Physical Sciences and Mathematics Commons^™

Towards The Rational Design Of Organic Semiconductors Through Computational Approaches, Qianxiang Ai

Theses and Dissertations--Chemistry

Though organic semiconductors have illustrated potential as industry-relevant materials for electronics applications, there are few guidelines that can take one from molecular design to functional materials. This limitation is, in part, due to incomplete understanding as to how the atomic-scale construction of the π-conjugated molecules that comprise the organic semiconductors determines the nature and strength of both the noncovalent intramolecular interactions that govern molecular conformation and noncovalent intermolecular interactions that regulate the energetic preference for solid-state packing. Hence, there remain several fundamental questions that need to be resolved in order to design organic semiconductors from a priori knowledge, including: What …

Synthesis Of Metal Oxide Surface And Interface Arrays By A Combined Solid-Liquid- Vapor/Vapor-Liquid-Solid Approach, Alexandra J. Riddle

Theses and Dissertations--Chemistry

This project was motivated by an in situ heating experiment in the transmission electron microscope (TEM) in which gold (Au) nanoparticles were observed to dissolve tin dioxide (SnO2) nanowires (NWs) under vacuum. The explanation for this observation was that the high-temperature and low-pressure environment of the TEM caused the reverse reaction of the well-known vapor-liquid-solid (VLS) method commonly used to grow NWs. In the VLS process, a metal catalyst absorbs reactant vapor until it becomes supersaturated. The precipitation of the NW occurs at the liquid-solid interface, which ceases when there is no longer reactant vapor, and the diameter of the …

Soil Carbon Dynamics And Greenhouse Gas Emissions In Conservation Tillage Systems At Multiple Scales, Yawen Huang

Theses and Dissertations--Plant and Soil Sciences

Conservation tillage practices like no-tillage and reduced tillage have been widely implemented worldwide, with expectations they would provide multiple benefits (e.g., yield enhancement and soil carbon sequestration) for food security and climate adaptation and mitigation. However, the adoption of conservation tillage faces both opportunities and challenges. A knowledge gap still exists regarding the effects of conservation tillage on the carbon cycle in agroecosystems. This dissertation reflects a comprehensive evaluation of conservation tillage at multiple scales using an integrated systems approach, a combination of data synthesis, the agriculture ecosystem model, and field observations and measurements. I first conducted a meta-analysis to …

Orthogonal Recurrent Neural Networks And Batch Normalization In Deep Neural Networks, Kyle Eric Helfrich

Theses and Dissertations--Mathematics

Despite the recent success of various machine learning techniques, there are still numerous obstacles that must be overcome. One obstacle is known as the vanishing/exploding gradient problem. This problem refers to gradients that either become zero or unbounded. This is a well known problem that commonly occurs in Recurrent Neural Networks (RNNs). In this work we describe how this problem can be mitigated, establish three different architectures that are designed to avoid this issue, and derive update schemes for each architecture. Another portion of this work focuses on the often used technique of batch normalization. Although found to be successful …

Unitary And Symmetric Structure In Deep Neural Networks, Kehelwala Dewage Gayan Maduranga

Theses and Dissertations--Mathematics

Recurrent neural networks (RNNs) have been successfully used on a wide range of sequential data problems. A well-known difficulty in using RNNs is the vanishing or exploding gradient problem. Recently, there have been several different RNN architectures that try to mitigate this issue by maintaining an orthogonal or unitary recurrent weight matrix. One such architecture is the scaled Cayley orthogonal recurrent neural network (scoRNN), which parameterizes the orthogonal recurrent weight matrix through a scaled Cayley transform. This parametrization contains a diagonal scaling matrix consisting of positive or negative one entries that can not be optimized by gradient descent. Thus the …

Semiparametric And Nonparametric Methods For Comparing Biomarker Levels Between Groups, Yuntong Li

