Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Discipline
-
- Environmental Sciences (999)
- Earth Sciences (768)
- Life Sciences (631)
- Engineering (625)
- Oceanography and Atmospheric Sciences and Meteorology (587)
-
- Water Resource Management (547)
- Fresh Water Studies (531)
- Chemistry (453)
- Computer Sciences (418)
- Physics (358)
- Social and Behavioral Sciences (344)
- Soil Science (258)
- Geology (257)
- Hydrology (183)
- Plant Sciences (167)
- Medicine and Health Sciences (160)
- Sustainability (143)
- Organic Chemistry (142)
- Agronomy and Crop Sciences (134)
- Education (134)
- Electrical and Computer Engineering (119)
- Statistics and Probability (118)
- Astrophysics and Astronomy (116)
- Natural Resources and Conservation (106)
- Artificial Intelligence and Robotics (105)
- Ecology and Evolutionary Biology (99)
- Materials Science and Engineering (93)
- Environmental Monitoring (90)
- Graphics and Human Computer Interfaces (90)
- Keyword
-
- Arkansas (178)
- Applied sciences (143)
- Pure sciences (135)
- Earth sciences (133)
- Water quality (115)
-
- Biological sciences (69)
- Social sciences (40)
- Health and environmental sciences (37)
- Rice (37)
- Water quality monitoring (36)
- Sustainability (35)
- Phosphorus (28)
- Mars (27)
- Machine learning (26)
- Climate change (25)
- Groundwater (25)
- Irrigation (25)
- Machine Learning (24)
- Pollution (24)
- Cybersecurity (20)
- Graphene (20)
- Nitrogen (20)
- Geology (19)
- Soil (19)
- Water monitoring (19)
- Water quality sampling (19)
- Algae (18)
- Ground water (18)
- Stratigraphy (18)
- Water (18)
- Publication Year
- Publication
-
- Graduate Theses and Dissertations (1240)
- Journal of the Arkansas Academy of Science (564)
- Arkansas Water Resources Center Technical Reports (367)
- Computer Science and Computer Engineering Undergraduate Honors Theses (98)
- Chemistry & Biochemistry Faculty Publications and Presentations (84)
-
- Physics Faculty Publications and Presentations (69)
- Discovery, The Student Journal of Dale Bumpers College of Agricultural, Food and Life Sciences (46)
- Geosciences Faculty Publications and Presentations (45)
- Inquiry: The University of Arkansas Undergraduate Research Journal (42)
- Data Science Undergraduate Honors Theses (33)
- Crop, Soil and Environmental Sciences Undergraduate Honors Theses (32)
- Arkansas Agricultural Experiment Station Research Series (29)
- Chemistry & Biochemistry Undergraduate Honors Theses (27)
- Physics Undergraduate Honors Theses (26)
- Crop, Soil and Environmental Sciences Faculty Publications and Presentations (24)
- Computer Science and Computer Engineering Faculty Publications and Presentations (23)
- Mechanical Engineering Undergraduate Honors Theses (20)
- Electrical Engineering and Computer Science Faculty Publications and Presentations (19)
- Electrical Engineering and Computer Science Undergraduate Honors Theses (19)
- Biological and Agricultural Engineering Faculty Publications and Presentations (18)
- Chemical Engineering Faculty Publications and Presentations (17)
- Chemical Engineering Undergraduate Honors Theses (15)
- Biological and Agricultural Engineering Undergraduate Honors Theses (14)
- Mathematical Sciences Faculty Publications and Presentations (14)
- Biological Sciences Undergraduate Honors Theses (13)
- Industrial Engineering Undergraduate Honors Theses (13)
- Mathematical Sciences Undergraduate Honors Theses (12)
- 2026 Research Poster Competition (11)
- University Libraries Faculty Publications and Presentations (11)
- Wal-Mart Sustainability Case Project (10)
- Publication Type
- File Type
Articles 151 - 180 of 3135
Full-Text Articles in Physical Sciences and Mathematics
Evidence Of Backwater Morphodynamics In Stratigraphy On Earth And Mars: Implications For Ancient Mars, Cory Mitchell Hughes
Evidence Of Backwater Morphodynamics In Stratigraphy On Earth And Mars: Implications For Ancient Mars, Cory Mitchell Hughes
Graduate Theses and Dissertations
