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Articles 36421 - 36450 of 933509
Full-Text Articles in Entire DC Network
Lysosomes As Gatekeepers: How Lic1-Mediated Trafficking Regulates Angiogenesis And Vascular Morphogenesis, Dymonn Johnson
Lysosomes As Gatekeepers: How Lic1-Mediated Trafficking Regulates Angiogenesis And Vascular Morphogenesis, Dymonn Johnson
Arts & Sciences Graduate Student Theses and Dissertations
Dynein cytoplasmic 1 light intermediate chain 1 (LIC1, DYNC1LI1) is a core subunit of the dynein motor complex that plays a critical role in cytoplasmic cargo trafficking, including Rab-mediated endosomal recycling and lysosomal degradation. LIC1 interacts with various cargo adaptors, such as RILPL1 and RILPL2, to regulate these processes, and defects in this gene are predicted to impair dynein motor function, Rab binding, and lysosomal trafficking. Here, we identified a dync1li1 zebrafish mutant with a premature stop codon at the exon 12/13 splice acceptor site, that exhibits increased angiogenesis. In vitro, LIC1-deficient human endothelial cells show elevated cell surface levels …
The Voice Of Gods In Your Ear:: Becoming The Avatar In Immersive Performance, Misha Myers
The Voice Of Gods In Your Ear:: Becoming The Avatar In Immersive Performance, Misha Myers
School of Art, Design and Architecture
This chapter explores how immersion and participation are experienced and conjured through augmented reality (AR) technologies through the case study of the located and augmented reality-enabled performance Nobody’s Ocean. In the performance, audiences navigated the story-world of Homer’s The Odyssey augmented in the streets of Melbourne, Australia, through audio, visual and social media content facilitated by their smartphone. The chapter examines three relationships that distinguish immersion in AR-enabled performance: that between seamlessness and disruption, between place and narrative and between avatars and a sense of located embodiment. Nobody’s Ocean was performed in Melbourne 13-22 October 2016, directed by Misha Myers …
Nonprofit News Public Communication Data, Nik Usher
Nonprofit News Public Communication Data, Nik Usher
Communication: Faculty Scholarship
This is the link to the data for:
Nonprofit news outlets have emerged as potential solutions to the market failure of for-profit journalism, particularly in local news "deserts." However, it is unclear whether digital-first nonprofit news outlets themselves are articulating their distinct value proposition to a wider public. Using an original dataset of 336 nonprofit news outlets across 45 states and Washington, D.C., we analyzed digital-first news nonprofit websites to assess public communication strategies across different geographic scopes (local, state/regional, national/international) and coverage types (investigative, explanatory/analysis, news and events). We specifically assess the presence of impact statements, evidence of financial …
Rural Roots, Academic Roads: Exploring College Persistence Among Rural Students, Misty Wilburn
Rural Roots, Academic Roads: Exploring College Persistence Among Rural Students, Misty Wilburn
Electronic Theses and Dissertations
This study examines the financial and social challenges faced by first-generation college students from rural backgrounds as they transition from K-12 to four-year regional institutions. Using quantitative analysis of secondary data from the class of 2024 at a selected institution, this study examines factors influencing graduation rates and financial aid needs. Key metrics include geographic origins, high school backgrounds, academic assistance, and financial support. By highlighting these challenges, this study contributes to a deeper understanding of the structural and social barriers that first-generation rural students encounter.
