Condensed Matter Physics Commons^™

Description Of Reaction And Vibrational Energetics Of Co2-Nh3interaction Using Quantum Computing Algorithms, Manh Tien Nguyen, Yueh-Lin Lee, Dominic Alfonso, Qing Shao, Yuhua Duan

Markey Cancer Center Faculty Publications

CO2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO2. Thus, it is crucial to study the chemical absorption of CO2 by amine-based solvents to better understand and optimize CO2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO2 and a simplified amine-based solvent model—NH3. Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular …

Relevancy Of Pulsed Electroacoustic Measurements For Investigating Spacecraft Charging, Zachary Gibson, J. R. Dennison

Journal Articles

The magnitude and spatial distribution of charge embedded in dielectric materials and the evolution of the charge distributions with time are paramount for the understanding and mitigation of spacecraft charging. Spacecraft materials are charged primarily by incident fluxes of low-energy electrons, with electron fluxes in the 10–50 keV range often responsible for the most deleterious arcing effects. While the pulsed electroacoustic (PEA) method can provide sensitive nondestructive measurements of the internal charge distribution in insulating materials, it has often been limited for spacecraft charging applications by typical spatial resolutions of ≤ 10 μm , with a 10- μm …

Space Environment Effects On The Electron Yields Of Ldef Thermal Control Coatings, Trace Taylor, Matthew Robertson, Heather Allen, Jr Dennison, Michael Guy, Emily Willis

Journal Articles

Space-environment-induced degradation of white thermal control coatings from the Long Duration Exposure Facility (LDEF) was investigated. Much of the exterior of the LDEF was painted with a white thermal control coating, Aeroglaze A276; and most of the interior was coated with a black thermal control coating, Aeroglaze Z306. Outgassing from these coatings and other LDEF materials interacted with the white surface when exposed to sunlight after volatile materials condensed on the LDEF surfaces. Surface morphology was characterized by optical and scanning electron microscopies. Fourier-transform infrared spectroscopy and energy-dispersive x-ray spectroscopy were used to identify the chemical compounds and elements present …

Design And Implementation Of Humidity Sensor Based On Carbon Nitride Modifed With Graphene Quantum Dots, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.

Comparison Of Pulsed Electroacoustic Measurements And Af-Numit3 Modeling Of Polymers Irradiated With Monoenergetic Electrons, Zachary Gibson, J. R. Dennison, Brian Beecken, Ryan Hoffmann

Journal Articles

Successful spacecraft design and charging mitigation techniques require precise and accurate knowledge of charge deposition profiles. This paper compares models of charge deposition and transport using a venerable deep dielectric charging code, AF-NUMIT3, with direct measurements of charge profiles via pulsed electroacoustic (PEA) measurements. Eight different simulations were performed for comparison to PEA experiments of samples irradiated by 50 or 80 keV monoenergetic electrons in vacuum and at room temperature. Two materials, polyether-ether ketone (PEEK) and polytetrafluoroethylene (PTFE), were chosen for their very low conductivities so that minimal charge migration would occur between irradiation and PEA measurements. PEEK was found …

Synthesis And Characterization Of Nonstoichiometric Cobalt/ Cnts Nano Composites For Multifunctional Applications, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.

Revealing The Three-Dimensional Magnetic Texture With Machine Learning Models, Shihua Zhao

Dissertations, Theses, and Capstone Projects

Revealing three-dimensional (3D) magnetic textures with vector field electron tomography (VFET) is essential in studying novel magnetic materials with topologically protected spin textures potentially being used in the next-generation semiconductor industry. In this dissertation, we use machine learning (ML) models to reconstruct 3D magnetic textures from electron holography (EH) data.

