Atomic, Molecular and Optical Physics Commons^™

Tem Studies Of A New Modulated Structure In Mn2Rusn Alloy And Intermetallic Phases In Fe3+XCo3–XTi2 (X = 0, 1, 2, 3) Alloys, Xing-Zhong Li, Shah R. Valloppilly

Nebraska Center for Materials and Nanoscience: Faculty Publications

Heusler compounds are a remarkable class of intermetallic materials with wide-ranging and tunable properties. The Mn₂RuSn Heusler compound was reported as an L2₁B-type cubic phase, a = 0.62195 nm, distinguishing from the original L2₁ structure (or L2₁A-type). The L2₁B-type structure is a disordered variant of the inverse Heusler structure, XA-type (Prototype-CuHg₂Ti, space group No. 216, F4–3m).

In our recent work [1], we observed a new modulated structure derived from the XA-type structure and its orthogonal domains in the Mn₂RuSn Heusler alloy. The structural characterization was carried out …

Using Superatomic Clusters And Charge Transfer Ligands To Control Electronic Characteristics Of Phosphorene Nanoribbons And Phosphorene Monolayer, Ryan Lambert

Theses and Dissertations

Phosphorene is a two-dimensional electron poor p-type semiconductor with high carrier mobility and great promise for applications in electronics and optoelectronics. As the main theme in this dissertation, the following work represents different investigations of various electronic properties associated with phosphorene. Most notable are the findings on charge transfer doping with metal-chalcogenide superatoms which displays novel control of the two most important properties of a semiconductor – the band gap energy and the nature of carriers. By tuning the width of the gap and p-/n-type character of conduction, we gain control over a material’s capacity to play a certain role …

Surface Reconstruction In Iron Garnets, Sushree Dash

Dissertations, Master's Theses and Master's Reports

This dissertation presents the results of a study investigating the physical mechanisms underlying an unexpectedly large increase in magneto-optic efficiency observed in iron garnet. Such materials are technologically important for telecommunications due to their nonreciprocal optical action. In the past, our group had found evidence of an enhanced Faraday rotation in bismuth-substituted iron garnet films less than 50 nm thick. Subsequent investigation revealed that this enhancement could be traced to surface effects. This is significant because understanding these phenomena could be used to formulate engineering solutions for device miniaturization. In this dissertation, we present the result of a research project …

Detecting High-Lying Rydberg States Using Two-Step Electromagnetically Induced Transparency And Frequency Modulation Spectroscopy Techniques, Kate Jensen

Honors Theses

Resonant optical excitation of high-lying Rydberg states in room temperature 85Rb was investigated using light from two homemade external cavity diode lasers (ECDL). This was done using a ladder schema of the Electromagnetically Induced Transparency (EIT) technique. The approximate EIT wavelengths used were 780 nm (the probe beam) to provide step-wise excitation of valence rubidium electrons from the 5S1/2 → 5P3/2 tran- sition, and then 482 nm (the coupling beam) to excite from the 5P3/2 state to a high-lying Rydberg nD state with an orbital angular momentum = 2. Successful excitation of the Rydberg states was observed using Frequency Modulation …

Machine Learning For Electronic And Atomistic Simulations, Jun Yang

Dartmouth College Ph.D Dissertations

The demand for accurate and efficient atomistic simulations and electronic structure calculations in materials science and quantum chemistry has motivated the development of novel computational methodologies. The rapid evolution of machine learning has brought new techniques for advancing the accuracy, efficiency, and predictive power of atomistic simulations and electronic structure calculations.

In this thesis, we explore the symmetry requirements and physics intuitions needed for developing machine-learning interatomic potentials, which are the most critical component in atomistic simulations. Specifically, we introduce a novel physics-inspired graph neural network interatomic potential that enables accurate and efficient atomistic simulations of complex materials. The machine …

Development Of Interatomic Potential Of High Entropy Diborides With Artificial Intelligence Approach To Simulate The Thermo-Mechanical Properties, Nur Aziz Octoviawan

Graduate Theses/Dissertations

The interatomic potentials designed for binary/high entropy diborides and ultra-high temperature composites (UHTC) have been developed through the implementation of deep neural network (DNN) algorithms. These algorithms employed two different approaches and corresponding codes; 1) strictly local & invariant scalar-based descriptors as implemented in the DEEPMD code and 2) equivariant tensor-based descriptors as included in the ALLEGRO code. The samples for training and validation sets of the forces, energy, and virial data were obtained from the ab-initio molecular dynamics (AIMD) simulations and Density Functional Theory (DFT) calculations, including the simulation data from the ultra-high temperature region (> 2000K). The study …