Geologic evidence indicates that liquid water once flowed in abundance across the martian surface. For this reason, in the search for evidence of extraterrestrial life, Mars represents a prime target for scientific inquiry. River systems encode climatic and environmental signals in their deposits on Earth and Mars, often in fan-shaped landforms (e.g., alluvial fans, river deltas, etc.). Distal fan-shaped deposits (i.e., river deltas), in particular, act as a relatively high-fidelity record of dynamic geologic processes. As such, NASA frequently sends rovers to locations on Mars’ surface with hypothesized river deltas (e.g., Perseverance and Jezero crater). Problematically, there are many different …
Solar Powered Conservation: The Effects Of Solar Photovoltaic Facilities On Avian Community Composition, Michael Christopher Ferrara
Solar Powered Conservation: The Effects Of Solar Photovoltaic Facilities On Avian Community Composition, Michael Christopher Ferrara
Graduate Theses and Dissertations
The expansion of solar photovoltaic energy infrastructure is transforming landscapes worldwide. Increasingly, facilities are planted with native vegetation, yet how vegetation characteristics and landscape variables shape wildlife communities in solar facilities remains poorly understood. Because avian populations have been in decline and are sensitive to habitat changes, understanding how solar facilities influence avian communities is important. In Chapter 1, we used autonomous recording units, local vegetation measurements, and land use and land cover data to quantify how avian community occupancy is influenced by solar cover in solar facilities and comparable reference sites. We used a Bayesian multi-species occupancy model to …
Towards Vision-Brain Understanding At Scales: From Classical To Quantum Machine Learning Approaches, Xuan-Bac Nguyen
Towards Vision-Brain Understanding At Scales: From Classical To Quantum Machine Learning Approaches, Xuan-Bac Nguyen
Graduate Theses and Dissertations
In recent years, large-scale learning approaches such as unsupervised and self-supervised learning have revolutionized artificial intelligence. These methods enable machines to learn high-level representations without explicit human supervision, achieving remarkable success across vision, language, and multimodal tasks. However, such advances come at a cost—they rely on massive datasets, billions of parameters, and extensive computational resources. Despite these achievements, artificial systems still fall short of the remarkable learning efficiency of the human brain, which can infer, adapt, and generalize from limited experiences. This gap motivates a deeper exploration of how biological intelligence acquires knowledge and how these principles can inspire the …
Updating The Surface Geological Maps In The Boston Mountains Region Of Arkansas Using Subsurface Well Log Correlation And Lidar Mapping, Olivia Smith
Graduate Theses and Dissertations
The Pennsylvanian Atoka Formation are the primary surface outcrops of the Boston Mountains in northwest Arkansas. Where fully preserved in the Arkoma Basin to the south, the Atoka Formation exceeds 18,000 feet of sandstone and shale. It is mapped as a single “undifferentiated” unit on the surface geological map of Arkansas. This project correlates ten subsurface subdivisions of the Atoka Formation plus the Desmoinesian to the surface outcrops of the southern Boston Mountains. This produced a higher resolution surface map beyond the current Atoka Undifferentiated scheme. Recognition of the Atoka Formation subdivisions in surface outcrops using standard lithostratigraphic and biostratigraphic …
Novel Radical Chemistry Of Electron-Rich Double Bonds, Claire Allyson Beard
Novel Radical Chemistry Of Electron-Rich Double Bonds, Claire Allyson Beard
Graduate Theses and Dissertations
This work delves into the reactivity of nucleophilic N-heterocyclic carbenes (NHCs) and their ability to form electron-rich alkene intermediates, which can undergo various chemical transformations depending on the nature of the electrophile. Initial reports by Hahn disclosed the NHC promoted radical nature of electron-rich N,N’-benzyltetraazafulvalenes, which led to 2,2’- biimidazoles. We found that N-aryl substituted pyridinium salts also underwent rapid a similar NHC promoted dimerization when exposed to a base, producing 2,2’-bipyridyls. This is likely due to the adept radical nature of the bipyridinylidene intermediate for C-Naryl bond scission. We have also uncovered an unprecedented C-N bond scission of Breslow-like …