Enumerating Escherichia Coli (E. Coli) Concentrations And Evaluating Optical Brighteners As A Potential Indicator Of Human Wastewater Contamination In La Nana Bayou, Banita Creek, And Their Tributaries, Nacogdoches, Texas, Swastika Acharya, Matthew Mcbroom, Yuhui Weng, Yanli Zhang
Enumerating Escherichia Coli (E. Coli) Concentrations And Evaluating Optical Brighteners As A Potential Indicator Of Human Wastewater Contamination In La Nana Bayou, Banita Creek, And Their Tributaries, Nacogdoches, Texas, Swastika Acharya, Matthew Mcbroom, Yuhui Weng, Yanli Zhang
Electronic Theses and Dissertations
La Nana Bayou was added to the Texas 303(d) list in 2000 after it failed to meet water quality standards set by the Texas Commission on Environmental Quality (TCEQ) for primary contact recreation due to elevated Escherichia coli (E. coli) levels. E. coli is a bacterial species commonly found in the intestines of humans and warm-blooded animals. It serves as an indicator of fecal contamination in freshwater, though its presence alone cannot identify the contamination source. Optical brighteners (OBs), chemicals found in laundry detergents, cleaning agents, toilet papers, and clothing, are unique to human wastewater. This study aimed …
Acute Toxicity Of Arsenate And Arsenite In Two Scleractinian Coral Species: Acropora Cervicornis And Orbicella Faveolata, Cailey Dorman
Acute Toxicity Of Arsenate And Arsenite In Two Scleractinian Coral Species: Acropora Cervicornis And Orbicella Faveolata, Cailey Dorman
All HCAS Student Capstones, Theses, and Dissertations
Inorganic arsenic (As), specifically arsenate (As(V)) and arsenite (As(III)) are well-documented toxicants to a range of marine organisms. However, their specific impacts on coral reef species remain largely unstudied. This study is the first to assess the acute and subacute toxicity of inorganic arsenic on two threatened scleractinian coral species, Acropora cervicornis and Orbicella faveolata. Corals were exposed for 96 hours to five analytically verified concentrations and a negative control of either arsenate or arsenite. Toxicity was evaluated through three endpoints: mortality (LC50), coral condition (EC50), and photosynthetic efficiency (IC50). The lethal concentrations to result in 50% mortality (LC50) …
Exploring The Lived Experiences Of Nurse Managers: Leadership Development And Competency Acquisition During Role Transition, Jasmine Yvette Mc Gee Williams
Exploring The Lived Experiences Of Nurse Managers: Leadership Development And Competency Acquisition During Role Transition, Jasmine Yvette Mc Gee Williams
Electronic Theses and Dissertations Archive
The transition from a clinical nursing role to a nurse manager position is often challenging and stressful. Nurse managers are expected to possess a complex set of leadership competencies; however, many feel unprepared and unsupported during this critical transition. This qualitative interpretive study explored the lived experiences of nurse managers in relation to their leadership development and competency acquisition within the hospital setting, focusing on challenges and successes encountered during the transition into the nurse manager role. Using Interpretive Phenomenological methodology, semi-structured interviews were conducted with 22 nurse managers from various hospital settings across the United States. Two areas of …
Experimental Investigation Of Strongly Coupled Finite Clusters In Two-Dimensional Dusty (Complex) Plasma, Ravi Kumar
Experimental Investigation Of Strongly Coupled Finite Clusters In Two-Dimensional Dusty (Complex) Plasma, Ravi Kumar
Electronic Theses and Dissertations Archive
Dusty plasma, also known as Complex plasma, are ionized gases containing nanometers – to – micrometers sized particles (often referred as dust). The dust particles instantaneously get negatively charged due to high-mobile electrons present in the background plasma. These charged dust particles confined in a planar (two-dimensional) geometry interact through long-range forces (screened-Coulomb) exhibiting strongly coupled behavior, analogous to those in condensed matter and real 2D materials. This makes complex plasmas an ideal experimental platform to investigate the fundamental classical dynamics of strongly coupled many-body systems, such as phase transitions, configurational and thermodynamic properties. In condensed matter the direct observation …