Exploration And Synthesis Of Half-Heusler And Disordered Ternary Intermetallic Single Crystals, Md Fahel Bin Noor

Graduate Theses/Dissertations

Due to their distinct physical and chemical characteristics, half-Heusler compounds are intermetallic materials that have undergone substantial research. The general formula for these compounds is XYZ, where X and Y are transition metals and Z is a p-block element. Thermoelectricity is among the half-Heusler compounds' most exciting potential uses, but additional possible applications include spintronics, magnetic refrigeration, and superconductivity, among others. Recently, half-Heuslers (and Heuslers) have emerged as candidates for catalysts for hydrogenation. The CoNbSn half-Heusler compound, as well as another unique intermetallic ternary compound, the disordered Mn_4-xCr_xAl₁₁, were successfully grown as single crystals …

Large Cloud Droplets And The Initiation Of Ice By Pressure Fluctuations: Molecular Simulations And Airborne In-Situ Observations, Elise Rosky

Dissertations, Master's Theses and Master's Reports

From the molecular dynamics of water molecules to the global processes that control atmospheric circulation: describing the evolution of atmospheric clouds necessitates physics that spans vast spatial scales. In this work, steps are taken towards connecting the molecular physics of ice-nucleation to the growth and subsequent freezing of cloud droplets in convective cumulus clouds. Motivated by experimental evidence of ice nucleation triggered by agitation and distortion of a water droplet surface, the first study in this dissertation uses molecular dynamics simulations to demonstrate that negative Laplace pressure from a curved water surface leads to heterogeneous ice nucleation at higher temperatures. …

Using Spectroscopy Of Diatomic Molecules To Search For Physics Beyond The Standard Model, Sean Jackson

Pomona Senior Theses

This main focus of this thesis is the use of molecular spectroscopy in the search for New Physics. Diatomic molecules offer interesting experimental opportunities in the search for physics beyond the Standard Model, including CP-violations due to the electric dipole mo- ment of the electron and other parity non-conservation effects. The work presented here concentrates mainly on the PbF molecule. Due to its large internal electric field, low sen- sitivity to external magnetic fields, and the presence of low-lying states of opposite parity in the 207PbF isotopolgue, PbF remains a compelling candidate for parity non-conservation studies. A robust global fit …

The Fluid Margin Between Physical Causal Closure And Non-Physical Causal Closure, Extended To The Neutrosophic Causal Closure Principle, Florentin Smarandache

Branch Mathematics and Statistics Faculty and Staff Publications

We plead for a fluid margin, or mixed/indeterminate buffer zone, between Physical and Non-Physical Causal Closures, and for a Neutrosophic Causal Closure Principle claiming that the chances of all physical effects are determined by their prior partially physical and partially non-physical causes.

High Energy Blue Light Induces Oxidative Stress And Retinal Cell Apoptosis, Jessica Malinsky

Capstone Showcase

Blue light (BL) is a high energy, short wavelength spanning 400 to 500 nm. Found in technological and environmental forms, BL has been shown to induce photochemical damage of the retina by reactive oxygen species (ROS) production. Excess ROS leads to oxidative stress, which disrupts retinal mitochondrial structure and function. As mitochondria amply occupy photoreceptors, they also contribute to oxidative stress due to their selectively significant absorption of BL at 400 to 500 nm. ROS generation that induces oxidative stress subsequently promotes retinal mitochondrial apoptosis. BL filtering and preventative mechanisms have been suggested to improve or repair BL-induced retinal damage, …

Optical Tweezers: Exerting Force With Light, Gabriella Seifert

Scripps Senior Theses

Photons carry momentum. When a tightly-focused beam of photons hit a particle, they transfer some of their momentum to the particle, exerting a force. Optical tweezers take advantage of this phenomenon to trap (or “tweeze”) a spherical bead just after the focus of a diverging laser beam, creating a potential well that pulls in beads. In this thesis, I predict the force exerted on trapped beads and measure the actual force using an optical tweezers setup that I built. To predict the force, I follow the path of all possible rays from a diverging beam incident on a spherical bead …

Effect Of Decorating Super Paramagnetic Iron Oxide Nanoparticles With Silver Nanoparticles On Their Magneto-Photo Thermal Heating Efficiency, Anthony Joseph Afful

