Open Access. Powered by Scholars. Published by Universities.®
- Discipline
-
- Physical Sciences and Mathematics (2036)
- Civil and Environmental Engineering (1519)
- Mechanical Engineering (1418)
- Computer Engineering (1341)
- Electrical and Computer Engineering (1288)
-
- Materials Science and Engineering (974)
- Computer Sciences (794)
- Operations Research, Systems Engineering and Industrial Engineering (677)
- Chemical Engineering (675)
- Biomedical Engineering and Bioengineering (585)
- Aerospace Engineering (540)
- Environmental Sciences (536)
- Life Sciences (509)
- Social and Behavioral Sciences (443)
- Artificial Intelligence and Robotics (419)
- Mining Engineering (405)
- Civil Engineering (393)
- Sustainability (361)
- Construction Engineering and Management (355)
- Earth Sciences (354)
- Oil, Gas, and Energy (324)
- Engineering Science and Materials (322)
- Systems Science (310)
- Medicine and Health Sciences (294)
- Numerical Analysis and Scientific Computing (268)
- Transportation Engineering (259)
- Education (258)
- Architecture (251)
- Other Computer Engineering (244)
- Institution
-
- Missouri University of Science and Technology (536)
- California Polytechnic State University, San Luis Obispo (408)
- Utah State University (297)
- China Coal Technology and Engineering Group (CCTEG) (264)
- Old Dominion University (264)
-
- China Simulation Federation (248)
- Michigan Technological University (239)
- University of Arkansas, Fayetteville (207)
- Chulalongkorn University (184)
- Clemson University (173)
- University of Kentucky (163)
- Purdue University (155)
- Edith Cowan University (154)
- Air Force Institute of Technology (153)
- Brigham Young University (148)
- University of South Carolina (143)
- Association of Arab Universities (139)
- Embry-Riddle Aeronautical University (133)
- University of Nebraska - Lincoln (127)
- Changsha University of Science and Technology (125)
- Faculty of Engineering, Mansoura University (118)
- Tashkent State Technical University (116)
- University of Texas Rio Grande Valley (113)
- Al Iraqia University (112)
- University of Texas at Arlington (102)
- San Jose State University (101)
- Portland State University (94)
- United Arab Emirates University (90)
- Georgia Southern University (86)
- Technological University Dublin (86)
- Keyword
-
- Machine learning (180)
- Deep learning (128)
- Machine Learning (127)
- Sustainability (98)
- Engineering (90)
-
- Artificial intelligence (81)
- Optimization (65)
- Artificial Intelligence (62)
- Deep Learning (57)
- Robotics (52)
- Simulation (51)
- Additive manufacturing (47)
- Additive Manufacturing (43)
- AI (42)
- Cybersecurity (42)
- Mechanical properties (38)
- Architectural Engineering (36)
- Automation (35)
- Adsorption (33)
- Civil Engineering (33)
- CE (31)
- Department of Civil, Environmental, and Geospatial Engineering (31)
- Numerical simulation (30)
- Computer vision (29)
- Modeling (29)
- Reinforcement learning (29)
- Corrosion (28)
- Department of Mechanical and Aerospace Engineering (28)
- Mechanical Engineering (28)
- Civil and Environmental Engineering (27)
- Publication
-
- Theses and Dissertations (497)
- Coal Geology & Exploration (264)
- Journal of System Simulation (248)
- Faculty Publications (152)
- Research outputs 2022 to 2026 (150)
-
- Master's Theses (143)
- Michigan Tech Publications (125)
- Journal of China & Foreign Highway (123)
- Mansoura Engineering Journal (118)
- Iraqi Journal for Computer Science and Mathematics (112)
- Journal of Engineering Research (102)
- Electrical and Computer Engineering Faculty Research & Creative Works (99)
- Construction Management (93)
- All Dissertations (85)
- Civil, Architectural and Environmental Engineering Faculty Research & Creative Works (84)
- Tanzania Journal of Engineering and Technology (TJET) (82)
- Neutrosophic Systems with Applications (81)
- College of Engineering Summer Undergraduate Research Program (79)
- Electronic Theses and Dissertations (78)
- Master's Projects (77)
- All Theses (76)
- Doctoral Dissertations (75)
- Space Dynamics Laboratory Publications (75)
- Open Access Theses & Dissertations (74)
- Graduate Theses, Dissertations, and Problem Reports (ETD) (72)
- Journal of Metals, Materials and Minerals (72)
- Chulalongkorn University Theses and Dissertations (Chula ETD) (71)
- Mechanical Engineering (68)
- Chemical Technology, Control and Management (65)
- Doctoral Dissertations and Master's Theses (63)