Theses and Dissertations--Statistics

Comparing the distribution of biomarker measurements between two groups under either an unpaired or paired design is a common goal in many biomarker studies. However, analyzing biomarker data is sometimes challenging because the data may not be normally distributed and contain a large fraction of zero values or missing values. Although several statistical methods have been proposed, they either require data normality assumption, or are inefficient. We proposed a novel two-part semiparametric method for data under an unpaired setting and a nonparametric method for data under a paired setting. The semiparametric method considers a two-part model, a logistic regression for …

Estimation Of The Treatment Effect With Bayesian Adjustment For Covariates, Li Xu

Theses and Dissertations--Statistics

The Bayesian adjustment for confounding (BAC) is a Bayesian model averaging method to select and adjust for confounding factors when evaluating the average causal effect of an exposure on a certain outcome. We extend the BAC method to time-to-event outcomes. Specifically, the posterior distribution of the exposure effect on a time-to-event outcome is calculated as a weighted average of posterior distributions from a number of candidate proportional hazards models, weighing each model by its ability to adjust for confounding factors. The Bayesian Information Criterion based on the partial likelihood is used to compare different models and approximate the Bayes factor. …

Bayesian Kinetic Modeling For Tracer-Based Metabolomic Data, Xu Zhang

Theses and Dissertations--Statistics

Kinetic modeling of the time dependence of metabolite concentrations including the unstable isotope labeled species is an important approach to simulate metabolic pathway dynamics. It is also essential for quantitative metabolic flux analysis using tracer data. However, as the metabolic networks are complex including extensive compartmentation and interconnections, the parameter estimation for enzymes that catalyze individual reactions needed for kinetic modeling is challenging. As the pa- rameter space is large and multi-dimensional while kinetic data are comparatively sparse, the estimation procedure (especially the point estimation methods) often en- counters multiple local maximum such that standard maximum likelihood methods may yield …

Cancer Phylogenetic Analysis Based On Rna-Seq Data, Tingting Zhai

Theses and Dissertations--Statistics

Studying tumor evolution is a major task to understand the biological mechanism of carcinogenesis, develop new cancer therapies, and prevent drug resistance. We focus on two important questions in tumor evolution. The first question is to quantify intra-tumor heterogeneity, where multiple subclones of tumor cells with distinct transcriptomic profiles. Another question is to estimate the temporal order of alteration of key cancer pathways during tumor evolution. We present a new statistical method to 1) reconstruct the evolutionary history and population frequency of the subclonal lineages of tumor cells and 2) infer temporal order of pathway alterations in tumor evolution for …

Nonparametric Analysis Of Clustered And Multivariate Data, Yue Cui

Theses and Dissertations--Statistics

In this dissertation, we investigate three distinct but interrelated problems for nonparametric analysis of clustered data and multivariate data in pre-post factorial design.

In the first project, we propose a nonparametric approach for one-sample clustered data in pre-post intervention design. In particular, we consider the situation where for some clusters all members are only observed at either pre or post intervention but not both. This type of clustered data is referred to us as partially complete clustered data. Unlike most of its parametric counterparts, we do not assume specific models for data distributions, intra-cluster dependence structure or variability, in effect …

Simultaneous Tolerance Intervals For Response Surface And Mixture Designs Using The Adjusted Product Set Method, Aisaku Nakamura

Theses and Dissertations--Statistics

Various methods for constructing simultaneous tolerance intervals for regression models have been developed over the years, but all of them can be shown to be conservative. In this thesis, extensive simulations are conducted to evaluate the degree of conservatism with respect to their coverage probabilities. A new strategy to fit simultaneous tolerance intervals on linear models is proposed by modifying an existing method, which we call the adjusted product set (APS) method. The APS method will also be used to construct simultaneous tolerance bands on response surface and mixture designs.

