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Articles 1 - 30 of 260
Full-Text Articles in Mechanical Engineering
Machine Learning For Predictive Energy And Emissions Modeling Of Vehicles And Power Grids In The United States, S M Tanvir Faysal Alam Chowdhoury
Machine Learning For Predictive Energy And Emissions Modeling Of Vehicles And Power Grids In The United States, S M Tanvir Faysal Alam Chowdhoury
Dissertations
The environmental benefits of electric vehicle (EV) adoption depend on more than replacing internal combustion engine vehicles with electric powertrains. EV adoption reshapes electricity demand, interacts with regional generation mixes, and influences travel behavior and congestion, creating a coupled transportation-energy system in which vehicle and power-plant emissions must be evaluated together. This dissertation develops machine-learning frameworks for predicting energy consumption and emissions from vehicles and power grids under rising EV adoption. The first component forecasts grid emissions from EV charging. Using simulation data from NREL's Cambium database, a Prophet-based time-series framework predicts carbon dioxide, nitrous oxide, and methane emission rates …
A Generative Ai-Driven Computational Framework For Industry-Scale Discovery Of Novel Battery Materials, Joy Datta
Dissertations
The growing demand for sustainable, high-energy-density electrochemical storage has motivated the exploration of multivalent-ion batteries based on earth-abundant elements such as aluminum, calcium, magnesium, and zinc. While multivalent charge carriers offer higher theoretical energy density than lithium, their practical deployment is hindered by sluggish ion transport, strong ion-host interactions, and structural degradation of electrode materials. Identifying host materials that can reversibly accommodate multivalent ions while maintaining structural integrity remains a fundamental challenge. The dissertation develops a scalable, end-to-end computational framework that integrates density functional theory (DFT), machine learning (ML), and generative artificial intelligence (GenAI) to accelerate the discovery of next-generation …
Toward Learning-Based Reconstruction And Part Decomposition Of Man-Made 3d Geometry: Neural Implicit Representations And Scalable Supervision, Shen Fan
Dissertations
Digital three-dimensional (3D) models are central to engineering design, analysis, and manufacturing, but learning pipelines for man-made geometry often operate on sampled carriers that do not preserve all of the structure present in exact CAD representations. This dissertation studies learning-based reconstruction and part decomposition for structured man-made 3D geometry, from general object benchmarks to CAD-derived datasets, with a focus on neural implicit representations trained from signed-distance samples, point clouds, and tessellated meshes. The goal is to make these models more accurate, more part-aware, and more consistently supervised.
First, signed distance function (SDF) reconstruction with implicit neural representations is improved through …
Entropic Forces Near Fluctuating Surfaces, Rubayet Hassan
Entropic Forces Near Fluctuating Surfaces, Rubayet Hassan
Dissertations
Nanoscale structures are inherently dynamic due to persistent thermal fluctuations. Even in solid materials, these random deformations, driven by ambient thermal energy, can become significant when their characteristic scale approaches that of the structure itself and strongly influence their overall mechanical behavior. Examples of such structures include crystalline membranes, appearing in diverse forms such as nanotubes, nanoribbons, and kirigami/origami structures. Similarly, biological nanostructures, including lipid membranes, microtubules, actin filaments, and DNA, exhibit extreme flexibility and responsiveness due to their low bending rigidity. Numerous physiological processes are intrinsically linked to these thermal fluctuations, including exocytosis and endocytosis, membrane fusion, pore formation, …
Material Degradation And Analysis Of N-Doped Graphene/Mof Nanocatalysts For Orr In Electrochemical Energy Systems, Niladri Talukder
Material Degradation And Analysis Of N-Doped Graphene/Mof Nanocatalysts For Orr In Electrochemical Energy Systems, Niladri Talukder
Dissertations
The development of advanced electrochemical energy conversion and storage systems is crucial for achieving sustainable energy security. As alternatives to precious metal-based catalysts in electrochemical systems, especially for the oxygen reduction reaction (ORR), Nitrogen-doped Graphene with Metal-organic Frameworks (N-G/MOF) nanocatalysts have shown exceptional promise in recent years. This research advances the understanding of N-G/MOF nanocatalysts by systematically examining their structural features, degradation traits, correlated performance losses, and other aspects related to catalytic activities.
