Materials Science and Engineering Commons^™

Local Charge Distortion Due To Cr In Ni-Based Concentrated Alloys, Jacob Fischer

All Theses

Due to the presence of multiple elements consisting of a range of atomic radii, local lattice distortion (LLD) is commonly observed in concentrated (and high entropy) alloys. However, since these elements also have diverse electronegativities, recent works show that atoms can have a range of atomic charges. In this work, using density functional theory (DFT), we investigate electronic charge distribution in face centered cubic (FCC) Ni-based alloys and find significant charge-density distortion in HEAs. Specifically, Cr atoms have large charge density distortion that results in a wide range of bond lengths, atomic charges, and electronic density of states in Cr-containing …

Predicting The Ductility Of Tungsten Based Bcc Refractory High Entropy Alloys: A Computational Science Driven Study, Akshay Korpe

All Theses

Bcc refractory high entropy alloys (HEAs) are a relatively new category of metallic alloys that promise excellent irradiation resistance and strength retention at high temperatures but exhibit brittle behavior at room temperatures limiting their formability. Understanding the deformation mechanisms and predicting their ductility at room temperature is a topic of interest in contemporary research.

In this work, multiple independent ductility criteria for quantifying the ductility of these HEAs were studied, calculated and compared using Density Functional Theory (DFT) calculations and continuum mechanics frameworks. These ductility parameters were calculated for various W-Ta-Cr-V alloys and the trends were analyzed for each criteria …

Proportioning And Performance Of Ultra-High Performance Concrete (Uhpc) For High Friction Surface Treatment (Hfst) On Pavement And Bridge Decks, Adam R. Biehl

All Theses

High Friction Surface Treatment (HFST) is a roadway remediation technique used to improve pavement’s coefficient of friction, to enhance roadway safety. The application of HFSTs has repeatedly demonstrated the ability to significantly reduce crashes in both wet and dry conditions. Typically, epoxy-resins and calcined bauxite aggregate are used in HFST treatment. However, the high material costs and scarcity of calcined bauxite render this form of HFST an expensive and limited option for roadway rehabilitation. Therefore, the identification of alternative binders and HFST aggregates is needed for broad scale implementation. One potential alternative binder is Ultra-High-Performance Concrete (UHPC), a specialty cementitious …

High-Quality Single-Step Growth Of Gaas On C-Plane Sapphire By Molecular Beam, Emmanuel Wangila, Calbi Gunder, Mohammad Zamani-Alavijeh, Fernando Maia De Oliveira, Serhii Kryvyi, Aida Sheibani, Yuriy I. Mazur, Shui-Qing Yu, Gregory J. Salamo

Physics Faculty Publications and Presentations

We report on the growth of high-quality GaAs semiconductor materials on an AlAs/sapphire substrate by molecular beam epitaxy. The growth of GaAs on sapphire centers on a new single-step growth technique that produces higher-quality material than a previously reported multi-step growth method. Omega-2theta scans confirmed the GaAs (111) orientation. Samples grown at 700 °C displayed the highest crystal quality with minimal defects and strain, evidenced by narrow FWHM values of the rocking curve. By varying the As/Ga flux ratio and the growth temperature, we significantly improved the quality of the GaAs layer on sapphire, as compared to that obtained in …

Enhancing Thermal Stability Of Perovskite Solar Cells Through Thermal Transition And Thin Film Crystallization Engineering Of Polymeric Hole Transport Layers, Sanggyun Kim, Sina Sabury, Carlo A. R. Perini, Tareq Hossain, Augustine O. Yusuf, Xiangyu Xiao, Ruipeng Li, Kenneth R. Graham, John R. Reynolds, Juan-Pablo Correa-Baena

