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2022

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Articles 5311 - 5340 of 9379

Full-Text Articles in Engineering

A Computational Approach For The Estimation Of Elastic Behavior Of Metal Matrix Composites, Emmanuel Michalakis Apr 2022

A Computational Approach For The Estimation Of Elastic Behavior Of Metal Matrix Composites, Emmanuel Michalakis

ME 4233/6233 Fundamentals of FEA

Composite materials are being widely used in many industries for their properties and efficiency. The current work presents a computational approach that can estimate the elastic behavior of metal composites and porous materials using finite element models of representative volume elements (RVEs) which have been used to test and design particulate composite materials. The required size of the RVE for the determination of elastic properties, the effects of the elastic modulus fraction Einc/Emat on the homogenized elasticity and the convergence of the homogenized properties E11, E22 and E33 with the size of the RVE is explored.

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Investigation On Electrochemical Processes Of P-Aminothiophenol On Gold Electrode Of Nanostructures, Hui-Yuan Peng, Jia-Zheng Wang, Jia Liu, Huan-Huan Yu, Jian-De Lin, De-Yin Wu, Zhong-Qun Tian Apr 2022

Investigation On Electrochemical Processes Of P-Aminothiophenol On Gold Electrode Of Nanostructures, Hui-Yuan Peng, Jia-Zheng Wang, Jia Liu, Huan-Huan Yu, Jian-De Lin, De-Yin Wu, Zhong-Qun Tian

Journal of Electrochemistry

Electrochemical reactions on nanostructured noble electrodes have received much attention, however, the reaction mechanism and reaction kinetics are still difficult to be studied. Probe molecule can give an insight to the investigation of electrochemical reactions on noble electrodes with nanostructures. In this paper, the electrochemical process of p-aminothiophenol (PATP) adsorbed on the gold electrode was studied by electrochemical cyclic voltammetry and surface-enhanced Raman spectroscopy (SERS). Here, we used one-step sodium citrate reduction method (Frens method) to synthesize gold nanoparticles, which are used to construct the nanostructured gold electrode. The Raman electrolytic cell used was based on the traditional three-electrode electrolytic …

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Study On Electrochemical Conversion Of Ammonium Sulfate To Ammonium Persulfate In Acetylpyrazine Wastewater, Yi-Jie Wang, Dong-Fang Niu, Xin-Sheng Zhang Apr 2022

Study On Electrochemical Conversion Of Ammonium Sulfate To Ammonium Persulfate In Acetylpyrazine Wastewater, Yi-Jie Wang, Dong-Fang Niu, Xin-Sheng Zhang

Journal of Electrochemistry

Acetylpyrazine is an important spice and also plays important roles in biology, medicine and other fields. However, the wastewater containing ammonium persulfate, ferric ion (Fe3+), pyrazine, and a large amount of ammonium sulfate was produced during the production of acetylpyrazine. In this study, ammonium sulfate in acetylpyrazine wastewater was electrolytically converted into ammonium persulfate for economic benefits. Using platinum as an anode and graphite as a cathode, the influence factors of the electrolysis process (including the composition of the anolyte, the current density, the temperature, etc.) were firstly investigated without interference from other compositions. Under the optimal condition, …

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Study On Electrodeposition Of Antimony In Choline Chloride-Ethylene Glycol Eutectic Solvent, Hao Wang, Xiao-Zhou Cao, Xiang-Xin Xue Apr 2022

Study On Electrodeposition Of Antimony In Choline Chloride-Ethylene Glycol Eutectic Solvent, Hao Wang, Xiao-Zhou Cao, Xiang-Xin Xue

Journal of Electrochemistry

Antimony is a chemically stable metal that has been widely used in industry, military and other fields. The use of electrodeposition to prepare antimony coating has the advantages of simple operation and low cost. The deep eutectic solvent (DES) is a eutectic mixture composed of a hydrogen bond donor and a hydrogen bond acceptor at a fixed molar ratio. It has the advantages of wide electrochemical window, high thermal stability, easy preparation, and low cost. Selecting DES as the electrolyte for electrodeposition can avoid the hydrogen evolution reaction of the aqueous system and the toxicity of ionic liquids. In recent …

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A Primer For Designing A Small Spacecraft Mission Operations Architecture, Joseph M. A. Feliciano Apr 2022

A Primer For Designing A Small Spacecraft Mission Operations Architecture, Joseph M. A. Feliciano

Morehead State Theses and Dissertations

A thesis presented to the faculty of the College of Science at Morehead State University in partial fulfillment of the requirements for the Degree of Master of Science by Joseph M. A. Feliciano on April 28, 2022.