Effects Of Hole Transporting Layers And Surface Ligands On Interface Energetics And Photovoltaic Performance Of Methylammonium Lead Iodide Perovskites, So Min Park

Theses and Dissertations--Chemical and Materials Engineering

Organic metal halide perovskites are promising materials for various optoelectronic device applications such as light emitting diodes (LED) and photovoltaic (PV) cells. Perovskite solar cells (PSCs) have shown dramatic increases in power conversion efficiency over the previous ten years, far exceeding the rate of improvement of all other PV technologies. PSCs have attracted significant attention due to their strong absorbance throughout the visible region, high charge carrier mobilities, color tunability, and ability to make ultralight weight devices. However, organic metal halide perovskites still face several challenges. For example, their environmental stability issue must be overcome to enable widespread commercialization. Meeting …

Measuring Variability In Model Performance Measures, Matthew Rutledge

Theses and Dissertations--Statistics

As data become increasingly available, statisticians are confronted with both larger sample sizes and larger numbers of predictors. While both of these factors are beneficial in building better predictive models and allowing for better inference, models can become difficult to interpret and often include variables of little practical significance. This dissertation provides methods that assist model builders to better understand and select from a collection of candidate models. We study the asymptotic distribution of AIC and propose a graphical tool to assist practitioners in comparing and contrasting candidate models. Real-world examples show how this graphic might be used and a …

Text Mining Methods For Analyzing Online Health Information And Communication, Sifei Han

Theses and Dissertations--Computer Science

The Internet provides an alternative way to share health information. Specifically, social network systems such as Twitter, Facebook, Reddit, and disease specific online support forums are increasingly being used to share information on health related topics. This could be in the form of personal health information disclosure to seek suggestions or answering other patients' questions based on their history. This social media uptake gives a new angle to improve the current health communication landscape with consumer generated content from social platforms. With these online modes of communication, health providers can offer more immediate support to the people seeking advice. Non-profit …

Deep Neural Architectures For End-To-End Relation Extraction, Tung Tran

Theses and Dissertations--Computer Science

The rapid pace of scientific and technological advancements has led to a meteoric growth in knowledge, as evidenced by a sharp increase in the number of scholarly publications in recent years. PubMed, for example, archives more than 30 million biomedical articles across various domains and covers a wide range of topics including medicine, pharmacy, biology, and healthcare. Social media and digital journalism have similarly experienced their own accelerated growth in the age of big data. Hence, there is a compelling need for ways to organize and distill the vast, fragmented body of information (often unstructured in the form of natural …

2019 Kentucky River Watershed Watch: Annual Report, Malissa Mcalister, Steven Evans

Kentucky River Watershed Watch

No abstract provided.

Graphene In A Uniform Magnetic Field, Ankur Das

Theses and Dissertations--Physics and Astronomy

We study monolayer graphene in a uniform magnetic field in the absence and presence of interactions. In the non-interacting limit, for p/q flux quanta per unit cell (p, q are coprime integer), the central two bands have 2q Dirac points in the Brillouin zone (BZ) in the nearest-neighbor model. These touchings and their locations are guaranteed by chiral symmetry and the lattice symmetries of the honeycomb structure. If we add a staggered potential and a next-nearest-neighbor hopping we find that their competition leads to a topological phase transition. We also study the stability of the Dirac touchings to one-body perturbations …

The Pion Form Factor And Momentum And Angular Momentum Fractions Of The Proton In Lattice Qcd, Gen Wang

Theses and Dissertations--Physics and Astronomy

Lattice Quantum Chromodynamics (QCD) provides a way to have a precise calculation and a new way of understanding the hadrons from first principles. From this perspective, this dissertation focuses first on a precise calculation of the pion form factor using overlap fermions on six ensembles of 2+1-flavor domain-wall configurations generated by the RBC/UKQCD collaboration with pion masses varying from 137 to 339 MeV. Taking advantage of the fast Fourier transform, low-mode substitution (LMS) and the multi-mass algorithm to access many combinations of source and sink momenta, we have done a simulation with various valence quark masses and with a range …

Structural And Lexical Methods For Auditing Biomedical Terminologies, Rashmie Abeysinghe

Theses and Dissertations--Computer Science

Biomedical terminologies serve as knowledge sources for a wide variety of biomedical applications including information extraction and retrieval, data integration and management, and decision support. Quality issues of biomedical terminologies, if not addressed, could affect all downstream applications that use them as knowledge sources. Therefore, Terminology Quality Assurance (TQA) has become an integral part of the terminology management lifecycle. However, identification of potential quality issues is challenging due to the ever-growing size and complexity of biomedical terminologies. It is time-consuming and labor-intensive to manually audit them and hence, automated TQA methods are highly desirable. In this dissertation, systematic and scalable …