- Publication Type
Articles 2431 - 2460 of 8628
Full-Text Articles in Engineering
Demystifying The Discharge Coefficient For Flow Over Thin Weirs And Sills, Joseph E. Pugh, Subhas Karan Venayagamoorthy, Timothy K. Gates
Demystifying The Discharge Coefficient For Flow Over Thin Weirs And Sills, Joseph E. Pugh, Subhas Karan Venayagamoorthy, Timothy K. Gates
Civil, Architectural and Environmental Engineering Faculty Research & Creative Works
A revised derivation of the discharge coefficient for flows over thin weirs and sills in the limits of wall overflow to a free overfall is given. Using dimensional analysis, we show that the discharge coefficient, (Formula presented), in the classical weir-discharge equation is best understood as a weir Froude number, (Formula presented), which accounts for the combined effects of inertia, contraction and viscous energy losses within the flow field. A comprehensive set of experimental data from historical studies is complimented by new data from the authors, featuring both laboratory flume experiments and three-dimensional numerical simulations of weir flows. Synthesis of …
Scalable And Adaptive Agile Framework For Semiconductor Foundry: Advanced Packaging And Heterogeneous Integration Perspective, Pravin Thorat
Scalable And Adaptive Agile Framework For Semiconductor Foundry: Advanced Packaging And Heterogeneous Integration Perspective, Pravin Thorat
Harrisburg University Dissertations and Theses
This research addressed the critical requirement for a scalable and adaptive agile framework specifically designed for the unique demands of semiconductor foundries specializing in advanced packaging and heterogeneous integration (HI). The semiconductor industry was encountering growing pressure to innovate and respond quickly to rapidly evolving demands, yet traditional manufacturing processes often struggled to adapt. Existing agile frameworks, mainly developed for the software industry, lacked the necessary adaptations to address the complexities of semiconductor manufacturing, including extended lead times, high capital investment, rigorous quality requirements, and the integration of various technologies. This research gap hindered the ability of semiconductor foundries to …
Development And Optimization Of Gradient Pore Structured Porous Ceramics: Modeling, Properties, And Potential For Industrial Production In Thermal Insulation Engineering, Gang Qi, Minghui Li, Ruoyu Chen, Haichuan Wang, Haiming Wen, Yi Ding, Xiaoyu Xia, Dixin Yan, Can Chen, Saisai Li
Development And Optimization Of Gradient Pore Structured Porous Ceramics: Modeling, Properties, And Potential For Industrial Production In Thermal Insulation Engineering, Gang Qi, Minghui Li, Ruoyu Chen, Haichuan Wang, Haiming Wen, Yi Ding, Xiaoyu Xia, Dixin Yan, Can Chen, Saisai Li
Materials Science and Engineering Faculty Research & Creative Works
This study prepared gradient pore structure ceramics from silica fume through direct foaming. The rheological behavior of the slurry was improved by varying the solids content. Physical and mathematical models were developed to describe the longitudinal movement of foam in the ceramic slurry and the mechanism of gradient pore formation. These models were used to predict the pore sizes at different heights within the ceramic. Insulation and mechanical properties were enhanced by optimizing the gradient pore structure. The gradient pore structure resulted in significant directional differences in specimen properties. Additionally, suitable sintering-temperatures for gradient pore structure ceramics are discussed. The …
Wear Of High Entropy Alloys: Understanding Effects Of Cryogenic Temperatures And Surface Nitriding On Wear Behavior, Aubrey Yu Tang
Wear Of High Entropy Alloys: Understanding Effects Of Cryogenic Temperatures And Surface Nitriding On Wear Behavior, Aubrey Yu Tang
Dartmouth College Ph.D Dissertations
Cryogenic tribological applications have become increasingly important with the development and innovation of advanced equipment in aerospace, polar regions, superconductivity, and more. Traditional lubrication methods are not viable under these harsh environments, so metallic materials must be able to maintain excellent mechanical properties and withstand the constant impact and wear alone. High entropy alloys (HEAs) have emerged as potential candidates for these applications because of their wide variety of excellent room temperature properties and apparent improvement of mechanical properties of some HEAs at extremely low temperatures. Despite their promising nature, very limited work has been done on understanding the wear …