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Methodology To Compare Performance Of Residential Hvac Systems Operating In Cooling Mode, Manoj Bhandari Apr 2022

Methodology To Compare Performance Of Residential Hvac Systems Operating In Cooling Mode, Manoj Bhandari

Mechanical Engineering Theses

Residential HVAC systems are selected and installed based on the goals of the customer. For spec homes, the most common types of systems are traditionally ducted with standard efficiency. However, for custom homes, the recent trend has included high-efficiency HVAC systems that are often accompanied by air-tight home envelopes with highly thermally resistant foam insulation in the walls. Several high-efficiency systems are available in the market with the performance of these systems varying between the different manufacturers and the types of systems. The systems available in the market can be compared and ranked based on their thermal performance and energy …

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Adjusting The Alloying Degree Of Pt3Zn To Improve Acid Oxygen Reduction Activity And Stability, Tian-En Zhang, Ya-Ni Yan, Jun-Ming Zhang, Xi-Ming Qu, Yan-Rong Li, Yan-Xia Jiang Apr 2022

Adjusting The Alloying Degree Of Pt3Zn To Improve Acid Oxygen Reduction Activity And Stability, Tian-En Zhang, Ya-Ni Yan, Jun-Ming Zhang, Xi-Ming Qu, Yan-Rong Li, Yan-Xia Jiang

Journal of Electrochemistry

Proton exchange membrane fuel cell (PEMFC) is a new type of energy device, a relatively excellent way to achieve carbon neutrality. However, due to the relatively slow reaction rate of oxygen reduction reaction (ORR) at the cathode, platinum (Pt) is the key material of the cathode catalyst. However, Pt is a kind of noble metal, and its high cost restricts the PEMFC commercialization process. At present, the main approach is to combine transition metals with Pt to prepare Pt-based alloys and to reduce the use of Pt. Pt-based alloys are excellent catalysts for ORR, improving both the activity and stability, …

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5-Axis Milling For Micro-Machining Of Implantable Flow Sensor, Devin Kot-Thompson Apr 2022

5-Axis Milling For Micro-Machining Of Implantable Flow Sensor, Devin Kot-Thompson

Honors Scholar Theses

5 axis milling is a manufacturing process utilizing CNC technology. It has been widely supported as an effective tool for micro machining throughout multiple industries. In medical manufacturing specifically, there is a large demand for high accuracy at the microscale level as the geometries of medical devices are often highly complex. 5-axis milling offers the means to develop such complex features including curved faces and steep walls. This thesis covers the conversion of a generic 3-axis milling machine into a 5-axis machine. Through testing, the modified device effectively demonstrated its ability to run 5-axis tool paths required for complex designs. …

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Design, Development, And Calibration Of An Electric Field Probe For Use On Sounding Rockets, Anthony Oreo Apr 2022

Design, Development, And Calibration Of An Electric Field Probe For Use On Sounding Rockets, Anthony Oreo

Doctoral Dissertations and Master's Theses

Earth’s ionosphere is a dynamic environment that has yet to be fully understood. Interactions of high-energy particles from space with atmospheric plasma and the Earth’s natural magnetic field create many interesting interactions, many of which have direct impacts on the planet and human life. Understanding the dynamics of the upper atmosphere is a compelling endeavor, with much of the research being conducted through high-altitude sounding rockets. These rockets allow for in-situ measurements of the physical parameters of the upper atmosphere which in turn helps in the answering of important questions in space science. In order to quantify the force a …

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Electrochemical Degradation Of Oxytetracycline Catalyzed By Fe3O4 Magnetic Nanoparticles, Fang Ying, Shan-Shan Xu, Yan-Bing Xu, Miao-Miao Liang, Jian-Feng Li Apr 2022

Electrochemical Degradation Of Oxytetracycline Catalyzed By Fe3O4 Magnetic Nanoparticles, Fang Ying, Shan-Shan Xu, Yan-Bing Xu, Miao-Miao Liang, Jian-Feng Li

Journal of Electrochemistry

The purpose of this study is to optimize the electrochemical degradation of oxytetracycline (OTC) in water using a low cost and simple preparation method. In this paper, the Fe3O4 magnetic nanoparticles were used as catalysts to activate the electrochemical oxidation system of peroxydisulfates (PDS) which acted as electrolytes to provide active free radicals in order to improve the degradation of OTC under the condition of applying current. As one of the tetracycline antibiotics (TCs), OTC is one of the most used antibiotics in the world, therefore, it is necessary to study the effective degradation of OTC. By …