The Impact Of Othermothering On Black Male Persistence In The Hbcu Context, Terrance D. Pryor
The Impact Of Othermothering On Black Male Persistence In The Hbcu Context, Terrance D. Pryor
Electronic Theses and Dissertations Archive
Black male students in higher education continue to face disproportionate challenges to their academic persistence and success, often navigating institutions that marginalize their identities and potential. Within Historically Black Colleges and Universities (HBCUs), Black women faculty, staff, and administrators have historically served as vital pillars of support—embodying the practice of Othermothering, a culturally rooted, communal form of care and mentorship. This dissertation investigates how Othermothering shapes the persistence trajectories of Black male undergraduates at an HBCU, illuminating a relational pedagogy that sustains and empowers students often underserved by dominant educational paradigms. Grounded in African American Male Theory (AAMT), the concept …
Transcription Fidelity In The Face Of Oxidative Damage, Eastilan Gyiwah Appiah
Transcription Fidelity In The Face Of Oxidative Damage, Eastilan Gyiwah Appiah
Theses and Dissertations
It is very important that the process of transcription is correctly carried out in the cell for the faithful expression of the genetic code. However, should mistakes happen, they can result in transcription errors which interfere with the protein-making machinery of the cell. This will result in accumulation of proteins and dysfunctional proteins that have the potential of causing diseases like Alzheimer’s. Oxidative damage caused by hydrogen peroxide is known to cause transcription errors in organisms like yeast. It is therefore important to investigate the extent to which hydrogen peroxide can damage cells.
Fungal Resistance Of Citric Acid Crosslinked Chitosan Treated Wood, Samuel Jacob Barton
Fungal Resistance Of Citric Acid Crosslinked Chitosan Treated Wood, Samuel Jacob Barton
Theses and Dissertations
Chitosan (CH), a linear polysaccharide biopolymer derived from chitin, is known for its antimicrobial and antifungal properties. However, its natural hydrophilicity limits its application as a wood preservative. This study explores the crosslinking of chitosan with citric acid (CA) to improve its stability and hydrophobicity, aiming to enhance its efficacy as a wood preservative. The study investigates fungal resistance against Gloeophyllum trabeum (brown-rot) and Trametes versicolor (white-rot) fungi using the AWPA E-10 soil block test for pine and gum samples vacuum-treated and dip-treated with CH-CA concentrations (CH 6%/CA 3%, CH 4%/CA 3%, CH 2%/CA 3%, and CH 1.5%/CA 3%). The …
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 …
Creating A Framework For Offering Alternative Credentials At Mississippi State University, Marian Montgomery Chancellor
Creating A Framework For Offering Alternative Credentials At Mississippi State University, Marian Montgomery Chancellor
Theses and Dissertations
As workforce demands evolve and learners seek more flexible, skills-focused education options, Mississippi State University’s College of Professional and Continuing Studies (CPCS) must innovate to remain responsive and competitive. This capstone project explores how MSU can design and implement a scalable framework for micro-credentials that align with employer needs, faculty expertise, and adult learner goals. Grounded in qualitative research, including interviews with faculty and industry leaders, the study identifies key workforce gaps—particularly in communication, leadership, and technical skills—and outlines a 6-stage development lifecycle for credential creation. Findings emphasize the importance of industry collaboration, applied learning, and policy support. The resulting …
Regulating Artificial Intelligence In The U.S.: A Historical-Innovation-Inspired Framework, Di Kevin Gao
Regulating Artificial Intelligence In The U.S.: A Historical-Innovation-Inspired Framework, Di Kevin Gao
Theses and Dissertations
The emergence of OpenAI\textquotesingle s ChatGPT has marked the dawn of a new Artificial Intelligence (AI) era, unleashing a wave of user excitement, moral panic, and apocalyptic warnings. Yet, these concerns have done little to slow the breakneck pace of AI development and deployment. Should the United States adopt the European Union\textquotesingle s top-down, legislation-first approach, or follow the United Kingdom\textquotesingle s bottom-up, court-driven model? This research draws from historical legislative parallels in the U.S. By examining past regulatory frameworks for disruptive technologies, including electricity, automobiles, the telephone, broadband internet, nuclear technology, cryptocurrency, commodity futures, modern pharmaceuticals, and social media, …