Enhanced Global Oil Spill Dataset From 1967 To 2023 Based On Text-Form Incident Information, Yiming Liu, Zhuoli Yin, Hua Cai
Enhanced Global Oil Spill Dataset From 1967 To 2023 Based On Text-Form Incident Information, Yiming Liu, Zhuoli Yin, Hua Cai
The School of Sustainability Engineering and Environmental Engineering (SEE) Faculty Publications
Knowing how much oil was released into the environment in each incident is critical to studying the environmental, ecological, and economic impacts of oil spills. However, the release amounts (RAs) for numerous oil spill incidents remain unavailable in a structured format for large-scale analysis. The most extensive global oil spill database, managed by NOAA’s Office of Response and Restoration, only documents the worst-case scenario estimations in the machine-readable dataset, while more accurate values are embedded within unstructured incident descriptions and subsequent updates. To enhance the dataset with more accurate RAs, we developed a framework to extract the actual RAs from …
Development Of Numerical Tools And Performance Metrics For Analysis Of Optical Particle Counters, Doug Webb
Development Of Numerical Tools And Performance Metrics For Analysis Of Optical Particle Counters, Doug Webb
Theses and Dissertations
Monitoring air quality is essential for understanding and mitigating the health impacts of airborne particulate matter (PM), which is linked to respiratory and cardiovascular disease. Optical particle counters (OPCs) are widely used for air quality monitoring, yet their precision and accuracy remain uncertain due to inconsistent performance evaluations. In this thesis, performance metrics are developed that can be used to assess the accuracy of OPCs in measuring PM concentrations and size distributions. Computational fluid dynamics (CFD) simulations are employed to analyze the behavior of particle-laden air streams through representative OPC models. The impact of design parameters is quantified using newly …
Streamlining The Cleaning And Analysis Of Eye Tracking Data For Cross-Recurrence Analysis, Michael V. Rosalia
Streamlining The Cleaning And Analysis Of Eye Tracking Data For Cross-Recurrence Analysis, Michael V. Rosalia
McNair Summer Research Program
The use of multimodal data to understand and support collaborative learning has grown in popularity recently as it allows researchers to study complex learning tasks from different facets. However, multimodal analysis is often computationally complex and often requires a strong set of technical skills and mathematical understanding to clean and process the data, creating barriers that restrict researchers without advanced programming skills from conducting these analyses. There are existing software packages that can help with this process, but they are often piecemeal requiring the user to understand how to put them together and what best practices may entail. This can …
Exploring The Role Of Accessibility In Enhancing User Experience: Trends, Challenges, And Opportunities Across Digital Platforms, Adiba Khan
Harrisburg University Dissertations and Theses
Accessibility was a fundamental aspect of enhancing user experience (UX) across digital platforms, ensuring equitable access to information and services for a diverse range of users, including individuals with visual, auditory, cognitive, or motor impairments. As digital products became increasingly central to education, commerce, and communication, the need for inclusive design grew. This study explored the intersection of accessibility and UX, with a specific focus on how accessibility-driven design improved usability, user satisfaction, engagement, and the overall quality of digital interactions. Grounded in Agile project management principles, the research examined how early integration of accessibility into the software development lifecycle …
64th Annual Rocky Mountain Conference On Magnetic Resonance
64th Annual Rocky Mountain Conference On Magnetic Resonance
Rocky Mountain Conference on Magnetic Resonance
Final program, abstracts, and information about the 64th annual meeting of the Rocky Mountain Conference on Magnetic Resonance. Held in the Snowbird Resort and Conference Center, Snowbird, Utah, August 3-7, 2025.
