Physics Commons^™

Exploring Dft+U Parameter Space With A Bayesian Calibration Assisted By Markov Chain Monte Carlo Sampling, Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco, Keenan X. Kocan, Sobhit Singh, Viviana Dovale-Farelo, Wilfredo Ibarra-Hernández, Matthew B. Johnson, David S. Mebane, Aldo H. Romero

Faculty & Staff Scholarship

The density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard correction to treat strongly correlated electronic states. Unfortunately, the values of the Hubbard U and J parameters are initially unknown, and they can vary from one material to another. In this semi-empirical study, we explore the U and J parameter space of a group of iron-based compounds to simultaneously improve the prediction of physical properties (volume, magnetic moment, and bandgap). We used a Bayesian calibration assisted by Markov chain Monte Carlo …

Experimental Investigations Of Contact Friction And Transport Properties Of Monolayer And Bilayer Graphene, Prakash Gajurel

Graduate Theses, Dissertations, and Problem Reports

Results obtained from experimental investigations of contact friction in monolayer and bilayers graphene and the related effects on their transport properties are presented here along with their discussion and interpretation. For this purpose, chemical vapor deposited (CVD) graphene samples on SiO₂/Si were prepared. The samples were characterized by atomic force microscopy (AFM), Raman and X-ray photoelectron spectroscopy (XPS). Summaries of the results are given below.

Defects-controlled friction in graphene is of technological importance but the underlying mechanism remains a subject of debate. The new results obtained from the analysis of lateral force microscopy images revealed that the contact …

Topic Modeling And Cultural Nature Of Citations, Marie Coraline Dumaz

Graduate Theses, Dissertations, and Problem Reports

Ever since the beginning of research journals, the number of academic publications has been increasing steadily. Nowadays, especially, with the new importance of online open-access journals and databases, research papers are more easily available to read and share. It also becomes harder to keep up with novelties and grasp an idea of the general impact of a given researcher, institution, journal, or field. For this reason, different bibliometric indicators are now routinely used to classify and evaluate the impact or significance of individual researchers, conferences, journals, or entire scientific communities. In this thesis, we provide tools to study trends in …

Development Of Synthetic Coal Char Simulant For Microwave Conversion Studies: A Computationally-Driven Approach, Kevin A. Hager

Graduate Theses, Dissertations, and Problem Reports

Recent experimental demonstration of new reaction windows for coal char/methane reactions that are less energy-intensive, provides innovation for modular reactors. However, the correlation of the exact mechanism for the enhancement of these reaction windows is not certain. This study investigates the simplification of these experimental studies by developing a well-characterized coal char simulant. The approach involves using a computational approach to screen macroscopic composition to replicate the dielectric and compositional response of actual char. This study is focused on PRB coal char. A discrete element method (DEM) technique was used to simulate the packing of coal chars to give the …

Investigation Of Ions Accelerated Through Electrostatic Menisci In An Inductively Coupled Plasma, David D. Caron

Graduate Theses, Dissertations, and Problem Reports

Plasmas are used in semiconductor fabrication as they allow for very precise control over processes such as etching and doping. This is achieved by extracting a beam of ions from the plasma to interact with and modify the surface of a silicon wafer. However, conventional fabrication methods are reaching spatial limitations as semiconductor features reach the atomic scale. Therefore, in order to better control the fabrication processes and facilitate the transition to three-dimensional architecture, a greater understanding of ion beam formation is needed. Ion beams are extracted at the boundary between the Debye sheath and an externally applied potential, which …

Recovery Of Phosphorus From Florida Phosphatic Waste Clay, Amir Eskanlou

Graduate Theses, Dissertations, and Problem Reports

This MS thesis examines the recovery of phosphorus (P) from Florida waste clay (WC). A comprehensive literature review revealed that: (i)-The most important values being lost to WC are P and rare earth elements (REEs). For the recovery of these values from WC, two crucial attempts are the removal of extremely fine-sized clays, followed by the recovery of phosphate content, which can pave the path for the recovery of REEs; (ii)-Any scientific/ technological solution should, at the same time, be economically and environmentally attractive to the industry. As such, moving from mostly chemical separation processes to the primarily physical/ physicochemical …