Ring-Opening And Monofunctionalization Study On Spiro Cyclic Aminals And N, O-Acetals System Via Nitrogen-Centered Radical Intermediates, Chujun Zhou
Graduate Theses and Dissertations
The nitrogen-centered radical has been drawing increasing attention among researchers. Radical polarity is one of the key factors in studying nitrogen-centered radicals’ reactivity, and the functional groups attached to the nitrogen atom are of vital importance. Among different types of nitrogen-centered radicals, aminium radical and metal aminium radical are electrophilic due to the positive charge on the intermediate. The sulfonamide radical, amidyl radical, and cyanide amine radical are also electrophilic since the nitrogen is adjacent to electron electron-withdrawing group. The neutral amino radical, iminyl radical, masked nitrogen radical are nucleophilic because of the electron-donating groups. After classifying the nitrogen-centered radical, …
Multiple Aspects Of Environmental Temperature Have Complex Interactions With Avian Parental Behavior To Influence Offspring Outcomes, William H. Kirkpatrick
Multiple Aspects Of Environmental Temperature Have Complex Interactions With Avian Parental Behavior To Influence Offspring Outcomes, William H. Kirkpatrick
Graduate Theses and Dissertations
Anthropogenic climate change is projected to shift not only average temperatures across the globe, but also the amount of thermal variation experienced in the natural environment. Exposure to shifts in averages and a wider range of thermal experiences will cause shifts in wildlife behavior. In avian species, behaviors exhibited during reproduction have implications for the well-being of their offspring. Here, I explore specific incubation behaviors in four species: Scaled Quail (Callipepla squamata), Northern Bobwhite Quail (Colinus virginianus), Tree Swallows (Tachycineta bicolor), and Eastern Bluebirds (Sialia sialis). I examined constancy, or the percentage of time on the nest, and off-bout duration, …
Two Topics In Survival Analysis: Restricted Distance Covariance Test For Non-Proportional Hazard And A New Estimation For Dropout Rate, Ruizhe Yin
Graduate Theses and Dissertations
When treatment effects change over time, standard statistical methods, such as the log-rank test and the Cox proportional hazards model, may give misleading results. This dissertation presents the restricted distance covariance (rdcov) test, a nonparametric method that compares survival curves between groups within a chosen study period [0, τ] using right censored data. The statistic measures the dependence between pre-specified group labels and survival times using pairwise distances from Kaplan-Meier estimates. Our method does not rely on the proportional hazards assumption, and it equals zero only when survival functions are identical across groups. Thus, this test can be applied to …
Few-Shot Anomaly Detection And Classification Through Reinforced Data Selection With A Combinatorial Reward, Xiaolei Hn, Depeng Xu, Shuhan Yuan, Xintao Wu
Few-Shot Anomaly Detection And Classification Through Reinforced Data Selection With A Combinatorial Reward, Xiaolei Hn, Depeng Xu, Shuhan Yuan, Xintao Wu
Electrical Engineering and Computer Science Faculty Publications and Presentations
Due to the scarcity of anomalies, deep anomaly detection models are typically trained in an unsupervised or semi-supervised manner, depending on the availability of a small number of labeled samples. Currently, most unsupervised approaches detect anomalies by identifying the deviant patterns from normal samples, and some semi-supervised studies also use labeled anomalies to improve performance. However, few studies have focused on how to take advantage of potential anomalies in an easily obtained and large-scale unlabeled dataset. Meanwhile, in a semi-supervised setting, although we assume there will be a small number of labeled anomalies, the task of anomaly classification is under-exploited, …
A Practical Framework For Integrating Basic Separation Techniques With Molecular Quantification To Extract And Monitor Antibiotic Resistance Genes In Water Samples, Amani Jereb, Celestene Adrianne Sebag, Asmaa Sadoon, Diksha Shrestha, Mary Savin, Wen Zhang, Yong Wang