Tracing Tremor: From Upper-Limb Neuromusculoskeletal Dynamics To Movement Signatures In Essential Tremor, Landon J. Beutler
Tracing Tremor: From Upper-Limb Neuromusculoskeletal Dynamics To Movement Signatures In Essential Tremor, Landon J. Beutler
Theses and Dissertations
Tremor is a common neurological condition that significantly impairs the quality of life for millions. Despite this prevalence, the underlying mechanisms of its propagation remain poorly understood, and current treatment options often rely on trial-and-error methods. Moreover, the most common type, Essential Tremor (ET), presents a unique challenge due to its heterogeneity--patients exhibit a wide range of symptoms, severities, and responses to treatment. This thesis primarily advances tremor understanding through computational modeling, with a secondary focus on data-driven subtyping of ET via cluster analysis. These parallel paths aim to improve both mechanistic insight and clinical classification. Tremor propagation refers to …
Effect Of Arm Movement On Lower Body Muscle Contributions To Standing Long Jump Performance, Abigail Douglas
Effect Of Arm Movement On Lower Body Muscle Contributions To Standing Long Jump Performance, Abigail Douglas
Masters Theses
Previous jumping studies have proven that jumping with arm motion enhances performance compared to jumping without arm motion. The purpose of this study was to investigate the effect of arm motion on the muscle contributions of the lower extremities during the standing long jump using muscle-actuated modeling informed by experimental data. Specifically investigating how arm motion enhances performance at the muscle level and how the muscle contributions of the lower extremities differ in jumps with and without arm motion. Three male and three female participants performed three jumps with arms and three jumps without arms. The longest jumps with and …
Design Of A Fan-Based Test Stand For Evaluating Multicopter Handling In Turbulent Flow, Salim Roig
Design Of A Fan-Based Test Stand For Evaluating Multicopter Handling In Turbulent Flow, Salim Roig
Doctoral Dissertations and Master's Theses
With the innovation of eVTOL rotorcraft the need to analyze how turbulence-induced disturbances from orthogonal flow affect various rotorcraft configurations outside of simulations have grown significantly. To investigate the behavior of this type of flow and how it interacts with various rotorcraft configurations, a turbulent inducing test stand was designed and constructed. The test stand will have two walls of computer fans arranged in an L-shape frame, creating wind gusts that simulate the non-linear turbulent wind experienced by eVTOL. This also aids the Eagle Flight Research Center (EFRC) in their efforts to better understand how disturbances affect the handling qualities …
Development Of Low-Cost Small-Batch Flibe Filtration, And A Comparison Of Uranium Tetrafluoride And Ionic Oxygen Oxidation In Flibe, Jacob D. Christensen
Development Of Low-Cost Small-Batch Flibe Filtration, And A Comparison Of Uranium Tetrafluoride And Ionic Oxygen Oxidation In Flibe, Jacob D. Christensen
Theses and Dissertations
Low-cost benchtop-scale molten fluoride salt cleaning was investigated in FLiBe (LiF-BeF2), focusing on electrochemical cleaning and filtration. FLiBe filtration was demonstrated using both pressurized and open filtration systems. Copper and 400 Monel meshes were effective and reusable. Wetting appears to be the primary obstacle to FLiBe filtration. Oxygen oxidation behavior in FLiBe was examined using cyclic voltammetry (CV) and cyclic square wave voltammetry (CSWV) techniques. Standard addition height measurement was used to determine electrode surface area. Results support a single-step 2-electron process, matching observations in literature. Pt electrodes may be prone to oxidative side reactions, although more investigation is required. …
Genetic Algorithm Optimization To Maximize Sensitivity Of Triboelectric Mems Accelerometers, Yu Tian, Benyamin Davaji, Shahrzad Towfighian
Genetic Algorithm Optimization To Maximize Sensitivity Of Triboelectric Mems Accelerometers, Yu Tian, Benyamin Davaji, Shahrzad Towfighian
Mechanical Engineering Faculty Scholarship
A genetic algorithm is used to optimize the sensitivity of a triboelectric MEMS accelerometer fabricated using CMOS-compatible processes. The optimization focuses on the structural parameters of an awl-shaped serpentine microspring (ASSM) connected to the proof mass. Constraints are defined by microfabrication standards and the available chip area. Three different constraint problems are considered, and the algo- rithm yields designs with maximized sensitivity in each case. Simulations under various sinusoidal vibration scenarios show that the optimized designs significantly outperform the previous version, achieving a 2.72× improvement at 1000 Hz and up to 20× at 500 Hz.