Estimating Free-Flow Speed With Lidar And Overhead Imagery, Armin Hadzic

Theses and Dissertations--Computer Science

Understanding free-flow speed is fundamental to transportation engineering in order to improve traffic flow, control, and planning. The free-flow speed of a road segment is the average speed of automobiles unaffected by traffic congestion or delay. Collecting speed data across a state is both expensive and time consuming. Some approaches have been presented to estimate speed using geometric road features for certain types of roads in limited environments. However, estimating speed at state scale for varying landscapes, environments, and road qualities has been relegated to manual engineering and expensive sensor networks. This thesis proposes an automated approach for estimating free-flow …

A Theoretical And Experimental Study Of Charge Transport In Organic Thermoelectric Materials And Charge Transfer States In Organic Photovoltaics, Ashkan Abtahi

Theses and Dissertations--Physics and Astronomy

Applications of organic electronics have increased significantly over the past two decades. Organic semiconductors (OSC) can be used in mechanically flexible devices with potentially lower cost of fabrication than their inorganic counterparts, yet in many cases organic semiconductor-based devices suffer from lower performance and stability. Investigating the doping mechanism, charge transport, and charge transfer in such materials will allow us to address the parameters that limit performance and potentially resolve them. In this dissertation, organic materials are used in three different device structures to investigate charge transport and charge transfer. Chemically doped π-conjugated polymers are promising materials to be used …

Electrical And Magnetic Transport Properties Of Periodic And Aperiodic Artificial Spin Ice Systems, Justin Woods

Theses and Dissertations--Physics and Astronomy

In recent years, the topic of magnetic frustration in systems and the effect that frustration can have on system dynamics has been a rich environment for study. One such system that lends itself directly to this study are systems of single domain ferromagnetic bars in two dimensions. These ferromagnetic bars can be fabricated from a thin film using current lithography techniques. The bars are fabricated in such a way that their shape anisotropy dictates the magnetization of the bar will be a single domain, Ising-like magnetic moment. These single domain magnetic bars scan be arranged to introduce frustration of their …

Can Precision Farming Technologies Be Applied To Grazing Management?, S. Mark Rutter

IGC Proceedings (1993-2023)

In arable farming, precision is used to monitor and manage crop variability. The same precision approach can be used to manage grassland, by using crop sensing, targeted fertilizer/herbicide/pesticide application and forage yield measurement when it is harvested mechanically. An additional challenge in grassland agriculture is developing precision approaches to manage the grazing process. This requires technologies to determine where an animal is, when, what and how much it is grazing which the system then needs to use in conjunction with other sources of information to control where the animal grazes next. This paper reviews the existing technologies in these …

Manipulation Of The Spatial Grazing Behaviour Of Livestock In Extensive Grassland Systems, Derek W. Bailey, Mitch B. Stephenson, Milton G. Thomas, Juan F. Medrano, Gonzalo Rincon

IGC Proceedings (1993-2023)

Spatial behaviour of livestock is a critical factor in grassland management. Recent and ongoing research suggests that new approaches can be used to manipulate where cattle graze. The combination of strategic supplement placement and low-stress herding can be used to target cattle grazing and potentially may be useful for managing fine fuels. A phenotype to genotype association study of cattle spatial behavior suggests that use of rugged terrain and areas far from water is inherited. Although more research is needed, selection for animals specifically adapted for mountainous terrain or extensive paddocks may be an alternative for managing grasslands in the …

Case Studies Which Demonstrate The Financial Viability Of Precision Dairy Farming, Ian Yule, Hayden Lawrence, Craige Mackenzie, Carolyn Hedley, Miles Grafton

IGC Proceedings (1993-2023)