A Practical Framework For Integrating Basic Separation Techniques With Molecular Quantification To Extract And Monitor Antibiotic Resistance Genes In Water Samples, Amani Jereb, Celestene Adrianne Sebag, Asmaa Sadoon, Diksha Shrestha, Mary Savin, Wen Zhang, Yong Wang
Physics Faculty Publications and Presentations
Antibiotic resistance of harmful microorganisms is recognized as a serious threat to human and animal health, which is worsened by the dissemination of antibiotic resistance genes (ARGs). However, it remains challenging to identify ARGs in water samples and to distinguish intracellular (iARGs) and extracellular ARGs (eARGs). In this work, we present a feasibility study to use simple, practical methodologies to extract and distinguish ARGs in water samples using both filtration and centrifugation, followed by quantification using qPCR. Using both synthetic water samples and lake water samples, we demonstrated that the workflow reliably detected and quantified ARGs in synthetic samples. In …
Phase Equilibria Modeling Constraints On Channel Flow Of Metasedimentary Crust Beneath The Southeastern Tibetan Plateau, Govind Joshi, Gregory Dumond
Phase Equilibria Modeling Constraints On Channel Flow Of Metasedimentary Crust Beneath The Southeastern Tibetan Plateau, Govind Joshi, Gregory Dumond
Geosciences Faculty Publications and Presentations
Lower crust of the southeastern Tibetan Plateau includes 100 s of km2-scale zones of low resistivity at 20-40 km-depths indicating the presence of melt +/- fluid +/- graphite. These zones coincide with interconnected zones of low shear wave velocity. Data from central and southeastern Tibet support the occurrence of meta-sedimentary felsic granulites in the lower crust along a backarc-like geothermal gradient. Phase equilibria modeling of average metasedimentary pelite and greywacke bulk compositions constrained by these geophysical data explored the impact of partial melting on shear wave velocity for a range of fluid content. Low shear wave velocities beneath southeastern Tibet …
An Integrated Ca–Markov Modeling Framework For Forecasting Land Use And Land Cover Dynamics In Arkansas, Usa, Rasool Vahid, Mohamed H. Aly
An Integrated Ca–Markov Modeling Framework For Forecasting Land Use And Land Cover Dynamics In Arkansas, Usa, Rasool Vahid, Mohamed H. Aly
Environmental Dynamics Faculty Publications and Presentations
Land use and land cover (LULC) changes significantly shape urban environments and directly impact ecological and socioeconomic systems. This study aims to explore these interconnections by employing the Cellular Automata–Markov (CA–Markov) model to assess and predict LULC dynamics in Arkansas. Historical LULC datasets from 2001 to 2021, obtained from the National Land Cover Database, were simplified from 11 into 5 classes to facilitate analysis and effectively map transitions. The model was validated by predicting LULC for 2016 and 2021 and comparing the predictions with the real maps, achieving an overall accuracy of approximately 91.9%, using model validation metrics, including precision, …
Multiplexed Integrin Detection And Cancer Cell Classification Using Multicolor Gap-Enhanced Gold Nanorods And Machine Learning Algorithm, Suprava Shah, Reed Youngerman, Alberto Luis Rodriguez-Nieves, Mitchell Lee Taylor, William Rodney Bantom, David Thompson, Jingyi Chen, Yongmei Wang, Xiaohua Huang
Multiplexed Integrin Detection And Cancer Cell Classification Using Multicolor Gap-Enhanced Gold Nanorods And Machine Learning Algorithm, Suprava Shah, Reed Youngerman, Alberto Luis Rodriguez-Nieves, Mitchell Lee Taylor, William Rodney Bantom, David Thompson, Jingyi Chen, Yongmei Wang, Xiaohua Huang
Chemistry & Biochemistry Faculty Publications and Presentations
Integrins, cell-surface adhesion receptors involved in tumor progression, invasion, and metastasis, serve as crucial biomarkers for cancer diagnosis and therapeutic targeting. Multiplexed detection of integrins and cancer cell classification at the single-cell level allows for comprehensive profiling, facilitating precise identification and categorization of tumor cells that are heterogeneous in integrin expression and cell subtype. In this study, we developed a five-plex detection platform and demonstrated integrin profile for cancer cell classification leveraging surface-enhanced Raman scattering (SERS) with gap-enhanced gold nanorods (GENRs) in conjunction with advanced computational analysis. Specifically, we synthesized GENRs bearing five distinct Raman nanotags, each producing a unique …