The Effect Of Wall Temperature And Transpiration On Görtler Vortices In High-Speed Boundary Layers, Asmaa Ahaggach
The Effect Of Wall Temperature And Transpiration On Görtler Vortices In High-Speed Boundary Layers, Asmaa Ahaggach
Theses and Dissertations
Görtler vortices are counterrotating flow structures generated as a result of the imbalance between the wall radial pressure gradients and the centrifugal forces in a boundary layer developing on a curved surface. Their presence leads to secondary instabilities and increases the wall shear stress as they accelerate the transition from laminar to turbulent flow. These secondary instabilities can be mitigated using control techniques aimed at decreasing the energy and the wall shear stress. In this thesis, the combined effect of wall temperature and transpiration on Görtler vortices developing in supersonic and hypersonic boundary layers is investigated. Görtler vortices are excited …
Load Balancing For Stream Processing In Edge Computing, Faiza Akram
Load Balancing For Stream Processing In Edge Computing, Faiza Akram
Theses and Dissertations
Unlike cloud-based systems, where resources are centralized for data processing and located at a distance from the source, leading to an increase in the response time, edge computing emerges as a transformative paradigm that processes the data closer to the sources to meet the application’s service requirements. Since the resources in edge computing are distributed and limited, load balancing is crucial. To ensure the prevention of bottlenecks and failures in resource-constrained environments, load balancing is an important aspect of edge computing as it optimizes resource utilization while maintaining the requirements of low-latency applications, improved fault tolerance, energy efficiency, adaptability, scalability, …
Optical Trapping For The Study Of The Chemical And Physical Dynamics Of Single Particles, Yukai Ai
Optical Trapping For The Study Of The Chemical And Physical Dynamics Of Single Particles, Yukai Ai
Theses and Dissertations
This dissertation explores the combined technique of optical trapping and Raman spectroscopy (OT-RS) to study the physical and chemical properties, as well as the dynamic surface changes, of single aerosol particles in air. The study covers a wide range of aerosol types, including bioaerosols (such as pollen, bacteria, and fungi), dust particles (such as black carbon, terrestrial, and extraterrestrial materials), and liquid droplets (such as sea-spray aerosols). The optical trapping system used in this work is based on the universal optical trap (UOT), which is capable of trapping and manipulating a wide variety of particle types. These include both transparent …
Calibration And Validation Of The Thermal Finite Element Model For Er120s-G Wire Arc Directed Energy Deposition Using Infrared Cameras And Thermocouples, Joshua Mykl Bassett
Calibration And Validation Of The Thermal Finite Element Model For Er120s-G Wire Arc Directed Energy Deposition Using Infrared Cameras And Thermocouples, Joshua Mykl Bassett
Theses and Dissertations
Wire Arc Directed Energy Deposition (WA-DED) is a promising additive manufacturing method for producing large metallic components with high deposition rates and low costs. However, its rapid heat input can lead to residual stress, microstructural changes, and dimensional inaccuracies. Accurate thermal modeling is essential to mitigate these effects. This study presents a thermal calibration of a finite element model (FEM) for ER120S-G using thermocouples and infrared (IR) imaging. Thermal data were gathered from three experiments to complete the calibration of the FEM . Calibration focused on tuning the Goldak heat source parameters, power efficiency, and heat transfer coefficients to minimize …
Towards Applying Artificial Intelligence To Solve Np-Complete Problems Using Quantum Computing, Andrew Robert Haverly
Towards Applying Artificial Intelligence To Solve Np-Complete Problems Using Quantum Computing, Andrew Robert Haverly