First, nitrogen-doped graphene (N-G) nanocatalysts were thoroughly investigated, resolving their physical properties, the influence of synthesis parameters, molecular-level material structures, and chemical and electronic structural details of …
Development And Characterization Of Sustainable Aluminum Metal Matrix Composites With Date Palm Agro-Residues As Reinforcement, Ansar Kareem
Development And Characterization Of Sustainable Aluminum Metal Matrix Composites With Date Palm Agro-Residues As Reinforcement, Ansar Kareem
Dissertations
Aluminum Matrix Composites (AMCs) are extensively used in various industrial applications owing to their exceptional mechanical, material, and tribological properties. This led to the development of AMCs with every possible aluminum alloy as matrix, incorporated with various reinforcement materials to achieve desired material properties. There has been an increasing trend in the utilization of agricultural and industrial waste products as reinforcement material in AMCs. Date palm trees produce huge quantity of agricultural waste in different forms. Usually, these wastes are burned or disposed of in landfills which cause environmental pollution. Date palm agro-wastes can be incinerated to produce date palm …
Jet Impingement And Vortex/Swirl Cooling Of Different Inlet And Outlet Geometrical Configurations For Turbine Blade Leading Edge Cooling, Irfan Ahmad Sheikh
Jet Impingement And Vortex/Swirl Cooling Of Different Inlet And Outlet Geometrical Configurations For Turbine Blade Leading Edge Cooling, Irfan Ahmad Sheikh
Dissertations
Gas turbine blades operate in extreme environments, exposed directly to high-temperature combustion gases that cause severe thermal stresses, weaken material integrity, and may lead to structural failure. Proper cooling is crucial to lower blade temperatures, reduce thermal stresses, prevent failure, and improve overall engine efficiency. This work presents a detailed numerical study of various cooling configurations by applying two advanced leading-edge cooling methods, jet impingement and swirl cooling, across different inlet mass flow rates and jet Reynolds numbers (Rej) ranging from 1,000 to 20,000 to evaluate their cooling performance.
Several advanced leading-edge cooling configurations are proposed and compared with the …
Optimizing Hip And Knee Assistance For Walking And Sit-To-Stand Transitions: An Intrinsic Muscle Mechanics Based Predictive Approach, Neethan Ratnakumar
Optimizing Hip And Knee Assistance For Walking And Sit-To-Stand Transitions: An Intrinsic Muscle Mechanics Based Predictive Approach, Neethan Ratnakumar
Dissertations
As the global population ages, the demand for wearable assistive technologies continues to rise, driven by their potential to enhance mobility and independence in older adults. Effectively designed controllers for lower-limb exoskeletons to assist sit-to-stand (STS) and walking are crucial for delivering efficient, safe, and comfortable assistance during daily activities. Traditionally, controller optimization involves biomechanical modeling and user-specific customization. Musculoskeletal simulations play a central role in this process by providing insights into human-exoskeleton interaction dynamics, thereby informing and refining control strategies.
This work presents a simulation-driven approach for developing exoskeleton controllers for walking and STS using two distinct methods: optimal …
Joint Kinematics And Kinetics During Vertical Jump Landings With Progressively Increasing External Loads, Darcie L. Yount
Joint Kinematics And Kinetics During Vertical Jump Landings With Progressively Increasing External Loads, Darcie L. Yount
Dissertations
This study examined sagittal and frontal plane kinematics and kinetics during countermovement jump (CMJ) landings performed with either a traditional barbell (BB) or a hexagonal bar (HEX) across increasing submaximal loads in recreationally active males. Generally, hip and knee flexion angles and joint mean angular velocities decreased as loads increased. Hip extension and knee flexion moments increased as load increased up to 20 kg, at which point these values decreased. Performing the CMJ with the HEX exhibited increased frontal plane stability compared with the BB group. Additionally, the BB group exhibited stiffer landing strategies, with decreased sagittal plane joint angles …
Enhanced Point Cloud Generation From A Novel 360° Underwater Lidar, Olagoke E. Daramola
Enhanced Point Cloud Generation From A Novel 360° Underwater Lidar, Olagoke E. Daramola