A Revised Chronostratigraphy Of The Triassic-Jurassic Moenave Formation, Western Usa: Implications For Timing Of Continental Climate Change, Celina A. Suarez, Glenn R. Sharman, Jordan Oefinger, Asher Rea Boudreaux, Dennis Mmasa, James L. Crowley, Michael T. Mohr, Adam D. Marsh, Andrew R.C. Milner, Lisa E. Park Boush
A Revised Chronostratigraphy Of The Triassic-Jurassic Moenave Formation, Western Usa: Implications For Timing Of Continental Climate Change, Celina A. Suarez, Glenn R. Sharman, Jordan Oefinger, Asher Rea Boudreaux, Dennis Mmasa, James L. Crowley, Michael T. Mohr, Adam D. Marsh, Andrew R.C. Milner, Lisa E. Park Boush
Geosciences Faculty Publications and Presentations
The Moenave Formation of the Colorado Plateau region of western USA preserves the Triassic-Jurassic transition, a time period that saw one of the most significant climate disruptions in Earth's history. During this time, major carbon (C)-cycle perturbations due to carbon release from the emplacement of the Central Atlantic Magmatic Province (CAMP) caused rapid climate change prompting the end-Triassic mass extinction (ETE). Here we present a Bayesian agemodel generated from new C-isotope chemostratigraphic records paired with highprecision detrital zircon U-Pb geochronology to constrain the stratigraphic placement of the ETE and Triassic-Jurassic boundary within the Moenave Formation. Maximum depositional ages of detrital …
Geometry And Analysis Of The Grusin Operator, Gustavo Hoepfner, Andrew Raich
Geometry And Analysis Of The Grusin Operator, Gustavo Hoepfner, Andrew Raich
Mathematical Sciences Faculty Publications and Presentations
In this paper we introduce a new technique for analyzing the heat kernel associated to the Grusin Laplacian. We prove pointwise estimates for arbitrary derivatives of the Grusin heat kernel and the resolvent in terms of the control distance associated with the Grusin operator. Our technique is based on the globalL(1)-Gevrey method.
Chemistry And Biochemistry Affiliated Publications: Snapshot Of The Research Publications 2019-2024., Jeremy J. Smith, Lutishoor Salisbury
Chemistry And Biochemistry Affiliated Publications: Snapshot Of The Research Publications 2019-2024., Jeremy J. Smith, Lutishoor Salisbury
University Libraries Faculty Publications and Presentations
This report highlights the chemistry and biochemistry faculty publications for the period 2019-2024. It includes tables identifying the types of publications, the characteristics of the authors, inter-departmental and external cooperation, summary of the citations of the publications, and the JCR ranking of the journals in which they published.
Ge0.95sn0.05 On Si Avalanche Photodiode With Spectral Response Cutoff At 2.14 Μm, Justin Michael Rudie, Xiaoxin Wang, Rajesh Kumar, Grey Abernathy, Sylvester Amoah, Steven Akwabli, Hryhorii Stanchu, Perry C. Grant, Bao-Hua Li, Wei Du, Jifeng Liu, Shui-Qing Yu
Ge0.95sn0.05 On Si Avalanche Photodiode With Spectral Response Cutoff At 2.14 Μm, Justin Michael Rudie, Xiaoxin Wang, Rajesh Kumar, Grey Abernathy, Sylvester Amoah, Steven Akwabli, Hryhorii Stanchu, Perry C. Grant, Bao-Hua Li, Wei Du, Jifeng Liu, Shui-Qing Yu
Electrical Engineering and Computer Science Faculty Publications and Presentations
GeSn-based avalanche photodiode operating in shortwave infrared wavelength was demonstrated in this work. A separate absorption and charge multiplication structure was employed to take advantage of long wavelength absorption in GeSn and low impact ionization ratio of Si. Due to lattice mismatch between Si and GeSn that would degrade GeSn material quality if with direct growth, a 240-nm-thick Ge buffer was utilized, which simultaneously allows for the transporting photo generated electrons from the GeSn absorber to Si multiplication layer. Spectral response showed the cutoff wavelength beyond 2.1 mu m at room temperature. Dark current and capacitance-voltage measurements indicated a punch-through …