Theses and Dissertations
This dissertation explores the methodology for more thoroughly entangling artificial intelligence and quantum computing. This is explored through a background search of problems solved using Grover’s quantum algorithm, a new quantum protein folding and drug discovery algorithm, using Grover’s algorithm to train quantum artificial neural networks, using quantum artificial neural networks for reinforcement learning, mapping classical assembly instructions to quantum circuits to make quantum programming easier, and using prompt engineering to get a classical artificial intelligence agent to solve an NP-Complete problem using a Grover’s algorithm. This method not only simplifies the creation of algorithms but also opens new avenues …
Spray Characterization And Fuel Property Analysis Of Tier 3 Gasoline In A Gdi System Using Machine Learning, Kyungwon Lee
Spray Characterization And Fuel Property Analysis Of Tier 3 Gasoline In A Gdi System Using Machine Learning, Kyungwon Lee
Theses and Dissertations
This study investigates the spray behavior of Tier 3 gasoline in gasoline direct injection engines using experimental methods. Tier 3 gasoline, formulated with lower sulfur content, enhances aftertreatment system efficiency and supports cleaner combustion. A comparative fuel property analysis between Tier 3 gasoline and PACE-20, surrogate fuel, was conducted to understand compositional effects on spray. A constant volume spray chamber and optical diagnostics, including diffuse back-illumination extinction, Schlieren, microscopic, and 3D CT reconstruction imaging, were used to examine spray morphology under varying injection conditions. Key spray parameters such as liquid volume fraction, projected liquid volume, droplet size, and cone angle …
Transforming Movement Assessment In Physical Therapy Through Subaquatic Data Collection, Kaitlyn Mcdonald
Transforming Movement Assessment In Physical Therapy Through Subaquatic Data Collection, Kaitlyn Mcdonald
Theses and Dissertations
This study explored the interest and perceived barriers to integrating subaquatic diagnostic technologies (SDTs) into hydrotherapy among licensed physical therapists. Seventeen semi-structured interviews were conducted using a mixed-methods design, with 15 interviews included in the final analysis. Quantitative data were analyzed using chi-square tests, while qualitative responses were coded thematically. Results indicated no statistically significant relationships between SDT interest and career stage or hydrotherapy access, though qualitative data highlighted concerns about cost, limited access, and usability. Despite mixed interest in adoption, participants identified several potential benefits of SDTs, including improved treatment tailoring, increased patient buy-in, and enhanced outcome monitoring. Functional …
Neural Architecture Search-Driven Unsupervised Domain Adaptation For Enhanced Wood Chip Quality Evaluation In Forest Industries, Abdur Rahman
Theses and Dissertations
Reliable and efficient measurement of wood chip moisture content is crucial for forest-reliant industries, including biofuel production, pulp and paper manufacturing, and bio-refineries, as it directly influences product quality and energy output. Traditional methods like the oven-drying technique, despite their widespread use, are time-consuming and impractical for real-time applications, while modern alternatives such as NIR spectroscopy, electrical capacitance, and microwave analysis are often costly, less portable, and require specialized expertise. This dissertation addresses these limitations by leveraging deep learning and machine vision to develop a scalable, accurate, and portable method for moisture content measurement using RGB images of wood chips. …
Thermo-Mechanical Advancements For Very High Strength And Ultra High Performance Concretes, Lana Grayson Brown Sisung
Thermo-Mechanical Advancements For Very High Strength And Ultra High Performance Concretes, Lana Grayson Brown Sisung