Chemical and Materials Engineering Faculty Publications

Organic hole transport layers (HTLs) have been known to be susceptible to thermal stress, leading to poor long- term stability in perovskite solar cells (PSCs). We synthesized three 2,5-dialkoxy-substituted, 1,4-bis(2-thienyl)phenylene (TPT)-based conjugated polymers (CPs) linked with thiophene-based (thiophene (T) and thienothiophene (TT)) comonomers and evaluated them as HTLs in n-i-p PSCs. TPT-T (MB/C6), which has branched 2- methylbutyl and linear hexyl (MB/C6) side chains, emerged as a promising HTL candidate, enabling power conversion efficiencies (PCEs) greater than 15%. In addition, PSCs with this HTL showed an improvement in long-term stability at elevated temperatures of 65 °C when compared to those …

Synthesis Of Selenium Nanostructures: Rods, Wires, And Fibers By Pulsed Laser Ablation In Liquids, Atikur Rahman

Theses and Dissertations

Selenium is a semiconductor that has a bulk energy bandgap of 1.74 eV, is mainly used in sensors, rectifiers, and advanced photovoltaic solar cells. Selenium is very important for the energy applications and was declared as Energy Critical Element (ECE) by the American Physical Society (APS) and the Materials Research Society (MRS). The goal of this dissertation was to control the growth of selenium when being irradiated by a pulsed laser within a liquid environment. The method called “Pulsed Laser Ablation in Liquids” is a green synthesis technique that allows for ligand-free nanoparticles to be created. Laser repetition rates were …

Laser Surface Processing For Enhanced Adhesion Between Diamond Coatings And Metallic Substrates, Zhipeng Wu

Dissertations and Doctoral Documents, University of Nebraska-Lincoln, 2023–

Application of diamond coatings on metallic substrates endows them with superior properties including mechanical robustness and corrosion resistance, rendering them highly adaptable for diverse industrial and technological applications. However, significant disparities in coefficients of thermal expansion (CTEs) result in pronounced residual stress near interfaces, causing delamination of the diamond coatings. Moreover, weak chemical bonding poses a concern for certain metallic substrates. Laser surface processing techniques show promise in enhancing adhesion by altering stress distribution and improving mechanical bonding. Therefore, the research efforts described in this dissertation mainly focus on femtosecond (fs) laser texturing for enhanced adhesion of diamond coatings on …

Resolving The Size And Charge Of Small Particles: A Predictive Model Of Nanopore Mechanics, Samuel Bearden, Tigran M. Abramyan, Dmitry Gil, Jessica Johnson, Anton Murashko, Sergei Makaev, David Mai, Alexander Baranchikov, Vladimir Ivanov, Vladimir Reukov, Guigen Zhang

Chemical and Materials Engineering Faculty Publications

The movement of small particles and molecules through nanopore membranes is widespread and has far-reaching implications. Consequently, the development of mathematical models is essential for understanding these processes on a micro level, leading to deeper insights. In this endeavor, we suggested a model based on a set of empirical equations to predict the transport of substances through a solid-state nanopore and the associated signals generated during their translocation. This model establishes analytical relationships between the ionic current and electrical double-layer potential observed during analyte translocation and their size, charge, and mobility in an electrolyte solution. This framework allows for rapid …

Fabrication And Characterization Of Lignin–Pva Hydrogels With Tunable Network Structures, Keturah Bethel

All Dissertations

The ability to directly tune the crosslinked network structure of hydrogels is crucial for their functional applications in various fields, such as water filtration, protein separation, and tissue engineering. By controlling the crosslink density of the hydrogel, one can directly alter the mesh size – i.e., the end-to-end distance between crosslink junctions – and, subsequently, directly alter the hydrogel performance. This work discusses the fabrication and characterization of soft composites containing the biopolymer, lignin, are discussed. Precisely, physically-crosslinked composite lignin–Poly(vinyl alcohol) (PVA) hydrogels were fabricated via the freeze-thaw (F/T) pathway, whereby solutions containing specified amounts of PVA and lignin were …

Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du

Electrical Engineering and Computer Science Faculty Publications and Presentations

Sapphire has various applications in photonics due to its broadband transparency, high-contrast index, and chemical and physical stability. Photonics integration on the sapphire platform has been proposed, along with potentially high-performance lasers made of group III–V materials. In parallel with developing active devices for photonics integration applications, in this work, silicon nitride optical waveguides on a sapphire substrate were analyzed using the commercial software Comsol Multiphysics in a spectral window of 800~2400 nm, covering the operating wavelengths of III–V lasers, which could be monolithically or hybridly integrated on the same substrate. A high confinement factor of ~90% near the single-mode …

Fracture Behavior Of Advanced Technology Fuels For Light Water Reactors, Adrianna Elizabeth Lupercio

Boise State University Theses and Dissertations

The urgent call to decarbonize our energy infrastructure, while simultaneously meeting growing energy demands, highlights the need for reliable and clean energy sources. Nuclear energy provides reliable, high-capacity baseload electricity while emitting zero greenhouse gases during operation. To adequately meet the energy needs of society and maintain economic viability, it is crucial to enhance the efficiency of nuclear power plant (NPP) operations. Upgrades to NPP operations require near-term Advanced technology Fuel (ATF), such as doped UO₂, to increase the flexibility of plant operation without impacting safety margins.

Small additions of metal oxide dopants are reported to increase grain …

Development Of Recyclable Materials For Industry Using Non-Petroleum Feedstocks, Terra M. Miller-Cassman

Boise State University Theses and Dissertations

Plastics have been an essential material for over 80 years, yet we have been unable to manage the accumulation of plastic waste. The available solutions for recycling or replacing plastics are complex and costly, and thus have not kept pace with the increasing quantity of plastic waste. This dissertation describes a comprehensive, materials design approach to solving the current and future challenges of plastic waste. Recycled and recyclable materials are developed using commercial feedstocks to reduce barriers for industry adoption. In one approach, unsorted municipal solid waste is compressed at a low temperature and pressure to form rigid composite boards …

In Situ Shear Exfoliation Of Layered Materials And Fabrication Of Multifunctional Composites, Md Abdur Rahman Bin Abdus Salam

Theses and Dissertations

To harness the extraordinary properties of 2D nanomaterials across a range of applications, including but not limited to device fabrication (such as sensors and transistors), energy storage and conversion systems (like batteries and solar cells), as well as biomedical applications (such as drug delivery and tissue engineering), it is imperative to achieve proper synthesis to single-layer form from bulk material, ensuring defect-free synthesis. Recognizing the criticality of defect-free synthesis and high yield for nanocomposite production, our focus centered on developing a facile, contamination-free, single-step, in situ shear exfoliation process for bulk materials (such as graphene, hBN, coal) within elastomers, which …

Attachment Of 2d Nanomaterials Onto 1d Nanofibers For Separation And Sensing Applications, Elmmer A. Vera Alvarado

Theses and Dissertations

Advancing materials for water desalination and sensing is essential for tackling global issues related to clean water and efficient energy systems. This thesis explores the application of 2D nanomaterials, specifically graphene, integrated onto 1D poly(vinylidene fluoride) (PVDF) nanofibers to enhance their effectiveness in these areas. Utilizing innovative techniques such as Forcespinning® and plasma treatment, PVDF nanofibers were strengthened with graphene and conductive polymers like poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT: PSS). The research involved thorough assessments using direct contact membrane distillation (DCMD) systems, oil-water separation tests, and various mechanical and electromechanical evaluations. Heat-pressed membranes consistently delivered a flux of 0.33 kg/m²/hr and …

Exploring The Synthesis Of Biobased And Chemically Recyclable Polysulfone Using Imine Chemistry, Vitasta Jain

All Dissertations

Plastic waste poses a major problem because of the chemical stability of these materials, leading to their accumulation in the environment and the leaching of toxic chemicals during their slow decomposition. Additionally, the use of depleting petroleum reserves for synthesis has made for an unsustainable production and risks due to use of chemicals hazardous to the environment and the individuals exposed to it.