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Preparation Of Pt@Basrtio3 Nanostructure And Its Properties Towards Photoelectrochemical Ammonia Synthesis, Jing Zhang, Rui-Xia Guo, Jian-Jun Fu, Shi-Bin Yin, Pei-Kang Shen, Xin-Yi Zhang Apr 2022

Preparation Of Pt@Basrtio3 Nanostructure And Its Properties Towards Photoelectrochemical Ammonia Synthesis, Jing Zhang, Rui-Xia Guo, Jian-Jun Fu, Shi-Bin Yin, Pei-Kang Shen, Xin-Yi Zhang

Journal of Electrochemistry

Ammonia is an important industrial raw material and a potential green energy. Using renewable energy to convert nitrogen into ammonia under ambient condition is an attractive method. However, the development of efficient photoelectrochemical ammonia synthesis catalysts remains a challenge. Perovskite such as BaSrTiO3 (BST) is a good photocatalytic material. However, BST is active under ultraviolet light and has a high recombination rate of photogenerated electron-hole pairs. By dispersing precious metals, it can effectively regulate the absorption of sunlight by BST. In this work, we used a two-step method to prepare BST. The H2PtCl6·6H2O …

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Multi-Scale Simulation Revealing The Decomposition Mechanism Of Electrolyte On Lithium Metal Electrode, Yan-Yan Zhang, Yue Liu, Yi-Ming Lu, Pei-Ping Yu, Wen-Xuan Du, Bing-Yun Ma, Miao Xie, Hao Yang, Tao Cheng Apr 2022

Multi-Scale Simulation Revealing The Decomposition Mechanism Of Electrolyte On Lithium Metal Electrode, Yan-Yan Zhang, Yue Liu, Yi-Ming Lu, Pei-Ping Yu, Wen-Xuan Du, Bing-Yun Ma, Miao Xie, Hao Yang, Tao Cheng

Journal of Electrochemistry

Lithium metal is considered as an ideal anode material for next-generation high energy density batteries with its high specific capacity and low electrode potential. However, the high activity of lithium metal can lead to a series of safety issues. For example, lithium metal will continuously react chemically with the electrolyte, forming unstable the solid electrolyte (SEI) films. In addition, lithium dendrites can be formed during cycling, which can puncture the SEI film and cause short circuits in the battery. These drawbacks greatly hinder the commercial application of lithium metal. To solve the above problems, it is important to understand the …

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Composite Style Pixel And Point Convolution-Based Deep Fusion Neural Network Architecture For The Semantic Segmentation Of Hyperspectral And Lidar Data, Kevin T. Decker, Brett J. Borghetti Apr 2022

Composite Style Pixel And Point Convolution-Based Deep Fusion Neural Network Architecture For The Semantic Segmentation Of Hyperspectral And Lidar Data, Kevin T. Decker, Brett J. Borghetti

Faculty Publications

Multimodal hyperspectral and lidar data sets provide complementary spectral and structural data. Joint processing and exploitation to produce semantically labeled pixel maps through semantic segmentation has proven useful for a variety of decision tasks. In this work, we identify two areas of improvement over previous approaches and present a proof of concept network implementing these improvements. First, rather than using a late fusion style architecture as in prior work, our approach implements a composite style fusion architecture to allow for the simultaneous generation of multimodal features and the learning of fused features during encoding. Second, our approach processes the higher …

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Tuning The Physicochemical, Structural, And Antimicrobial Attributes Of Whey-Based Poly (L-Lactic Acid) (Plla) Films By Chitosan Nanoparticles, Farhad Garavand, Milad Rouhi, Shima Jafarzadeh, Diako Khodaei, Ilaria Cacciotti, Masoumeh Zargar, Seyed Hadi Razavi Apr 2022

Tuning The Physicochemical, Structural, And Antimicrobial Attributes Of Whey-Based Poly (L-Lactic Acid) (Plla) Films By Chitosan Nanoparticles, Farhad Garavand, Milad Rouhi, Shima Jafarzadeh, Diako Khodaei, Ilaria Cacciotti, Masoumeh Zargar, Seyed Hadi Razavi