Insect-Foundation: A Foundation Model And Large Multimodal Dataset For Vision-Language Insect Understanding, Thanh-Dat Truong, Hoang-Quan Nguyen, Xuan-Bac Nguyen, Ashley Dowling, Xin Li, Khoa Luu
Insect-Foundation: A Foundation Model And Large Multimodal Dataset For Vision-Language Insect Understanding, Thanh-Dat Truong, Hoang-Quan Nguyen, Xuan-Bac Nguyen, Ashley Dowling, Xin Li, Khoa Luu
Electrical Engineering and Computer Science Faculty Publications and Presentations
Multimodal conversational generative AI has shown impressive capabilities in various vision and language understanding through learning massive text-image data. However, current conversational models still lack knowledge about visual insects since they are often trained on the general knowledge of vision-language data. Meanwhile, understanding insects is a fundamental problem in precision agriculture, helping to promote sustainable development in agriculture. Therefore, this paper proposes a novel multimodal conversational model, Insect-LLaVA, to promote visual understanding in insect-domain knowledge. In particular, we first introduce a new large-scale Multimodal Insect Dataset with Visual Insect Instruction Data that enables the capability of learning the multimodal foundation …
Refining The Geochronologic Framework Of The Early Cretaceous Nonmarine Western Interior Basin, Usa, Jack Fekete
Refining The Geochronologic Framework Of The Early Cretaceous Nonmarine Western Interior Basin, Usa, Jack Fekete
Graduate Theses and Dissertations
The Early to mid-Cretaceous marks a period of dynamic shifts in tectonism, depositional environments, climate, and biota across the mid-North American continent. However, despite their importance for understanding crucial biotic and geologic transitions during this period, nonmarine Early Cretaceous strata of the Western Interior Basin (WIB) remain poorly constrained geochronologically. Radiometric dating of syndepositional detrital minerals, such as ash-fall zircon, offers a solution to refining geochronologic frameworks. However, a magmatic lull in the Cordilleran magmatic arc during the Early Cretaceous limited the delivery of syndepositional zircon to the WIB, impeding such refinement. In this dissertation, I developed and tested new …
Concentration-Dependent Responses Of C. Reinhardtii To Silver Ions: Hormetic Response In Growth And Reduction Of Motility, Hemanta Pradhan, Arpan Poudel, Diksha Shrestha, Ariel Rogers, Michael Stewart, Amani Jereb, Jack Harper, Ming Li, Wen Zhang, Jingyi Chen, Yong Wang
Concentration-Dependent Responses Of C. Reinhardtii To Silver Ions: Hormetic Response In Growth And Reduction Of Motility, Hemanta Pradhan, Arpan Poudel, Diksha Shrestha, Ariel Rogers, Michael Stewart, Amani Jereb, Jack Harper, Ming Li, Wen Zhang, Jingyi Chen, Yong Wang
Physics Faculty Publications and Presentations
Elevated levels of silver in aquatic environments arising from widespread use of silver nitrate and silver nanoparticles in different sectors of industry and medicine pose significant biophysical challenges to aquatic microorganisms. Despite extensive toxicity studies of silver on bacteria and microbial communities, its influence on other aquatic microorganisms, such as microalgae, remains poorly understood. In this study, we investigated the biophysical response of C. reinhardtii microalgae to silver ion exposure in terms of their population growth dynamics, chlorophyll content, and swimming motility. We found that silver ions at different concentrations (from 0.29 to 1.18 mu\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} …
New Fiber And Graph Combinations Of Convex Bodies, Steven Hoehner, Sudan Xing
New Fiber And Graph Combinations Of Convex Bodies, Steven Hoehner, Sudan Xing
Mathematical Sciences Faculty Publications and Presentations
Three new combinations of convex bodies are introduced and studied: the fiber, chord, and graph combinations. These combinations are defined in terms of the fibers and graphs of pairs of convex bodies, and each operation generalizes the classical Steiner symmetral, albeit in different ways. For the fiber and chord combinations, we derive Brunn-Minkowski-type inequalities and the corresponding Minkowski's first inequalities. We also prove that the general affine surface areas are concave (respectively, convex) with respect to the graph sum, thereby generalizing fundamental results of Ye (Indiana Univ. Math. J. 14 (2014), 1-19) on the monotonicity of the general affine surface …
