertations

Bimetallic and trimetallic alloy nanoparticles have enhanced catalytic activities due to their unique structural properties. Using in situ time-resolved synchrotron based x-ray diffraction, we investigated the structural properties of nanoscale catalysts undergoing various heat treatments. Thermal treatment brings about changes in particle size, morphology, dispersion of metals on support, alloying, surface electronic properties, etc. First, the mechanisms of coalescence and grain growth in PtNiCo nanoparticles supported on planar silica on silicon were examined in detail in the temperature range 400-900°C. The sintering process in PtNiCo nanoparticles was found to be accompanied by lattice contraction and L1₀chemical ordering. …

Modeling The Atomic And Electronic Structure Of Metal-Metal, Metal-Semiconductor And Semiconductor-Oxide Interfaces, Ganesh Krishna Hegde

Open Access Dissertations

The continuous downward scaling of electronic devices has renewed attention on the importance of the role of material interfaces in the functioning of key components in electronic technology in recent times. It has also brought into focus the utility of

atomistic modeling in providing insights from a materials design perspective. In this thesis, a combination of Semi Empirical Tight-Binding (TB), first-principles Density

Functional Theory and Reactive Molecular Dynamics (MD) modeling is used to study aspects of the electronic and atomic structure of three such 'canonical' material interfaces - Metal-Metal, Metal-Semiconductor and Semiconductor oxide interfaces.

An important contribution of this thesis …