Research outputs 2022 to 2026

Recently, the research and innovation to produce raw materials from microbial processes has gained much attention due to their economic and environmental impacts. Lactic acid is a very important microbial product due to its wide application in the food, pharmaceutical, cosmetic, and chemical industries. In the current study, poly (L-lactic acid) (PLLA) was produced by the ring opening polymerization (ROP) technique of L-lactic acid recovered from whey fermentation, and was used for the production of nanocomposites films reinforced with chitosan nanoparticles (CNPs) (average diameter ca. 100–200 nm). Three different CNPs concentrations, namely 1, 3, and 5% w/w, were tested, and …

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Acoustofluidics For Simultaneous Nanoparticle-Based Drug Loading And Exosome Encapsulation, Zeyu Wang, Joseph Rich, Nanjing Hao, Yuyang Gu, Chuyi Chen, Shujie Yang, Peiran Zhang, Tony Jun Huang Apr 2022

Acoustofluidics For Simultaneous Nanoparticle-Based Drug Loading And Exosome Encapsulation, Zeyu Wang, Joseph Rich, Nanjing Hao, Yuyang Gu, Chuyi Chen, Shujie Yang, Peiran Zhang, Tony Jun Huang

Faculty Publications

Nanocarrier and exosome encapsulation has been found to significantly increase the efficacy of targeted drug delivery while also minimizing unwanted side effects. However, the development of exosome-encapsulated drug nanocarriers is limited by low drug loading efficiencies and/or complex, time-consuming drug loading processes. Herein, we have developed an acoustofluidic device that simultaneously performs both drug loading and exosome encapsulation. By synergistically leveraging the acoustic radiation force, acoustic microstreaming, and shear stresses in a rotating droplet, the concentration, and fusion of exosomes, drugs, and porous silica nanoparticles is achieved. The final product consists of drug-loaded silica nanocarriers that are encased within an …

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Understanding Processing And Mechanics Of Extrusion-Based Additive Manufacturing For Multi-Material Parts, Jafar N/A Ghorbani Apr 2022

Understanding Processing And Mechanics Of Extrusion-Based Additive Manufacturing For Multi-Material Parts, Jafar N/A Ghorbani

Mechanical Engineering ETDs

Despite the design freedom that additive manufacturing (AM) processes provide, there are still challenges in using some AM processes for end-use products. Fused filament fabrication (FFF), also known as material extrusion, is one of the AM technologies that has been used mainly for prototyping due to the low cost of machines, raw material, and ease of operation. Another advantage of FFF is its ease of integration with other additive or subtractive technologies. However, some disadvantages such as relatively poor and anisotropic mechanical properties have hindered FFF for end-use engineering components. The first chapter of this dissertation is a brief review …

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Regularized Inversion Of Aerosol Hygroscopic Growth Factor Probability Density Function: Application To Humidity-Controlled Fast Integrated Mobility Spectrometer Measurements, Jiaoshi Zhang, Yang Wang, Steven Spielman, Susanne Hering, Jian Wang Apr 2022

Regularized Inversion Of Aerosol Hygroscopic Growth Factor Probability Density Function: Application To Humidity-Controlled Fast Integrated Mobility Spectrometer Measurements, Jiaoshi Zhang, Yang Wang, Steven Spielman, Susanne Hering, Jian Wang

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

Aerosol hygroscopic growth plays an important role in atmospheric particle chemistry and the effects of aerosol on radiation and hence climate. The hygroscopic growth is often characterized by a growth factor probability density function (GF-PDF), where the growth factor is defined as the ratio of the particle size at a specified relative humidity to its dry size. Parametric, least-squares methods are the most widely used algorithms for inverting the GF-PDF from measurements of the humidified tandem differential mobility analyzer (HTDMA) and have been recently applied to the GF-PDF inversion from measurements of the humidity-controlled fast integrated mobility spectrometer (HFIMS). However, …

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Audio-Based Wildfire Detection On Embedded Systems, Hung-Tien Huang, Austin Downey, Jason D. Bakos Apr 2022

Audio-Based Wildfire Detection On Embedded Systems, Hung-Tien Huang, Austin Downey, Jason D. Bakos

Faculty Publications

The occurrence of wildfires often results in significant fatalities. As wildfires are notorious for their high speed of spread, the ability to identify wildfire at its early stage is essential in quickly obtaining control of the fire and in reducing property loss and preventing loss of life. This work presents a machine learning wildfire detecting data pipeline that can be deployed on embedded systems in remote locations. The proposed data pipeline consists of three main steps: audio preprocessing, feature engineering, and classification. Experiments show that the proposed data pipeline is capable of detecting wildfire effectively with high precision and is …