An Adaptive Force Matching Potential For Alanine Developed With Møller-Plesset Perturbation Theory And Smooth Fourier Transform Correction Map, Ying Yuan, Feng Wang
An Adaptive Force Matching Potential For Alanine Developed With Møller-Plesset Perturbation Theory And Smooth Fourier Transform Correction Map, Ying Yuan, Feng Wang
Chemistry & Biochemistry Faculty Publications and Presentations
Developing accurate force fields for biomolecules remains a significant challenge due to the subtle energetic differences between various conformational states. We present a novel force field model for polyalanine, ALAMP2_25, developed using adaptive force matching (AFM) with M & oslash;ller-Plesset perturbation theory at the second order (MP2) as the reference method. By fitting smaller model compounds and transferring parameters to larger peptides, we overcome the limitations of traditional AFM approaches and enable the use of more accurate electronic structure methods. The ALAMP2_25 model incorporates a new correction scheme, Smooth Fourier Transform-based phi, psi correction map (SFT-CMAP), which efficiently describes phi, …
A Theoretical Investigation Of Photo-Induced Deformations And Transitions In Nanoscale Ferroelectrics, Carmel Dansou
A Theoretical Investigation Of Photo-Induced Deformations And Transitions In Nanoscale Ferroelectrics, Carmel Dansou
Graduate Theses and Dissertations
This dissertation presents a comprehensive first-principles investigation into the interaction of light with ferroelectric materials, focusing on light-induced structural responses (photostriction) and phase transitions in Ferroelectric superlattices, epitaxially strained BiFeO3 thin films, and twodimensional NbOX2 (X = Cl, Br, I) ferroelectrics. The work aims to provide microscopic insights into how light can control the lattice structure and even the crystallographic phase in these systems, with the broader goal of informing the design of light-responsive functional materials for practical technological applications. The first part explores light-induced effects in PbTiO3/SrTiO3 superlattices with different polarization orientations. Our simulations reveal that photoexcitation modifies the …
Synthesis And Properties Study Of Layered Magnetic Topological Materials, Gokul Acharya
Synthesis And Properties Study Of Layered Magnetic Topological Materials, Gokul Acharya
Graduate Theses and Dissertations
The discovery of topological materials (TMs) has opened up exciting opportunities for probing fundamental physics and enhancing innovative device integrations. These materials display various exotic properties, such as large magnetoresistance, high mobility, chiral anomaly, and surface Fermi arcs. The magnetic versions of ZrSiS family, LnSbTe and LnPS (Ln = lanthanide) have attracted intensive attention as these materials provide a new platform to study interplay between magnetism, topological states, and electron correlations. The vast pool of topological materials has provided exciting avenues to precisely engineer the topological states by modulating spin-orbital coupling, electronic dimensionality, and lattice constant through element substitutions. This …
Ab Initio Studies On Mechanical Properties Of Freestanding Ferroic Monolayers, John Malcolm Davis
Ab Initio Studies On Mechanical Properties Of Freestanding Ferroic Monolayers, John Malcolm Davis
Graduate Theses and Dissertations
This thesis explores the role of mechanical properties and elastic couplings in freestanding paradigmatic ferroic monolayers within the framework of density functional theory. This dissertation is comprised of three interconnected published studies: (i) establishing the elastic behavior across a temperature-driven phase transition in SnSe monolayers; (ii) thermally-driven phase transitions in graphene-like silicene, germanene, and stanene, examining the structural stability and band gap occlusion; and (iii) magnetoelastic coupling in an Ising-like CrSiTe3 monolayer, focused on assessing magnetic contributions to the material stiffness by establishing a proper non-magnetic reference.