To address these concerns, researchers have explored biobased feedstock and incorporating chemical recycling capabilities for a closed loop, sustainable process. One promising feedstock is lignin with its abundant functional groups that can be modified and utilized to …

Molecular Beam Epitaxy Of Gesn On Iii-V Substrates For Photonic Applications, Calbi Gunder

Graduate Theses and Dissertations

This dissertation explores the advancement of germanium-tin (GeSn) as a tuneable narrow bandgap material, crucial for the development of high-efficiency photodetectors and laser devices in near- and mid-infrared technologies. We investigate the synthesis challenges, particularly the lattice mismatch between GeSn alloys and substrates, which significantly affects their crystalline and optical qualities. Through molecular beam epitaxy, we examine the growth of Ge and GeSn on GaAs (001) substrates, employing Ge/GaAs and Ge/AlAs buffer layers to investigate these challenges. Our findings, characterized by X-ray diffraction, atomic force microscopy, reflection high-energy electron diffraction, and photoluminescence, demonstrate the production of high-quality Ge layers, achieving …

Computational Studies Of Charge-Transfer Mechanisms In Electrochemical Materials, Mohammadreza Reza Nouri

Dissertations and Doctoral Documents, University of Nebraska-Lincoln, 2023–

Understanding charge transfer mechanisms of electrochemical reactions is critical for advancing a variety of electrochemical energy storage and conversion technologies such as water electrolysis, fuel cells, and batteries. (Photo)electrochemical water splitting, involving OER at the anode and HER at the cathode, presents an environmentally friendly way of storing energy from renewable sources in the form of pure hydrogen. While a lot of emphasis has been placed on developing highly active and stable OER/HER catalysts, our atomic-level understanding of the underlying charge transfer mechanisms falls behind.

In this work, we focus on both Faradaic and non-Faradaic charge transfer mechanisms to investigate …

On The Structure, Energy, And Segregation Behavior Of Grain Boundaries In Metallic Systems, Yasir Mahmood

All Dissertations

Nearly all structural metallic systems are multi-component polycrystalline aggregates; their microstructures are composed of crystalline grains that are internally joined at grain boundaries (GBs). This thesis focuses on GB structure, energy, and chemistry, as these greatly influence many material properties and processes, including boundary dynamics during processing treatments or under operating conditions.

Using atomistic simulations, we examine the impact of metastable GB structures on solute segregation. A wide range of GB geometries and metastable structures are used in our study. The Al-Mg alloy is used because it is of interest for light weighting. The atomistic simulation results are used to …

Physics-Informed Machine Learning Methods For Inverse Design Of Multi-Phase Materials With Targeted Mechanical Properties, Yunpeng Wu

All Dissertations

Advances in machine learning algorithms and applications have significantly enhanced engineering inverse design capabilities. This work focuses on the machine learning-based inverse design of material microstructures with targeted linear and nonlinear mechanical properties. It involves developing and applying predictive and generative physics-informed neural networks for both 2D and 3D multiphase materials.

The first investigation aims to develop a machine learning method for the inverse design of 2D multiphase materials, particularly porous materials. We first develop machine learning methods to understand the implicit relationship between a material's microstructure and its mechanical behavior. Specifically, we use ResNet-based models to predict the elastic …

Development And Processing Of Shape Memory Polymer Composites (Smpcs) For Application In Structural Robotics And Robotic Sensors., Kavish Sudan

Electronic Theses and Dissertations

Shape Memory Polymers (SMPs) have attracted significant attention since their introduction in the 1980s due to their remarkable ability to regain their original shape from a temporarily deformed state when exposed to an external stimulus, typically heat. This shape memory effect, driven by thermal transitions such as the glass transition temperature (T_g) or melting temperature (T_m), has made SMPs highly attractive for applications in soft robotics, aerospace, and biomedical devices. However, SMPs face challenges such as limited mechanical strength, thermal stability, and electrical conductivity, which hinder their broader adoption in advanced applications. To address these challenges, …