All Graduate Theses, Dissertations, and Other Capstone Projects

Cancer treatment is rather dangerous to the body, often involving many secondary effects, including nausea, hair loss, and weight fluctuations. The search for non-invasive, highly efficient, and targetable treatments ameliorates these issues. Super paramagnetic iron oxide nanoparticles (SPIONS) have been used for other medical purposes such as magnetic resonance imaging contrast agent and is being extensively studied as a potential candidate for many cancer therapeutic and diagnostic approaches due to its biocompatibility and superior magnetic properties. When subjected to an external alternating magnetic field SPIONS generate heat mainly due to the friction of the SPIONS against the fluid it is …

Recent Advances In Experimental Design And Data Analysis To Characterize Prokaryotic Motility, Megan M. Dubay, Jacqueline Acres, Max Riekeles, Jay Nadeau

Physics Faculty Publications and Presentations

Bacterial motility plays a key role in important cell processes such as chemotaxis and biofilm formation, but is challenging to quantify due to the small size of the individual microorganisms and the complex interplay of biological and physical factors that influence motility phenotypes. Swimming, the first type of motility described in bacteria, still remains largely unquantified. Light microscopy has enabled qualitative characterization of swimming patterns seen in different strains, such as run and tumble, run-reverse-flick, run and slow, stop and coil, and push and pull, which has allowed for elucidation of the underlying physics. However, quantifying these behaviors (e.g., identifying …

Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou

Graduate Theses/Dissertations

In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …

Computational Modeling, Simulation, And Potential Applications Of Optical Stochastic Cooling, Austin J. Dick

Graduate Research Theses & Dissertations

With the rising demand for intense particles beams, much research is being conducted in the area of particle beam cooling. One of these methods, called Stochastic Cooling (SC) (developed at CERN in the 1970's), delivered a feedback method to improve the quality and lifetime of circulating proton beams by reducing their 6D phase-space and has been widely implemented in a number of hadron machines. However, traditional stochastic cooling schemes are limited by the bandwidth of microwave frequency systems. Optical Stochastic Cooling (OSC) is a promising extension of the stochastic cooling beam cooling technique. OSC instead uses optical wavelengths which allows …

Mechanical Behavior Of Metallic Core-Shell Nanoparticles Under Compressive Loading, Phillip Tomich

Graduate Research Theses & Dissertations

Core/shell metallic nanoparticles have been shown to be a promising material type for additive manufacturing in the aerospace and automotive fields. Within additive manufacturing they will be used to accurately make an array of nanoparticles within the grains of metal matrix composites. This in turn will help to strengthen the material while remaining ductility and light weight. In this study, copper/aluminum core/shell nanoparticles are compressed under [100], [110], [111], and [112] directions to showcase their anisotropic material properties. Models of their individual counterparts were also investigated. There are no previous works showing the deformation mechanisms of copper/aluminum core/shell nanoparticles. Molecular …

Investigations Into The Electronic And Magnetic Properties Of (Crps4)N Layers, Alexandria R. Alcantara

UNF Graduate Theses and Dissertations

2D magnetic semiconductors have become of interest due to their magneto-optical effects in lower dimensionality. More specifically, CrPS4 has gained renewed attention due to its A-type AFM order and air stability prompting analysis and stability studies in its layered forms for use in scalable technology such as spintronic and optoelectronic devices. In this study, we benchmark our approach using the SCAN meta-GGA functional used without U-parameterization on bulk CrPS4 to demonstrate the accuracy of our methodology to use as tools to go beyond current CrPS4 theoretical studies. We examine the 2D electronic nature and optical spectrum for use in experimental …

Investigations Of Epitaxial Heterostructures Of Layered Iridates With Resonant X-Ray Techniques, Sujan Shrestha

Theses and Dissertations--Physics and Astronomy

In layered 5d transition metal oxides, like Sr₂IrO₄, strong spin-orbit interaction comparable to the relevant interactions such as electron correlation and crystal field splitting provides fertile ground for emergent non-trivial phenomena. Some of these phenomena include metal-insulator transition, high-temperature superconductivity, and spin-orbit Mott insulator. The ground state is governed by the spin-orbit-entangled pseudospins J_eff =1/2, which have a significant orbital contribution. Therefore, magnetic exchange interactions and anisotropies are highly susceptible to external stimuli such as strain and heterointerface. As a result, it has a significant impact on the magnetic properties of the system. However, …