Advancing Social Sustainability In Operations And Supply Chain Management: A Multi-Theoretical Exploration Of Technology, Task Familiarity, And Sustainability Interactions, Satabdi Hazarika
Graduate Theses and Dissertations
Social sustainability in operations and supply chain management (OSCM) centers on generating economic value through practices that safeguard people, communities, and broader societal systems impacted by the supply chain. While the importance of such practices is increasingly recognized, firms face persistent challenges in embedding social sustainability into formal management systems. This dissertation tackles three such challenges, with a particular focus on safety in trucking—a vital yet underexamined aspect from the lens of social sustainability. Safety performance in this context is influenced by the complexities of using advanced safety technologies, the demanding and solitary nature of truck driving, and the temporal …
A Dynamic Hierarchical Attention Framework For Multimodal Malware Detection, Tamanna Nazmin
A Dynamic Hierarchical Attention Framework For Multimodal Malware Detection, Tamanna Nazmin
Graduate Theses and Dissertations
The increasing use of Android in the worldwide mobile ecosystem has come along with a significant increase in advanced malware, highlighting the critical necessity for efficient, scalable, and adaptable detection systems. Despite recent advancements in machine learning improving malware detection, the majority of current solutions are limited to one, two, or three data modalities, hence neglecting the comprehensive behavioral spectrum of contemporary multi-vector threats. This thesis presents the first comprehensive multimodal framework for Android malware detection, which combines textual, time-series (temporal), graph-based (structural), and visual information using an innovative hierarchical attention mechanism and Dynamic Fusion Controller(DFC). Our methodology consistently classifies …
Pine Fruit Activated Carbon Modified With Cuco2se4 For The Application In High-Performance Battery-Type Supercapacitor, Farshad Tavakoli, Ali A. Ensafi, Behzad Rezaei
Pine Fruit Activated Carbon Modified With Cuco2se4 For The Application In High-Performance Battery-Type Supercapacitor, Farshad Tavakoli, Ali A. Ensafi, Behzad Rezaei
Chemistry & Biochemistry Faculty Publications and Presentations
Biomass has attracted considerable interest in the field of energy storage because of its outstanding characteristics, such as superior charge transport ability, affordability, eco-friendly, structural versatility, and renewability. Moreover, biomass-derived activated carbons, combined with pseudocapacitive materials, have recently gained popularity as efficient electrochemical components for energy storage devices. In this study, activated carbon was prepared from pinecone flowers as the biomass precursor through a process involving alkaline treatment and pyrolytic carbonization in an inert gas environment. Subsequently, CuCo2Se4 nanoparticles (CCS) were synthesized on the Pine Fruit Activated Carbon (PFAC) surface via a hydrothermal method. CCS serves as a pseudocapacitive material …
The Cannon-Thurston Map For Relatively Hyperbolic Free-By-Cyclic Groups, Kailey Beth Perry
The Cannon-Thurston Map For Relatively Hyperbolic Free-By-Cyclic Groups, Kailey Beth Perry
Graduate Theses and Dissertations
Let F = H1 ∗ · · · ∗ Hk ∗ Fr be a splitting of a finitely generated free group, H = {H1 , . . . , Hk } a set of subgroups of F , and Φ ∈ Aut(F ) an automorphism such that for any i, Φ([Hi ]) = [Hj ] for some j. Consider the free-by-cyclic group Gϕ = ⟨F, t | t−1 xt = Φ(x)⟩. Suppose Gϕ is strongly hyperbolic relative to H̃ = {H̃1 , . . . , H̃k }, where H̃i = ⟨Hi , t | t−1 xt = Φ(x)⟩. In …
Synthesis Of Pillar[N]Arenes And Bridge-Functionalized Pillar[N]Arenes Via Cyclic And Acyclic Acetals, Babitha Machireddy
Synthesis Of Pillar[N]Arenes And Bridge-Functionalized Pillar[N]Arenes Via Cyclic And Acyclic Acetals, Babitha Machireddy
Graduate Theses and Dissertations
Pillar[n]arenes are macrocyclic compounds consisting of ‘n’ hydroquinone units linked by para-methylene bridges. Since their first report of facile synthesis 17 years ago, pillararenes have attracted significant interest due to their versatile functionality, electron-rich cavity, crystalline nature, and planar chirality. These unique properties have enabled a broad range of practical applications, including small molecule separation, formation of one-dimensional and two-dimensional channels, drug delivery systems, and enhanced emissive and fluorescent properties. The ease of synthesis of pillararenes has been one of the key factors in their widespread adoption and continued exploration in supramolecular chemistry and material science. Despite the efficiency and …