Investigating Near-Field Radiative Heat Transfer With Titanium Carbide Mxenes And Slanted Columnar Thin Films, Sean Luke Murray

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

This work investigates the mechanisms to manipulate and control the magnitudes of Near-Field Radiative Heat Transfer (NFRHT) using two-dimensional materials and nanostructured surfaces. NFRHT occurs when the geometrical features of the radiating objects or the separation distance between interacting bodies are comparable to or lower than the characteristic thermal radiation wavelength. NFRHT magnitudes surpass the blackbody limit by several orders of magnitude due to phenomena such as photon tunneling and new modes of energy transfer, like surface polaritons. Therefore, it is crucial to understand how material properties and surface nanostructures affect NFRHT.

The first part of this work examines the …

Development Of Iii-V And Iv Epitaxy On Sapphire Technology, Emmanuel Wangila

Graduate Theses and Dissertations

This research presents comprehensive insights into the epitaxial growth of germanium (Ge) on c-plane sapphire substrates using molecular beam epitaxy (MBE). The direct growth of Ge on sapphire typically yields three-dimensional (3D) Ge islands with diverse growth directions, multiple primary domains, and twinned crystals. However, incorporating a thin AlAs nucleation layer proves instrumental in enhancing surface and material quality. With a 10 nm AlAs layer, the achieved surface exhibits improved characteristics, including a smoother surface, single epitaxial orientation, sharper rocking curve, and a single domain. This study surpasses previous works by achieving a single primary domain and reducing twinning. Furthermore, …

Computational Alchemy: Pioneering Spintronic, Thermoelectric, And Optoelectronic Materials Design Through First-Principles Calculations And Machine Learning, Eesha Sanjay Andharia

Graduate Theses and Dissertations

Intelligent materials discovery and design plays a pivotal role in advancement of spintronics, optoelectronics and thermoelectric devices and technology. In this study, we investigate three types of materials using first principles calculations. First, the structural, electronic, and magnetic properties of CrTiCoZ (Z = Al, Si) equiatomic quaternary Heusler alloys were investigated. CrTiCoAl compound was found to exhibit a half metallic ferromagnetic structure and Curie temperature above room temperature, which makes it an ideal candidate for magnetic tunnel junction, the basic building block of Spintronic devices. Second, we use Green’s function to obtain the finite temperature phonons by including quartic anharmonicity …

Engineering The Properties Of Magnesium Aluminate Spinel Through Solid State Solutions, Robin Conner

All Theses

Magnesium aluminate spinel solid state solutions were prepared via the coprecipitation method and calcined in air at 900 °C for 2 h. The manipulation of magnesium aluminate spinel’s microstructure through the formation of solid state solutions with zinc and gadolinium substituting for magnesium was investigated. X-ray diffraction (XRD) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR FTIR) confirmed the formation of a single cubic crystalline phase. The luminescence properties were investigated by radioluminescence (RL) under X-ray excitation and thermoluminescence (TL) measurements. In the case of zinc, all concentrations of the solid state solutions showed similar luminescence with bands at …

Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon

Chemical Engineering Faculty Publications and Presentations

In this study, we investigate the influence of cold-plasma-induced enhanced performance and efficiency of SAPO-34 membranes in the separation of CO₂ and CH₄ mixtures. Placing the herein presented research in a broader context, we aim to address the question of whether cold plasma can significantly impact the membrane performance. We subjected SAPO-34 membranes to plasma mild disturbances and analyzed their performance in separating CO₂ and CH₄. Our findings reveal a notable enhancement in membrane efficiency and sustained performance when exposed to cold plasma. The pulsed plasma separation displayed improved structural integrity, and the experimental results …

Chemical Recycling Of Bio-Based Polyurethane Foams: Evaluating Bio-Based Glycols In Comparison To Petroleum-Based Glycols, Anirudh Thorbole Mr.