Theses and Dissertations
Interest in the use of high-strength concrete (HSC) has increased in recent years with demand for improved concrete performance. HSCs are widely associated with high heat of hydration and elusive behavior when exposed to high temperatures commonly occurring in mass structures. The optimization of HSC mixture proportioning is difficult due to a wide variety of constituents that influence thermal and mechanical properties. Additionally, determining in-place properties of mass concrete placements is elusive, and there are currently minimal to no test methods available that are both predictive and a direct measurement of mechanical properties. The objective of this dissertation is to …
Non-Thermal Dbd Plasma-Induced Co₂ Capture And Conversion To Value Added Chemicals, Chinwendu Theresa Umeojiakor
Non-Thermal Dbd Plasma-Induced Co₂ Capture And Conversion To Value Added Chemicals, Chinwendu Theresa Umeojiakor
Theses and Dissertations
Electrified CO2 conversion via nonthermal dielectric-barrier discharge (DBD) plasma presents a promising pathway for integrating renewable energy into the carbon cycle, addressing the dual challenges of CO2 reduction and sustainable fuel generation. In this research, DBD plasma technology was integrated with a sorbent material and/or catalytic materials for CO2 desorption and conversion. Specifically, with Ni/Al2O3 as the catalyst, we investigated CO2 splitting (CO2 to CO and 0.5O2) and hydrogenation (CO2 and H2 to CO and H2O) under adiabatic and subcooled conditions. We find that CO2 splitting shows higher efficiency than hydrogenation, particularly at relatively lower power inputs. While CO2 hydrogenation …
Interatomic Potential Of Multiphase Materials Using Modified Embedded Atom Method (Meam) And Artificial Neural Network (Rann), Henan Zhou
Theses and Dissertations
There is a significant need for computer simulations to explore multiphase materials because of their significance in both industry and research. These simulations are both more efficient and less expensive than many experimental approaches, making them an ideal choice for this purpose. It is possible to use molecular dynamics simulations that make use of the MEAM and RANN interatomic potentials in order to comprehend and characterize the properties, performance, and behavior of materials at the atomic scale of different material phases. In the realms of elements, alloys, and impurities, MEAM can be utilized in a wide variety of applications. Through …
Reactive Molecular Dynamics And Method Development For Applications In Renewable Energy And Sorption Equilibria, Woodrow Wilson
Reactive Molecular Dynamics And Method Development For Applications In Renewable Energy And Sorption Equilibria, Woodrow Wilson
Theses and Dissertations
It is crucial to harness energy from sustainable sources to combat the dwindling nonrenewable feedstocks used to produce everyday commodities and fuels. Liquid-phase heterogeneous catalysis has demonstrated remarkable product selectivity and yields for reactions relevant to biomass valorization under mild operating conditions. However, active site characterization is challenging due to the complex solvated environment and interface. Ground-state first-principles (FP) molecular simulations have provided insights into reactive systems in catalysis. These calculations, however, scale poorly with the number of electrons. Observing atomic motion with molecular dynamics (MD) or sampling static properties with Monte Carlo (MC) simulations at statistically relevant lengths- and …
Transformations Of Uzbekistan Quartz Raw Materials – Quartzites Of The Dzherdanak Deposit And Vein Quartz Of The Nurota Deposit Under Thermal Impact, Umar G. Nomazov, Mastura Kh. Aripova
Transformations Of Uzbekistan Quartz Raw Materials – Quartzites Of The Dzherdanak Deposit And Vein Quartz Of The Nurota Deposit Under Thermal Impact, Umar G. Nomazov, Mastura Kh. Aripova