Dissertations
This dissertation presents novel algorithms to improve the mapping capabilities of a 360-degree underwater Pulsed Laser Line Scanner LiDAR (PLLS-360°). Due to its 360° field-of-view (FOV), the PLLS-360° is a compact full-waveform omnidirectional imager suitable for seafloor mapping, underwater asset inspection, object detection, ice-sheet mapping, and construction progress monitoring. The proposed methodology includes an improved waveform fitting technique for saturated waveform recovery, detection array response correction, radiometric corrections, and fusion of LiDAR and sonar bathymetric datasets. The first part of this dissertation assesses the LiDAR’s performance and describes how the data for this unique 360° FOV architecture is processed. The …
Experimental And Computational Study Of Slow Crack Growth Of High Density Polyethylene, Abdulla Fawzi Almomani
Experimental And Computational Study Of Slow Crack Growth Of High Density Polyethylene, Abdulla Fawzi Almomani
Dissertations
This dissertation investigates the slow crack growth (SCG) behavior of High-Density Polyethylene (HDPE) under various mechanical and environmental conditions. The study combines experimental analysis and computational modeling to enhance the understanding of SCG mechanisms in HDPE, particularly in pressurized pipes and under the exposure to hydrocarbons. A novel Crack Layer (CL) theory-based SCG model is developed and validated through experimental data, offering a predictive framework for HDPE failure assessment. The main objective of this dissertation is to quantify and model the viscoelastic-viscoplastic behavior of HDPE under monotonic and cyclic loading conditions while addressing SCG kinetics in structural applications. The study …
Design And Development Of Hip Implants For Longevity Through Integrating Advanced Groove Structures And Additive Manufacturing, Asarudheen Abdudeen
Design And Development Of Hip Implants For Longevity Through Integrating Advanced Groove Structures And Additive Manufacturing, Asarudheen Abdudeen
Dissertations
This doctoral research concerns the design and optimization of hip implants (HIs) to enhance performance, durability, and improve patient outcomes by addressing the key issues of wear, deformation, and stress distribution. Innovative surface groove designs have been introduced to both a solid and a hollow femoral head with the aim of reducing friction and wear. The addition of grooves, with both a hemispherical and rectangular cross-section, onto the femoral head reduced friction, as debris produced by the inner liner was trapped within the grooves, significantly reducing adhesive wear. A numerical simulation study compared the effects of surface modifications both grooves …
Gas-Generating Reactive Materials: Design, Evaluation And Effect Of Morphology On Their Ignition And Combustion, Purvam Mehulkumar Gandhi
Gas-Generating Reactive Materials: Design, Evaluation And Effect Of Morphology On Their Ignition And Combustion, Purvam Mehulkumar Gandhi
Dissertations
This work investigates optimizing gas-generating reactive materials, focusing on particle morphology's effect on ignition and combustion behavior. Metal-based gas-generating energetic materials (EMs) are promising alternatives to replace traditional CHNO compounds. Design of advanced metal-based EMs requires consistent ways of evaluating how their characteristics affect their ignition and combustion. Many relevant evaluation approaches exist; however, the results may be difficult to compare directly across different studies. Commonly, experimentalists ignite metal-based EMs in enclosed chambers and report pressures, P. However, direct comparison of these pressures is hindered by variations in the chamber volume, V, and the EM mass, m. To standardize the …
Electrified Membrane For Water Treatment And Resource Recovery: Advancing Multiscale Strategies In Gas-Involving Reactions, Jianan Gao
Dissertations
Multifunctional, modular, and scalable water treatment technologies that operate without chemical additives are crucial for addressing global water pollution challenges. While traditional membrane-based separation processes are crucial for ensuring clean water supplies, they primarily focus on pollutant removal rather than on the upcycling of pollutants into valuable resources. Electrified membrane filtration presents a robust alternative, utilizing minimal or no chemical additives and harnessing electrical power to directly reduce contaminants or produce reactive oxidants or reductants on-site.