Understanding How Nws Meteorologists Tailor Hazardous Weather Messaging To Core Partners And Identify Local Vulnerabilities, Allison Camille Harvey
Understanding How Nws Meteorologists Tailor Hazardous Weather Messaging To Core Partners And Identify Local Vulnerabilities, Allison Camille Harvey
Theses and Dissertations
Over the past few decades, the National Weather Service (NWS) has continued to improve impact-based decision support services (IDSS) efforts to strengthen communication with core partners. This study addressed how a new spatially hazard-specific vulnerability tool called the Brief Vulnerability Overview Tool (BVOT) may impact how NWS meteorologists tailor messaging to their core partners. It was found that relationship building between NWS meteorologists and core partners is key to enhancing trust, especially during blue sky days. This was done by learning core partners’ needs, thresholds, and communication styles when presenting weather information. Core partners also noticed cues from NWS meteorologists …
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 …
Tabletop Role-Playing Games As A Therapeutic Intervention: Translating Ttrpgs To Therapy, Joanne Adelle Hillerman
Tabletop Role-Playing Games As A Therapeutic Intervention: Translating Ttrpgs To Therapy, Joanne Adelle Hillerman
Theses and Dissertations
The purpose of this study was to examine the aspects of tabletop role-playing games, or TTRPGs, that are appealing to therapists, aspects of TTRPGs that may be challenging for therapists to implement, and to identify outside factors that may associated with therapists’ interest in using TTRPGs. This study used the technology acceptance model (Davis, 1989) as a theoretical framework. A sample of therapists and mental health workers (N = 102) answered survey questions on their perceptions of the ease-of-use and usefulness of TTRPGs in therapy, their likelihood to use TTRPGs in therapy, and additional items measuring outside influences on their …
Topnet R1: A Multi-Stage Ai Framework For Topic Discovery In Scientific Abstracts, Md Elias Hossain
Topnet R1: A Multi-Stage Ai Framework For Topic Discovery In Scientific Abstracts, Md Elias Hossain
Theses and Dissertations
Scientific abstracts are rich sources of knowledge, yet extracting meaningful topics remains challenging due to limitations in existing topic modeling techniques. Traditional methods often struggle with interpretability, scalability, and contextual understanding. To overcome these issues, we introduce TopNet R1, a multi-stage ensemble framework that integrates traditional topic models with contextual embeddings from Bidirectional Encoder Representations from Transformers (BERT) and Generative Pre-trained Transformer 4 (GPT-4) large language models (LLMs). Top- Net R1 operates in three phases: (1) topic generation using Latent Dirichlet Allocation (LDA), Non-Negative Matrix Factorization (NMF), Latent Semantic Analysis (LSA), and Hierarchical Dirichlet Process (HDP); (2) LLM-assisted pattern recognition …
Documenting Children’S Use, Physical Activity, And Social Play In Tom Lee Park’S Playscape, Laurel Kelton
Documenting Children’S Use, Physical Activity, And Social Play In Tom Lee Park’S Playscape, Laurel Kelton
Theses and Dissertations
The benefits of nature and physical activity on children’s health and development are well documented. However, many children lack access to nature and physical activity. Researchers have found that “innovative playgrounds” —which, by definition, are more likely to include natural elements that facilitate nature immersion— are associated with increased physical activity and duration of stay. This thesis is a case study of a public innovative playground at Tom Lee Park. It sought to understand the playground’s areas and physical characteristics that have higher levels of use, physical activity, and social play and longer durations of stay. Data was collected over …
Impact Of Buffered Dry Vinegar And Fermented Onion Juice On The Quality And Shelf-Life Of Fresh Pork Breakfast Sausage, Emily M. Little