A number of case studies are used to demonstrate the financial viability of precision farming methods for intensively managed pastures. Precision farming has sometimes been criticized as being technology-led where the management goals and desired outcomes are sometimes poorly defined. Case studies presented in this paper demonstrate a strong management approach where appropriate technologies are selected to contribute to the financial success of the farm. The first case study farm has increased milk production by 70% in four years, increased pasture production by 43%, reduced fertilizer costs to 43% of previous levels and has successfully predicted annual production to within …

Opportunities For Improving Livestock Production With E-Management Systems, Dave L. Swain, Rebecca N. Handcock, Greg J. Bishop-Hurley, Don Menzies

IGC Proceedings (1993-2023)

There is increased interest in hardware and software that can support e-Management for grassland-based livestock industries. Managers of grazing livestock were early adopters of radio frequency identification (RFID) technologies automatically monitoring individual animal performance. Recent developments of remote sensing, automated individual recording and management, location based systems, improved data transfer and technologies that can be used in more extensive grazing systems are providing new opportunities for the development of e-Management systems. There is a need for better data integration and systems that can provide the best available information to enable better decision-making. For greater industry adoption of more integrated e-Management …

Growth Of Bali Bulls Fattened With Forage Tree Legumes In Eastern Indonesia: Leucaena Leucocephala In Sumbawa, Tanda Panjaitan, Muhammad Fauzan, H. Dahlanuddin, Michael J. Halliday, H. Max Shelton

IGC Proceedings (1993-2023)

The contribution of West Nusa Tenggara Province to domestic beef supply in Indonesia is relatively small, however, beef cattle are very important for the livelihoods of smallholder farmers in the region.

Bali cattle (Boss javanicus) are the predominant breed as they are adapted to harsh nutritional conditions, are highly fertile and have low calf mortality (Toelihere 2003). While genetically capable of achieving a growth rate of 0.85 kg/d (Mastika 2003), Panjaitan (2012) identified poor nutrition as a severe limitation to animal growth in traditional village systems. Improving feed quality and supply is vital to increasing growth rates and …

Effect Of High Se And Co Alfalfa Forage On Animal Production, Xiao-Lei Jie, Xiao Guo, Hua-Feng Hu

IGC Proceedings (1993-2023)

Total and available selenium (Se) and cobalt (Co) concentrations are low in Chinese soils, especially those found in mainly in temperate humid sub-humid conditions in the northeast to the southwest band across China (Tan et al. 2002). The levels of Se and Co are marginally deficit in the brown soil of the Yellow River region which causes lower production level and quality in forage and crop plants. Application of Se and Co fertilizers to arable lands is essential to produce high Se and Co forages. Henan is a Province where produce high-quality grass forages are used to support dairy …

Pre-Conditioned Cattle Sales For Forage-Based Cow-Calf Management Systems, C. P. Bagley, L. S. Dale, B. C. Housewright

IGC Proceedings (1993-2023)

Demand for preconditioned feeder cattle continues to increase in the beef industry as value-based marketing and information flow expands indicating preconditioned forage-raised calves require less management, fewer losses due to illness and deaths, and increased profitability to both buyer and seller. The goal of a preconditioning program is to increase the value of weaned cattle (Bailey, 2002). The Northeast Texas Beef Improvement Organization (NET-BIO) is comprised of commercial cow/calf and stocker operators and various agribusinesses with the same interest. The objective of this study is to determine if prices received for preconditioned NETBIO stocker cattle increase the net income above …

Performance, Carcass Characteristics And Meat Quality Of Grazing Lambs Finished On Tropical Grasses, Cesar H. E. C. Poli, Samuel Carnesella, Fernando M. Souza, Concepta Mcmanus, Zélia M. S. Castilhos, Liris Kindlein, Jaime U. Tarouco

IGC Proceedings (1993-2023)

Brazil is a country of continental size, and more than seven million ha are occupied with tropical pasture. Worldwide animal production from tropical pastures is also very significant where Cynodon, Panicum and Paspalum are important genus. These grasses are widely used in the production of cattle, and are growing in importance for sheep production, but their potential for producing quality lamb is not fully known.

The objective of this study was to evaluate the potential of two tropical grasses for finishing lambs in autumn to reduce the seasonality of production of lamb for meat.