Electronic Theses & Dissertations

The paradigm shift towards bio-based polyurethane foams (bio-PUF) has significantly increased post-consumer waste. To address this issue, this research represents a novel approach to enhance sustainable development in the recycling industry by replacing traditional petroleum-based glycols with sustainable bio-based alternatives. This study explores the glycolysis of bio-PUF using bio-based SG-522 glycol and polyethylene glycol (PEG) for comparison. The findings from this research as outlined, reveal no significant differences in depolymerization time between the two glycols, achieving proper depolymerization and high recovery yields of over 95% after solvent purification. Comprehensive FT-IR and NMR analyses confirmed the successful degradation of bio-PUF and …

Experimental Study On Reinforced Geogrid Of Construction And Demolition Wastes Based On Dic Technology, Tan Peng, Li Hai, Li Xiangping, Gu Fan, Zhang Junhui

Journal of China & Foreign Highway

In order to control differential settlement caused by new and old subgrade connections after expressway reconstruction and expansion，this paper proposed a layered treatment structure for the loose steps of the old road with high water content.A layer of construction and demolition waste was laid on the step surface of the old road to wrap the geogrid.The treatment effect was compared with that of sand wrapping and lime mixing，and the digital speckle correlation （DIC） was used to observe the reinforced influence zone，so as to determine the thickness of different layers of the subgrade wrapped by construction and demolition wastes.The particle rotation …

Experimental Study On Effect Of Temperature On Bound Water Adsorption And Deformation Of High Liquid Limit Soil, Zi Yinhui, Shen Xuning, Zhang Hao, Zhang Rui, Li Lu

Journal of China & Foreign Highway

In order to study the effect of temperature change on the bound water content adsorbed by high liquid limit clay and the deformation law of high liquid limit clay embankment，the high liquid limit clay in Hainan Province was selected as the primary research object and compared with the low liquid limit sand in Hunan Province.The effect of temperature on the bound water content adsorbed by high liquid limit clay was explored through a nuclear magnetic resonance test.In addition，the effect of temperature on the deformation of high liquid limit clay embankments was analyzed through the consolidation test with a temperature-controlled consolidometer.The …

Stability Analysis Of High And Steep Bank Slope Of Jinqi Bridge On Wudang‑Changshun Expressway, Wang Hao

Journal of China & Foreign Highway

Jinqi Bridge on the Wudang-Changshun Expressway in Guizhou Province crosses the Maotiao River，and the poor geological conditions such as dangerous rock mass and collapse accumulation body on the bank slope of the river are relatively developed，which seriously affects the site selection and safety of the bridge.In order to study the stability of the high and steep bank slope of the bridge，the paper explored the main poor geological conditions in the bridge site through a comprehensive air-ground investigation.By means of numerical analysis，InSAR，and other technologies，the movement range of dangerous rock mass on the bank slope was quantitatively evaluated.The stability and deformation mode …

Shear Creep Characteristics And Slope Deformation Mechanism Of Siliceous Slate, Li Jian, Yan Liangyu, Yu Kaibing, Li Ming, Yan Tingzhou, Zhao Jia

Journal of China & Foreign Highway

To study the time-dependent creep effect of siliceous slate and the deformation and failure evolution law of high slope，in this paper，the shear creep test of indoor rock mass was carried out to plot the shear creep duration curves of siliceous slate under different normal stresses，the shear displacement-time curve，and the creep rate-time curve under different normal loads and shear loads.The average creep rate and shear load variation of siliceous slate were studied，and the long-term shear strength parameters of siliceous slate were determined by the steady-state creep rate method.The results show that in the creep test，the sensitivity of cohesion is significantly greater …