Impact Of Buffered Dry Vinegar And Fermented Onion Juice On The Quality And Shelf-Life Of Fresh Pork Breakfast Sausage, Emily M. Little
Theses and Dissertations
The demand for clean-label meat products has increased interest in natural alternatives to synthetic antioxidants and antimicrobials. This study evaluated the effects of buffered dry vinegar (BDV), fermented onion juice (FOJ), and their combination (CMB) on microbial stability and sensory quality of pork sausage during 9 days of refrigerated storage. Sausages were assigned to control, FOJ (0.5%), BDV (0.5%), or CMB (0.25% each) treatments. BDV and CMB significantly reduced aerobic and psychrotrophic counts by days 7-9, while yeast increased across all treatments over time, reaching ~7 Log CFU/g by day 9. Sensory analysis revealed lower oxidation and off-note intensity in …
Finite Element Modeling Of Plasma Membrane Injury From Mechanical Stress: A Combined Finite Element And Machine Learning Approach, Eric Flynn Mabowitz
Finite Element Modeling Of Plasma Membrane Injury From Mechanical Stress: A Combined Finite Element And Machine Learning Approach, Eric Flynn Mabowitz
Theses and Dissertations
Low back pain is a leading cause of disability across a wide range of occupations and environments. Exposure to whole-body vibration (WBV) has been linked to an increased prevalence of low back pain, as well as certain neurophysiological complications. While current understanding of WBV effects is largely based on tissue- and whole-body-level studies, a significant gap remains in knowledge regarding how vibrational forces propagate through individual cells. This knowledge gap limits a comprehensive understanding of how these forces affect the human body at the microscopic level. To address this, the present study employs both two-dimensional (2D) and three-dimensional (3D) finite …
Older Adult Men’S Well-Being: The Impact Of Masculinity And Negative Perceptions Of Aging, Darby D. Mackenstadt
Older Adult Men’S Well-Being: The Impact Of Masculinity And Negative Perceptions Of Aging, Darby D. Mackenstadt
Theses and Dissertations
Stereotype embodiment theory states that individuals who hold negative aging stereotypes may internalize them, and thus view their own aging process as negative. This study aimed to evaluate how older adult men may be influenced by their adherence to masculinity standards, such as men are expected to be strong and independent, in older adulthood. A sample of 438 men aged 55 and older living in the southern United States was analyzed, finding that beliefs of masculinity moderated the relationship between negative perceptions of aging and depression. Participants who reported a high adherence to masculinity beliefs and a negative perception of …
Synthetic Mrna Induced Tf1.17-Specific Antibody Response Against Tritrichomonas Foetus For Preputial Delivery In Bulls, Kenzie Mcatee
Synthetic Mrna Induced Tf1.17-Specific Antibody Response Against Tritrichomonas Foetus For Preputial Delivery In Bulls, Kenzie Mcatee
Theses and Dissertations
Bovine trichomoniasis, caused by Tritrichomonas foetus, remains a persistent reproductive disease in cattle due to asymptomatic carriage in bulls and lack of effective treatments. This thesis evaluated the use of synthetic mRNA to drive expression of TF1.17- specific antibodies, targeting a conserved surface adhesin essential for parasite colonization. Membrane-anchored and secreted IgG1 constructs were transfected into bovine kidney cells, resulting in time-dependent antibody expression verified via NanoLuc luminescence. In vivo, aerosolized mRNA administration to bull calves led to localized antibody expression in preputial secretions. Although immunofluorescence assays detected fluorescence signal, high background limited interpretation of specific binding to T. foetus. …
Sweetpotato Insect Pests: Virus Vector Management And Rearing, Rachel Emily Morrison
Sweetpotato Insect Pests: Virus Vector Management And Rearing, Rachel Emily Morrison
Theses and Dissertations
Sweetpotatoes (Ipomoea batatas) are vegetatively propagated through slips, making them prone to viral buildup. Aphids are insect pests known for transmitting viruses to crops, which reduces yield. This study examined different options for aphid management to reduce the spread of potyviruses: crop borders, crop oils, and insecticides. However, the results of this research showed that treatments were not successful at reducing the spread of the four potyviruses tested. An additional objective was to establish a colony of banded cucumber beetles (Diabrotica balteata) in the laboratory. These beetles are a leaf-feeding and root-feeding pest of sweet potatoes. Two colonies of banded …