CHEMISTRY AND CHEMICAL ENGINEERING
The aim of the work is to study the transformations of quartz raw materials as a result of high-temperature exposure. The objects of the study were quartzite from the Dzherdanak deposit in the Surkhandarya region and vein quartz from the Nurota deposit in the Samarkand region. The mineralogical composition of natural raw materials and phase and structural transformations during high-temperature exposure to 1430 ° C were studied using X-ray and differential thermal analysis. Based on the results of physicochemical analysis methods, it was found that vein quartz consists entirely of quartz and, therefore, it can be assumed that impurity elements …
Kinetics Of Adsorption Of Copper And Nickel Ions Using A Rice Husk-Based Sorbent, Aziza A. Maksudova, Shukhrat A. Mutalov, Klara M. Adilova
Kinetics Of Adsorption Of Copper And Nickel Ions Using A Rice Husk-Based Sorbent, Aziza A. Maksudova, Shukhrat A. Mutalov, Klara M. Adilova
CHEMISTRY AND CHEMICAL ENGINEERING
The aim of this study is to investigate the adsorption kinetics of Cu(II) and Ni(II) ions from aqueous solutions using an adsorbent obtained by treating rice husk with a solution of monoethanolamine. The experiments evaluated the influence of contact time on the efficiency of metal ion removal and calculated the adsorption capacity. To analyze the adsorption process kinetics, pseudo-first-order and pseudo-second-order kinetic models were applied. The results demonstrated that the adsorption process follows the pseudo-second-order kinetic model. Thus, monoethanolamine-modified rice husk can be considered an effective, environmentally friendly, and economically viable sorbent for the removal of heavy metal ions from …
Quantum-Chemical Study Of Complex Compounds Of Lanthanides With 2-Aminobenzimidazole Derivatives, Bakhtigul Yu. Ruzieva, Feruza F. Fayzullayeva, Zuhra Ch. Kadirova, Shahlo Sh. Daminova
Quantum-Chemical Study Of Complex Compounds Of Lanthanides With 2-Aminobenzimidazole Derivatives, Bakhtigul Yu. Ruzieva, Feruza F. Fayzullayeva, Zuhra Ch. Kadirova, Shahlo Sh. Daminova
CHEMISTRY AND CHEMICAL ENGINEERING
The aim of this study is to perform quantum-chemical modeling of mixed-ligand complexes of trivalent lanthanoid ions (Ln³⁺) involving primary ligands — 2-amino-1-methylbenzimidazole (MAB) and 2-phenylmethyl-1H-benzimidazole (FAB), as well as additional ligands — diethyldithiocarbamate (DEDTK), benzohydroxamic acid (BGK), and potassium diisopropyldithiophosphate (DiPDTP). Quantum-chemical calculations were carried out using semi-empirical methods within the PM3 and PM6 approaches, implemented in the BIOVIA Materials Studio (Accelrys Studio 2017) software package. The obtained data made it possible to determine the influence of the nature of the mixed ligands on the coordination behavior of lanthanoids and the stability of the corresponding complexes.
Synthesis And Ir Spectroscopic Study Of Complexes Of Selected 3d-Metals With 2-(Phenylmethyl)-1h-Benzimidazole, Gulnoza O. Babayeva, Gulbeka G. Mamatova, Daminbek A. Ziyatov, Lola Sh. Makhmudova, Shahlo Sh. Daminova
Synthesis And Ir Spectroscopic Study Of Complexes Of Selected 3d-Metals With 2-(Phenylmethyl)-1h-Benzimidazole, Gulnoza O. Babayeva, Gulbeka G. Mamatova, Daminbek A. Ziyatov, Lola Sh. Makhmudova, Shahlo Sh. Daminova
CHEMISTRY AND CHEMICAL ENGINEERING
The aim of this study was the synthesis and structural investigation of coordination compounds of selected 3d-metals with 2-(phenylmethyl)-1H-benzimidazole (FAB) using IR spectroscopy. Complexes of copper(II), nickel(II), cobalt(II), and zinc(II) with the general formula [M(FAB)2Cl2], as well as a complex [Co(FAB)2(ac)2], were synthesized. IR spectroscopic analysis revealed that FAB coordinates to metal ions through the nitrogen atom of the benzimidazole ring. Shifts in the ν(C=N), ν(C-N) bands and the appearance of new bands in the 580-430 cm⁻¹ region corresponding to ν(M-N) and ν(M-Cl) confirm the formation of metal complexes. It was established …