We can feed the EH data, a series of two-dimensional (2D) phasemaps, into a neural network (NN) architecture directly or feed the EH data into a conventional VFET and then feed the reconstructed results into a NN. Thus, perceptive NN, either a simple convolutional neural network (CNN) or Unet architecture, …

Magnetic Interactions In Open-Shell Conjugated Polymers, Michael Steelman

Dissertations

Most materials are closed shell in which every electron participates in a bond, resulting in unremarkable magnetometry signatures and functionalities. While rare, modern technologies rely on magnetic materials in which unpaired electrons are localized to inorganic atomic centers. In recent decades, a collection of organic open-shell π-conjugated molecules have shown magnetic ordering, albeit at exceedingly low temperatures; a result of weak noncovalent intermolecular interactions limiting long range electronic exchange. Thus, practically applicable sp orbital magnetism that persists at or above room temperature remains a grand challenge for chemistry and physics. Despite the wide variety of chemical structures afforded by organic …

Architecture Of Heptagonal Metallo-Macrocycles Via Embedding Metal Nodes Into Its Rigid Backbone, A.M.Shashika D. Wijerathna, He Zhao, Qiangqiang Dong, Qixia Bai, Zhiyuan Jiang, Jie Yuan, Jun Wang, Mingzhao Chen, Markus Zirnheld, Rockwell T. Li, Yuan Zhang, Yiming Li, Pingshan Wang

College of Sciences Posters

Metal-organic macrocycles have received increasing attention not only due to their versatile applications such as molecular recognition, compounds encapsulation, anti-bacteria and others, but also for their important role in the study of structure-property relationship at nano scale. However, most of the constructions utilize benzene ring as the backbone, which restricts the ligand arm angle in the range of 60, 120 and 180 degrees. Thus, the topologies of most metallo-macrocycles are limited as triangles and hexagons, and explorations of using other backbones with large angles and the construction of metallo-macrocycles with more than six edges are very rare.

In this study, …

Entropy-Driven Structural Transition From Tetragonal To Cubic Phase: High Thermoelectric Performance Of Cucdinse3 Compound, Tingting Luo, Yihao Hu, Shi Liu, Fanjie Xia, Junhao Qiu, Haoyang Peng, Keke Liu, Quansheng Guo, Xingzhong Li, Dongwang Yang, Xianli Su, Jinsong Wu, Xinfeng Tang

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cu based chalcopyrite is an important class of thermoelectric materials with excellent electronic properties, however, the thermal conductivity is relatively high due to the simple tetragonal structure with highly ordered configuration on cation sites, limiting the thermoelectric performance. Herein, we realize that the modulation of entropy via alloying CdSe achieves the structural transition from tetragonal structure with ordered configuration on cations sites in CuInSe₂ compound to cubic CuCdInSe₃. CuCdInSe₃ crystallizes in a zinc blende (ZnS) structure where Cu, Cd and In cations randomly occupy the Zn site with the occupancy fraction 1/3. This entropy driven order-disorder …

Long-Range And Chaotic Active Mixing Of Swimming Microbes In A Vortex Chain Flow, Nghia Le

Honors Theses

We present experiments studying the motion and active mixing of swimming mi- crobes in laminar, vortex-dominated fluid flows. We are testing a theory that predicts the existence of swimming invariant manifolds (SwIMs) - invisible, one-way barriers blocking the paths of self-propelled tracers in the flow in one direction. We also pro- pose that the SwIMs together can form chute structures in three-dimensional phase space that facilitate cross-vortex transport of the microbes. We also observe evidence of how these structures promote long-range transport at different non-dimensional velocities (microbe’s velocity relative to flow velocity). Long-range transport is quan- tified by measuring the …

Growth And Characterization Of Sm3hfbi5, Patrick Lambdin

Graduate Theses/Dissertations

First found experimentally in 2015, topological Weyl materials are desirable compounds that have garnered much interest due to their ability to conduct electricity via their surface states even though the bulk material is a semimetal. Such a candidate, Sm3HfBi5, was discovered with a flux crystal growth method, following an extensive amount of reaction syntheses. This thesis reports on the discovery, growth, structural characterization via x-ray diffraction, and magnetization measurements on Sm3HfBi5.

Investigating The Structural Properties Of Licoo2 Through Annealing In A Reducing Atmosphere And Characterization Using Raman Spectroscopy And X-Ray Diffraction, Mathew A. Boeser

Graduate Theses/Dissertations

The electrochemical performance of lithium cobalt oxide (LiCoO₂) cathode materials in lithium-ion batteries is strongly influenced by their structural and chemical characteristics. Annealing in a reducing atmosphere is able to modify the crystal structure of LiCoO₂ by inducing oxygen vacancies, ideally enhancing its electrochemical performance. This master's thesis presents an investigation into the effects of low to mid-range annealing temperatures in a reducing atmosphere on bulk LiCoO₂ powder, utilizing Raman spectroscopy and X-ray Diffraction (XRD).