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Contact Angles Of A Brine On A Bituminous Coal In Compressed Hydrogen, Rossen Sedev, Hamed Akhondzadeh, Mujahid Ali, Alireza Keshavarz, Stefan Iglauer Apr 2022

Contact Angles Of A Brine On A Bituminous Coal In Compressed Hydrogen, Rossen Sedev, Hamed Akhondzadeh, Mujahid Ali, Alireza Keshavarz, Stefan Iglauer

Research outputs 2022 to 2026

Hydrogen storage is a main issue in the establishment of a hydrogen economy. Geo-storage could be a viable solution if hydrogen could be injected into and withdrawn from suitable geological formations, reversibly and reliably. Rock wettability is a major factor as it affects injectivities, withdrawal rates, storage capacities, and containment security. We report here the contact angles of a brine on the surface of a bituminous coal in a pressurized hydrogen atmosphere. Under realistic geo-storage conditions the coal surface was weakly water-wet. Hydrogen pressure increased brine contact angles at 25°C but did not have an impact at 50 or 70°C. …

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Cognality Vr: Exploring A Mobile Vr App With Multiple Stakeholders To Reduce Meltdowns In Autistic Children, Louanne E. Boyd, Espen Garner, Ian Kim, Gianna Valencia Apr 2022

Cognality Vr: Exploring A Mobile Vr App With Multiple Stakeholders To Reduce Meltdowns In Autistic Children, Louanne E. Boyd, Espen Garner, Ian Kim, Gianna Valencia

Engineering Faculty Articles and Research

Many autistic children can have difficulty communicating, understanding others, and interacting with new and unfamiliar environments. At times they may suffer from a meltdown. The major contributing factor to meltdowns is sensory overwhelm. Technological solutions have shown promise in improving the quality of life for autistic children-however little exists to manage meltdowns. In this work with stakeholders, we design and deploy a low cost, mobile VR application to provide relief during sensory discomfort. Through the analysis of surveys from 88 stakeholders from a variety of groups (i.e., autistic adults, children with autism, parents of autistic individuals, and medical practitioners), we …

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Effects Of Electrode Shape On Lithiation Process Of Lithium-Ion Battery Electrodes, Shi-Wei Sun, Jian-Jun Nie, Yi-Cheng Song Apr 2022

Effects Of Electrode Shape On Lithiation Process Of Lithium-Ion Battery Electrodes, Shi-Wei Sun, Jian-Jun Nie, Yi-Cheng Song

Journal of Electrochemistry

This paper studies the influence of electrode shape on the lithiation process of lithium ion batteries. Both experimental observation and numerical simulation are employed to investigate the competitive interaction between the diffusion of lithium ions in both solid and liquid phases and the lithium intercalation reaction at the electrode surface. Experimental cells were prepared with the anode and cathode being placed parallel, leaving the latter embracing the former. An experimental device based on CCD camera was set up for in situ observation of electrode lithiation. The lithiation levels of the graphite anodes were estimated according to the observed color profile. …

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Machine Learning-Based Bridge Load Posting Prediction, Sai Naga Sasi Aditya Bandaru Apr 2022

Machine Learning-Based Bridge Load Posting Prediction, Sai Naga Sasi Aditya Bandaru

LSU Master's Theses

1600 (12%) of Louisiana's 13,000 bridges that allow the passage of people, goods, and services are load posted, meaning they are deemed incapable of securely carrying all legal loads. A machine learning framework for estimating the number of load-posted bridges within a regional bridge portfolio would be extremely valuable in the future for allocating essential resources during long-term planning. A framework of this type is necessary since a significant proportion of the bridges are load posted. Furthermore, deterioration due to aging and future increases in legal loads can compound this situation. In this setting, there is a lack of data-driven …

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Machine Learning-Based Bridge Load Posting Prediction, Sai Naga Sasi Aditya Bandaru Apr 2022

Machine Learning-Based Bridge Load Posting Prediction, Sai Naga Sasi Aditya Bandaru

LSU Master's Theses

1600 (12%) of Louisiana's 13,000 bridges that allow the passage of people, goods, and services are load posted, meaning they are deemed incapable of securely carrying all legal loads. A machine learning framework for estimating the number of load-posted bridges within a regional bridge portfolio would be extremely valuable in the future for allocating essential resources during long-term planning. A framework of this type is necessary since a significant proportion of the bridges are load posted. Furthermore, deterioration due to aging and future increases in legal loads can compound this situation. In this setting, there is a lack of data-driven …

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2021-2022 Program And Abstracts: Celebration Of Student Scholarship, Morehead State University. Undergraduate Research Fellowship Program. Apr 2022

2021-2022 Program And Abstracts: Celebration Of Student Scholarship, Morehead State University. Undergraduate Research Fellowship Program.