Majorana Nanostructures And Their Electrostatic Environment, Benjamin David Woods

Graduate Theses, Dissertations, and Problem Reports

Majorana zero modes (MZMs) are zero-energy excitations emerging in one- and two-dimensional topological superconductors. These exotic modes have attracted much attention in the last decade due to their topological protection and non-Abelian statistics, which make them possible building blocks for topological quantum computation. In particular, semiconductor-superconductor (SM-SC) nanostructures have attracted the most attention with several measurements being consistent with the presence of MZMs. Debate continues, however, whether MZMs or topologically-trivial Andreev bound states are responsible for such measurements.

In order to interpret experimental results distinguishing MZMs from Andreev bound states and gain a better understanding of what conditions need to …

Estimating The Azimuthal Mode Structure Of Ultra Low Frequency Waves And Its Effects On The Radial Diffusion Of Radiation Belt Electrons, Mohammad Barani

Graduate Theses, Dissertations, and Problem Reports

Characterizing the azimuthal mode number 𝑚 of Ultra Low Frequency (ULF) waves is critical to quantifying the radial diffusion of radiation belt electrons. A Wavelet cross-spectral technique is applied to the compressional ULF waves observed by multiple pairs of GOES and MMS satellites to estimate the mode structure of ULF waves. A more realistic distribution of mode numbers is achieved by inclusion of the modes corresponding to different wave propagation directions as well as at 𝑚 higher than fundamental mode number. For the event study of a geomagnetic storm using GOES data, ULF wave power is found to dominate at …

Magnetic Properties Of Lsmo/Sto Thin Films: Magnetocaloric, Spin Dynamics And Magnetic Viscosity Investigations, Navid Mottaghi

Graduate Theses, Dissertations, and Problem Reports

While other films are discussed, this dissertation will focus on detailed studies of the dc and ac bulk magnetometry in a characteristic 7.6 nm thin film of La_0.7Sr_0.3MnO₃ grown on SrTiO₃ (001). The dc bulk magnetometry measurements show that the sample is magnetically inhomogeneous. Temperature variation of magnetization (M vs. T) was measured in zero-field-cooled and field-cooled protocols to determine the blocking temperature T_B in different applied magnetic fields. The field variation of T_B is interpreted as the presence of embedded spin clusters of 1.4 nm. Moreover, the M vs. …

Equilibrium And Non-Equilibrium Ultrafast Carrier Transport And Dynamics In Chalcopyrite Semiconductors, Rishmali Thanuja Sooriyagoda

Graduate Theses, Dissertations, and Problem Reports

Chalcopyrite crystals in the II-IV-V₂ family have received significant interest due to their high nonlinearity, composition-tunable bandgaps, wide transparency windows, and high damage threshold. These semiconductors have been explored for electromagnetic (EM) screening, spintronic and photovoltaic applications, making them good optical and optoelectronic materials. This thesis uses terahertz spectroscopy to understand optical, electronic, and vibrational dynamical processes in CdGeP₂, ZnGeP₂ and CdSiP₂ chalcopyrite semiconductors.

We have employed Terahertz time-domain spectroscopy to investigate temperature-dependent ground-state properties of bulk chalcopyrite crystals that can be related to electronic transport and electron-lattice interactions. The complex spectra provide refraction and …

Single And Multi-Photon Laser Induced Fluorescence For Electric Thruster And Fusion Applications, Thomas E. Steinberger

Graduate Theses, Dissertations, and Problem Reports

Single and Multi-photon Laser Induced Fluorescence for Electric Thruster and Fusion Applications

Thomas Edward Steinberger

Laser-based diagnostics are increasingly sought after to investigate a variety of plasmas due to their non-perturbative capabilities. Specifically, laser induced fluorescence (LIF) provides a highly localized and precise spectroscopic technique to measure absolute density, temperature, and bulk flow. In this work, LIF and two-photon absorption laser induced fluorescence (TALIF) are used to investigate electric propulsion and fusion-relevant plasmas, respectively. Ion velocity distribution functions (IVDF) of singly ionized atomic iodine (I II) are measured for the first time and lineshape characteristics are presented for the diagnosis …