New Features In Landyne 5 - A Software Suite For Materials Characterization And Crystallography By Transmission Electron Microscopy, Xing-Zhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

Landyne software suite (version 5) includes fifteen standalone computer programs for materials characterization and crystallography by transmission electron microscopy [1]. A launcher interface is provided for users to access all components conveniently. The purpose of this software suite is twofold: i) as research tools to analyze experimental results, ii) as teaching tools to explore the varieties of electron diffraction methods and crystallographic image processing principles.

The Landyne suite previously included: PTable, an interactive periodic table of elements; SVAT, a structural visual and analytical tool; SAED and PCED, simulation and analysis of electron diffraction (spot and ring) patterns; QSAED and QPCED, …

Structural, Electronic, And Magnetic Properties Of Cofevge-Based Compounds: Experiment And Theory, Parashu Kharel, Zachary Lehmann, Gavin Baker, Lukas Stuelke, Shah R. Valloppilly, Paul M. Shand, Pavel V. Lukashev

Nebraska Center for Materials and Nanoscience: Faculty Publications

We have carried out a combined theoretical and experimental investigation of both stoichiometric and nonstoichiometric CoFeVGe alloys. In particular, we have investigated CoFeVGe, Co_1.25Fe_0.75VGe, Co_0.75Fe_1.25VGe, and CoFe_0.75VGe bulk alloys. Our first principles calculations suggest that all four alloys show ferromagnetic order, where CoFeVGe, Co_1.25Fe_0.75VGe, and Co_0.75Fe_1.25VGe are highly spin polarized with spin polarization values of over 80%. However, the spin polarization value of CoFe_0.75VGe is only about 60%. We have synthesized all four samples using arc melting and high-vacuum annealing …

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 …

Nonequilibrium Dynamics Of Correlated Disordered Systems Under Interaction Quenches, Eric A. Dohner

Legacy Theses & Dissertations (2009 - 2024)

Correlated, disordered lattice fermion systems out of equilibrium have been understudied, at least in part for lack of tools to study them. The development of a new method, the NE-DMFT+CPA, is explicated, for investigating the properties of these systems. This method combines DMFT and the CPA using the Kadanoff-Baym-Keldysh contour-time formalism to study the dynamics of interacting disordered systems out of equilibrium. The method is detailed, then applied to the case of the Anderson-Hubbard model: first to replicate well-known equilibrium results, then to study the case of the model under the effect of an interaction quench. Here the effect of …

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 …

Structural And Magnetic Study Of Epitaxial Ni/Nio Thin Films On Various Single Crystalline Substrates Using Pulsed Laser Deposition, Md Shaihan Bin Iqbal

Graduate Theses/Dissertations

In recent years, magnetic thin films have gained significant attention in the field of spintronics, which is a branch of electronics that utilizes the spin of electrons in addition to their charge. The applications in the spintronic sector rely on the magnetic properties of the thin films. To address this, Ni (FM)/NiO (AFM) thin films on single crystalline sapphire and lithium niobate substrates have been investigated using pulsed laser deposition (PLD) technique prior to hydrogen-reduction annealing to explore new functionalities. The manufactured films were extensively analyzed by state-of-the-art characterization techniques. X-ray diffraction (XRD) and X-ray reflectometry (XRR) show the structural …

Synthesis And Characterization Of Cage-Structured Compounds As Promising Thermoelectric Materials, Nusrat Yasmin

Graduate Theses/Dissertations

The development of new thermoelectric materials is of great interest due to their potential to convert waste heat into useful electricity. The primary problem is that the physical factors that are utilized to assess thermoelectric performance conflict with one another. One way to improve their performance is to hinder the lattice from conducting heat through its vibrations while maintaining the heat conduction via the electrons. This can be done by creating cage structures that allow heavy atoms to jiggle. In this study, we report the synthesis of a group of such compounds, using the self-flux method. They all belong to …