2022 Celebration of Student Scholarship - Poster Presentations

The 2021-2022 Program and Abstracts for the Celebration of Student Scholarship at Morehead State University held on April 27, 2022. A Showcase of Student Research, Scholarship, Creative Work, and Performance Arts.

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The Aiche Student Design Competition: Modular Distributed Gas-To-Liquids (Gtl) Synthesis, Abigail Bozarth, Jason Mote, Revathi Panuganti, Fausat Isu Apr 2022

The Aiche Student Design Competition: Modular Distributed Gas-To-Liquids (Gtl) Synthesis, Abigail Bozarth, Jason Mote, Revathi Panuganti, Fausat Isu

Honors Capstone Projects and Theses

No abstract provided.

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Design And Analysis Of A Pitch Controller For An Unstable Aircraft Using A Linear Quadratic Regulator, Marco Antonio Garcia Apr 2022

Design And Analysis Of A Pitch Controller For An Unstable Aircraft Using A Linear Quadratic Regulator, Marco Antonio Garcia

Honors Capstone Projects and Theses

No abstract provided.

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Inertially Stabilized Gimbal, Miranda Grace Bilbrey Apr 2022

Inertially Stabilized Gimbal, Miranda Grace Bilbrey

Honors Capstone Projects and Theses

No abstract provided.

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Optimizing Class Access - Owlgo, Matthew Pendley, Bright Uchehara, Renji Maliakal, Jorge Solorzano Apr 2022

Optimizing Class Access - Owlgo, Matthew Pendley, Bright Uchehara, Renji Maliakal, Jorge Solorzano

Senior Design Project For Engineers

This is the senior design project for Optimizing Class Access using OwlGo. The researcher examine the Marietta campus of Kennesaw State University, in hopes of improving the assigned class locations for each major.

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Sustainability In Web Development Through Energy Efficiency, Hannah Bebinger Apr 2022

Sustainability In Web Development Through Energy Efficiency, Hannah Bebinger

Honors Projects

As global internet usage expands, websites are growing in both size and complexity. Contrary to the common belief that the internet is immaterial and “environmentally friendly”, web pages have significant negative environmental impacts (Frick, 2015). Websites contribute to global greenhouse gas (GHG) emissions and electricity consumption. Considering the current climate crisis, it is crucial that web developers be aware of the impact that their work has on the environment and actively work to improve site energy efficiency. With a lack of regulation and awareness, the environmental impact of websites has remained unchecked despite growing concerns for sustainability. Further research and …

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Zintl Phase Compounds Mg3Sb2-XBiX (X=0, 1, And 2) Monolayers: Electronic, Phonon And Thermoelectric Properties From Ab Initio Calculations, Zheng Chang, Jing Ma, Kunpeng Yuan, Jiongzhi Zheng, Bin Wei, Mohammed Al-Fahdi, Yufei Gao, Xiaoliang Zhang, Hezhu Shao, Ming Hu, Dawei Tang Apr 2022

Zintl Phase Compounds Mg3Sb2-XBiX (X=0, 1, And 2) Monolayers: Electronic, Phonon And Thermoelectric Properties From Ab Initio Calculations, Zheng Chang, Jing Ma, Kunpeng Yuan, Jiongzhi Zheng, Bin Wei, Mohammed Al-Fahdi, Yufei Gao, Xiaoliang Zhang, Hezhu Shao, Ming Hu, Dawei Tang

Faculty Publications

The Mg3Sb2−xBix family has emerged as the potential candidates for thermoelectric applications due to their ultra-low lattice thermal conductivity (KL) at room temperature (RT) and structural complexity. Here, using ab initio calculations of the electron-phonon averaged (EPA) approximation coupled with Boltzmann transport equation (BTE), we have studied electronic, phonon and thermoelectric properties of Mg3Sb2−xBix (x = 0, 1, and 2) monolayers. In violation of common mass-trend expectations, increasing Bi element content with heavier Zintl phase compounds yields an abnormal change in KL in two-dimensional Mg3Sb …

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