This dissertation is dedicated to the development of innovative electrochemically reactive membranes designed to address three major challenges: (1) the engineering of electrocatalysts with …
Collision Dynamics Of Compound Droplets In Microchannels: A Combined Numerical And Data-Driven Study, S M Abdullah Al Mamun
Collision Dynamics Of Compound Droplets In Microchannels: A Combined Numerical And Data-Driven Study, S M Abdullah Al Mamun
Dissertations
Understanding and predicting the hydrodynamic interactions of micron-scale droplets is crucial in a wide range of industrial and real-life applications, including microfluidics, pharmaceutics, drug delivery, food science, and enhanced oil recovery. These multi-phase and multi-scale phenomena are further complicated by the presence of core droplets of an immiscible fluid within shell droplets, known as compound droplets. The collisions and interactions of droplets in emulsions are influenced by various physical and geometric parameters, leading to distinct rheological and dynamic responses. This research employs numerical methods for a systematic parametric study of both simple and compound droplet pair collisions under confined shear …
Interaction Of Particles With Plasma And Shock Produced By Pulsed Spark Discharge, Shomik Mukhopadhyay
Interaction Of Particles With Plasma And Shock Produced By Pulsed Spark Discharge, Shomik Mukhopadhyay
Dissertations
Interactions of powders with high-temperature plasma and shockwaves occur in diverse scenarios, such as nuclear blasts, accidental industrial dust explosions, solid propellant combustion in explosive charges and when removing contaminants from surfaces. Electrostatic Discharge (ESD), known for generating shock and plasma, is a promising lab-scale technique for simulating these interactions. Studies with ESD involved placing powders near a spark-producing gap between electrodes and observing mechanical and chemical processes like particle motion and ignition. A limited range of spark conditions and material properties have been tested, which facilitated the development and validation of preliminary computational models describing this system. Significant gaps …
Reproducible Fluid Structure Interaction For Complex Flows In Engineered Systems, Allen Prasad Varghese
Reproducible Fluid Structure Interaction For Complex Flows In Engineered Systems, Allen Prasad Varghese
Dissertations
This dissertation focuses on the application of numerical models to study Fluid Structure Interaction (FSI) in the industrial context. The emphasis is on a series of case studies belonging to practical applications in design and manufacturing and that are solved by a synergistic use of theoretical and computational models. The first study looks into the hydrodynamic actions experienced by vibrating slender structures immersed in viscous fluids near the free surface. This study case is relevant to applications such as, for example, marine propulsion, micro-electro-mechanical systems, and atomic force microscopy. The hydrodynamic problem is governed by three parameters, namely the frequency, …
Development Of A Discrete Element Model For Artificial Turf, Justin Rittenhouse
Development Of A Discrete Element Model For Artificial Turf, Justin Rittenhouse
Dissertations
NFL data exhibits a distinct correlation between an elevated lower extremity injury rate and synthetic surfaces. These ubiquitous injuries frequently relate to excessive foot traction (i.e., failure to release causing fracture or soft tissue damage). Consequently, a discrete element model was developed using open-source software to analyze stud traction. First, laboratory data was collected via bench level experiments covering seventeen different testing scenarios. A minimum of twenty-five samples were collected per scenario. Total work, average torque, and maximum torque were used as indicators of stud grip. And the latter two were statistically analyzed for outliers and significant differences. Next, an …
Synthesis And Structure-Property Relationships Of Sustainable Nanostructured Materials Towards Energy And Environment Applications, Nizamudeen Cherupurakal
Synthesis And Structure-Property Relationships Of Sustainable Nanostructured Materials Towards Energy And Environment Applications, Nizamudeen Cherupurakal
Dissertations
This doctoral research aims to advance clean energy technologies by developing specialized nanostructured materials. The study covers significant research themes, each forming separate sections in the thesis, explaining the important role of nanostructures in enhancing the efficiency and sustainability of energy devices and photocatalytic technologies.
The enduring effort toward stabilizing and improving the efficiency of Dye-Sensitized Solar Cells (DSSCs) has stirred the solar research community to follow innovative approaches. The primary objective of the research is centered on electrode materials design, which improves photoanodes' Light-Harvesting Efficiency (LHE). To improve the Photoanode of DSSCs, a Metal-Organic Framework (MOF) derived porous photoanodes …
Friction Stir Welding Of Tube-To-Tubesheet And Spot Joints For Virgin And Recycled Thermoplastic Materials, Syed Haris Iftikhar
Friction Stir Welding Of Tube-To-Tubesheet And Spot Joints For Virgin And Recycled Thermoplastic Materials, Syed Haris Iftikhar
Dissertations