Spawning And Rearing Techniques For Improved Production Of White Crappie (Pomoxis Anularis), Matthew E. Nichols
Spawning And Rearing Techniques For Improved Production Of White Crappie (Pomoxis Anularis), Matthew E. Nichols
Theses and Dissertations
White Crappie (Pomoxis annularis) is a popular species, commonly propagated in hatcheries to support fisheries and supplement natural populations during cyclical declines. However, limited information exists regarding the effects of extended broodstock holding periods (>4 weeks), which are critical for enhancing flexibility in hatchery practices. Furthermore, rearing larval-to-juvenile crappie in outdoor ponds would greatly benefit from optimized fertilization and stocking densities to improve growth and survival rates. Additionally, dietary preferences during early life stages remain poorly understood, yet are essential for maximizing production efficiency. This study found holding broodstock for > 6 weeks can significantly reduce fertilization percentages. We also …
Mastering Skills Together: Effects Of Video Modeling On Parent-Implemented Academic Intervention, Chelsea S. Thorpe
Mastering Skills Together: Effects Of Video Modeling On Parent-Implemented Academic Intervention, Chelsea S. Thorpe
Theses and Dissertations
Reading proficiency is a fundamental skill for academic success and long-term developmental outcomes. Yet, despite ongoing efforts to strengthen literacy education, a significant number of students continue to face reading difficulties that hinder comprehension, critical thinking, and overall academic achievement. National data demonstrate the urgency of this issue. The 2024 National Assessment of Educational Progress (NAEP) reported that 40% of fourth-grade students and 33% of eighth-grade students scored below the Basic level in reading, marking the highest rate on record for eighth graders. Early reading challenges can often lead to other academic and psychosocial challenges such as low achievement, low …
Academics Vs Athletics: Prioritizing The Students In Student-Athletes And The Importance Of Their Return To The Classroom, Stephen Walker
Academics Vs Athletics: Prioritizing The Students In Student-Athletes And The Importance Of Their Return To The Classroom, Stephen Walker
Theses and Dissertations
The Mississippi High School Activities Association (MHSAA) aims to enhance student- athletes' educational experiences but Law 6.5.1 inadvertently causes students to miss 300 hours of academic instruction annually. This dilemma forces school districts to choose between robust sports programs and rigorous academic schedules, ultimately creating a disadvantage for students. While participation in sports has been linked to improved academic performance, the current structure disproportionately allocates resources to athletics over academics, with only 51% of schools offering after-school academic programs compared to 77% for sports. This paper discusses the benefits of sports, including higher attendance and graduation rates, but also highlights …
Bridging Physics And Machine Learning: Physics-Informed Neural Networks (Pinn) For Wire-Arc Additive Manufacturing (Waam) Thermal Prediction, Haiye (Justin) Xie
Bridging Physics And Machine Learning: Physics-Informed Neural Networks (Pinn) For Wire-Arc Additive Manufacturing (Waam) Thermal Prediction, Haiye (Justin) Xie
Theses and Dissertations
Over the past decade, additive manufacturing (AM) has gained substantial use in industry and research. It is a promising alternative to traditional subtractive and casting manufacturing. AM not only saves time and materials but can also construct intricate structures within components for specific purposes. Wire-Arc Directed Energy Deposition (WA-DED) is one of the additive manufacturing technologies that offers a high extrusion rate of metal wire materials to fabricate near-net-shape metal components. Accurate temperature control is crucial for controlling the microstructure of metal components fabricated through the AM process. Machine learning has the ability to analyze real-time sensor data, such as …
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 …