Thermoplastic materials are becoming popular, due to their chemically inert and anti-fouling properties, for use in industrial heat exchanger applications involving heating/cooling of highly reactive fluids like acids. A novel non-conventional joining framework, based on the Friction Stir Welding (FSW) technique, is developed to create high-quality thermoplastic Tube-to-Tubesheet Joints (TTJs). The proposed technique has applications in the thermoplastic shell-and-tube heat exchanger and piping industries (as flange-to-pipe joints). The primary objective is to study the feasibility of the FSW technique for developing thermoplastic TTJs, followed by optimization of the process parameters and detailed material characterizations. This work used workpieces (tube, tubesheet) …
Experimental Investigation Of Various Hydrogen Knock Limit Extension Strategies On A Hydrogen-Gasoline Dual Fuel Spark Ignition Engine, Sanad Thurakkal Puthan
Experimental Investigation Of Various Hydrogen Knock Limit Extension Strategies On A Hydrogen-Gasoline Dual Fuel Spark Ignition Engine, Sanad Thurakkal Puthan
Dissertations
Hydrogen is a clean and carbon free substitute with the ability to significantly cut down the harmful emissions while enhancing the energy efficiency of internal combustion engines (ICE) typically powered by conventional fossil fuels. Hydrogen is the most abundant elements which can be easily obtained from sources like water and biomass. The wide flammability range and high laminar flame velocity outstands hydrogen from other fuels. However, hydrogen fueled engines are more prone to abnormal combustion like knock and backfire due to its low ignition energy and high adiabatic flame temperature. To avoid backfire, several well developed approaches have been reported. …
Steminism: Analyzing Factors That Improve Retention Of Women In Stem, Kira Carter, Jane Kelley, Jason Vasser-Elong, Rc Patterson
Steminism: Analyzing Factors That Improve Retention Of Women In Stem, Kira Carter, Jane Kelley, Jason Vasser-Elong, Rc Patterson
Dissertations
Our co-authored research ‘Steminism: Analyzing Factors That Improve Retention for Women as STEM Majors’ analyzed factors that contributed to the retention of women in science, technology, engineering, and mathematics (STEM) programs at Missouri University of Science & Technology (Missouri S&T). Women make up half of the US population, and while careers in (STEM) are an integral part of the US economy, women are underrepresented in these career fields. The purpose of our dissertation is to address the underrepresentation of women in STEM majors. Our methodology included homogeneous sampling to collect qualitative data. More specifically, we consulted with academic advisors and …
Depressurization Characteristics Of Steam-Based Reciprocating Vacuum Pump, Hongling Deng
Depressurization Characteristics Of Steam-Based Reciprocating Vacuum Pump, Hongling Deng
Dissertations
This dissertation introduces a novel vacuum technology that leverages low-pressure saturated steam and cooling-controlled condensation, offering an efficient way to utilize low-grade thermal energy sources like waste heat, steam, or solar energy. At the heart of this technology is a unique duo-chamber vacuum pump system, featuring a reciprocating piston and a heat-conductive wall, designed to generate a vacuum through steam-condensation and cooling processes.
The core of this research lies in developing and validating mechanistic models for the steam-condensation depressurization process, a complex phenomenon involving phase change and transport mechanisms. Prior to this work, these mechanisms were not sufficiently modeled or …
Aerodynamic & Aeroacoustic Performance Of Wind Turbine Blades Featuring Enhanced Flow-Control, Md Zishan Akhter
Aerodynamic & Aeroacoustic Performance Of Wind Turbine Blades Featuring Enhanced Flow-Control, Md Zishan Akhter
Dissertations
Wind energy, being one of the cleanest and most sustainable sources, has undergone remarkable growth in recent years due to advancements in aerodynamics and increased power output. The research community is actively pursuing the development of cutting-edge solutions to further optimize wind turbine technology, ensuring its maximum efficiency and revolutionizing the landscape of wind power.
/="/">This research aims to design and develop flow-control devices for wind turbine blades, employing both active and passive control mechanisms, namely morphing trailing-edge and slot-profile, respectively. The objective is to enhance wind turbine performance across a wide range of wind speeds. The morphing trailing-edge …
Quantifying Balance: Computational And Learning Frameworks For The Characterization Of Balance In Bipedal Systems, Kubra Akbas
Quantifying Balance: Computational And Learning Frameworks For The Characterization Of Balance In Bipedal Systems, Kubra Akbas
Dissertations
In clinical practice and general healthcare settings, the lack of reliable and objective balance and stability assessment metrics hinders the tracking of patient performance progression during rehabilitation; the assessment of bipedal balance plays a crucial role in understanding stability and falls in humans and other bipeds, while providing clinicians important information regarding rehabilitation outcomes. Bipedal balance has often been examined through kinematic or kinetic quantities, such as the Zero Moment Point and Center of Pressure; however, analyzing balance specifically through the body's Center of Mass (COM) state offers a holistic and easily comprehensible view of balance and stability.
Building upon …
Improving Autonomous Vehicles Operational Performance Using Resilience Engineering, Johan Fanas Rojas
Improving Autonomous Vehicles Operational Performance Using Resilience Engineering, Johan Fanas Rojas
Dissertations
Autonomous vehicles are expected to revolutionize the transportation industry by providing a safer and more efficient means of transportation. However, as autonomous vehicles are deployed on public roads, they are exposed to significant risks, both in terms of safety and system performance. Recent studies have highlighted a range of errors and accidents associated with autonomous vehicles, underscoring the need for a systematic approach to improve their operational resilience. Resilience engineering, a discipline focused on designing and analyzing complex systems to better cope with unexpected events and disruptions, offers a promising framework for addressing these challenges. Despite the potential benefits of …
Enabling Energy Efficiency In Connected And Automated Vehicles Through Predictive Control Techniques, Farhang Motallebiaraghi
Enabling Energy Efficiency In Connected And Automated Vehicles Through Predictive Control Techniques, Farhang Motallebiaraghi
Dissertations
The transportation sector is a significant contributor to global energy consumption and emissions, necessitating the development of sustainable transportation systems. In this regard, connected and automated vehicles (CAVs) have emerged as a potential solution to transform the transportation industry. By harnessing advanced mapping and location technologies, Vehicle-to-Vehicle (V2V) and Vehicle-to-Infrastructure (V2I) communication, CAVs offer the promise of improving efficiency, reducing traffic congestion, and enhancing safety and comfort. However, the adoption of CAVs also brings about various challenges, including energy efficiency concerns that need to be addressed to fully realize their potential benefits. This dissertation investigates energy-efficient control techniques for transportation …
Importance Of Vegetation In Tsunami Mitigation: Evidence From Large Eddy Simulations With Fluid-Structure Interactions, Abhishek Mukherjee
Importance Of Vegetation In Tsunami Mitigation: Evidence From Large Eddy Simulations With Fluid-Structure Interactions, Abhishek Mukherjee
Dissertations
Communities worldwide are increasingly interested in nature-based solutions like coastal forests for the mitigation of coastal risks. Still, it remains unclear how much protective benefit vegetation provides, particularly in the limit of highly energetic flows after tsunami impact. The present thesis, using a three-dimensional incompressible computational fluid dynamics model with a fluid-structure interaction approach, aims to quantify how energy reflection and dissipation vary with different degrees of rigidity and vegetation density of a coastal forest.
In this study, tree trunks are represented as cylinders, and the elastic modulus of hardwood trees such as pine or oak is used to characterize …
Structural Integrity Assessment Of Shell And Tube Heat Exchanger Tube-To-Tubesheet Joints Fabricated Using Conventional And Nonconventional Manufacturing Processes, Dinu Thomas Thekkuden
Structural Integrity Assessment Of Shell And Tube Heat Exchanger Tube-To-Tubesheet Joints Fabricated Using Conventional And Nonconventional Manufacturing Processes, Dinu Thomas Thekkuden
Dissertations
Tubes and tubesheets, integral components of shell and tube heat exchangers, have an important role in the functioning of the heat transfer between the tube-side and shell-side fluids. Tube-to-tubesheet joints act as a barrier to prevent the mixing of the transfer fluids in addition to aiding the structural rigidity of the shell and tube heat exchanger. Tube expansion process and welding are the manufacturing processes used for fabricating structurally rigid tube-to-tubesheet joints. Many instances of tube-totubesheet joint failures leading to the complete collapse of the heat exchangers demand attention to assessing the mechanical and metallurgical characteristics of tube-totubesheet joints fabricated …
Modeling Of Two-Dimensional And Biological Materials Towards Diverse Nano-Systems Applications, Jatin Kashyap
Modeling Of Two-Dimensional And Biological Materials Towards Diverse Nano-Systems Applications, Jatin Kashyap
Dissertations
This dissertation studies the demonstration of materials ranging from two-dimensional (2D) materials to small bio-molecules using various atomistic/molecular and sub-atomic particles (electron, hole, excitons) modeling techniques for multi-domain applications. Three categories of materials/systems are investigated as follows: 2D materials, biological materials, and complexes of 2D and biological materials.
The first problem demonstrates wrinkles' ubiquitous presence in two-dimensional materials significantly alters their properties. It is observed that water molecules, sourced from ambient humidity or transfer method, can get diffused in between Graphene and the substrate during the Graphene growth. The water diffusion causes/assists wrinkle formation in Graphene, which influences its properties. …