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Articles 5821 - 5850 of 12194

Full-Text Articles in Physical Sciences and Mathematics

Topographic Gradients In Bulk Soil Properties In Central Kentucky Karst Sinkholes, Anne Kathryn Mcgraw Jan 2021

Topographic Gradients In Bulk Soil Properties In Central Kentucky Karst Sinkholes, Anne Kathryn Mcgraw

Theses and Dissertations--Plant and Soil Sciences

The Bluegrass physiographic region of Kentucky is underlain by the late Ordovician Lexington Limestone formation. This area has many identifiable karst features, including sinkholes. Karst sinkholes and associated soils coevolve, which may influence the distribution of bulk soil properties and storage of carbon across karst landscapes. Two sinkholes on the University of Kentucky’s C. Oran Little Animal Research Center in Woodford County, central Kentucky, were selected for analysis. We described and sampled nine pedons at the dominant landscape positions (e.g., summit, shoulder, backslope, footslope, and toeslope) within the two sinkholes; we characterized the physical, chemical, and mineralogical soil properties across …


Understanding The Effects Of Complex Topography On Cover Crop Dynamics And Maize Production In Kentucky Agroecosystems, Samuel John Leuthold Jan 2021

Understanding The Effects Of Complex Topography On Cover Crop Dynamics And Maize Production In Kentucky Agroecosystems, Samuel John Leuthold

Theses and Dissertations--Plant and Soil Sciences

In Central Kentucky, rolling hill cropland presents a number of challenges related to soil sustainability. Increased topographic complexity can lead to increased erosion, inefficient crop nutrient use and increased nutrient loss. Further, grain crop yields can be variable across both space and time in rolling hill fields and are less resilient to changes in weather conditions than flatter, more homogeneous areas. More than 30% of cropland in Kentucky has a slope greater than 3⁰, which means a large swath of the row crop production land in the state is at increased risk of contribution to soil and water resource degradation. …


Landslide Site Assessment And Characterization Using Remote Sensing Techniques, Batmyagmar Dashbold Jan 2021

Landslide Site Assessment And Characterization Using Remote Sensing Techniques, Batmyagmar Dashbold

Theses and Dissertations--Civil Engineering

Landslides are common and dangerous natural hazards that occur worldwide, often causing severe direct impacts on human lives, public and private properties. It is imperative to identify the landslide susceptible areas to avoid or mitigate the possible damage. Landslide prediction can be presented in a slope failure in spatial and/ or temporal terms. If it is presented in spatial term, it is considered a landslide susceptibility map (LSM) defined as the probability of spatial occurrence of slope failures. If it is presented in a combination of spatial and temporal distribution of the landslide susceptibility, it is commonly referred to as …


Neural Representations Of Concepts And Texts For Biomedical Information Retrieval, Jiho Noh Jan 2021

Neural Representations Of Concepts And Texts For Biomedical Information Retrieval, Jiho Noh

Theses and Dissertations--Computer Science

Information retrieval (IR) methods are an indispensable tool in the current landscape of exponentially increasing textual data, especially on the Web. A typical IR task involves fetching and ranking a set of documents (from a large corpus) in terms of relevance to a user's query, which is often expressed as a short phrase. IR methods are the backbone of modern search engines where additional system-level aspects including fault tolerance, scale, user interfaces, and session maintenance are also addressed. In addition to fetching documents, modern search systems may also identify snippets within the documents that are potentially most relevant to the …


Personality And Emotion For Virtual Characters In Strong-Story Narrative Planning, Alireza Shirvani Jan 2021

Personality And Emotion For Virtual Characters In Strong-Story Narrative Planning, Alireza Shirvani

Theses and Dissertations--Computer Science

Interactive virtual worlds provide an immersive and effective environment for training, education, and entertainment purposes. Virtual characters are an essential part of every interactive narrative. The interaction of rich virtual characters can produce interesting narratives and enhance user experience in virtual environments. I propose models of personality and emotion that are highly domain independent and integrate those models into multi-agent strong-story narrative planning systems. I demonstrate the value of the strong-story properties of the model by generating story conflicts intelligently. My models of emotion and personality enable the narrative generation system to create more opportunities for players to resolve conflicts …


Evaluating The Incidence Of Melanoma And Lung Cancer Of Current And Former Active-Duty U.S. Military Who Were Deployed In Support Of Operation Enduring Freedom And Operation Iraqi Freedom, Brian Kovacic Jan 2021

Evaluating The Incidence Of Melanoma And Lung Cancer Of Current And Former Active-Duty U.S. Military Who Were Deployed In Support Of Operation Enduring Freedom And Operation Iraqi Freedom, Brian Kovacic

Theses and Dissertations--Epidemiology and Biostatistics

The incidence of melanoma and lung cancer has been gradually increasing in the United States over the past three decades with the reputed causes due to etiological and environmental exposures, and tobacco usage. There has been concern that melanoma and lung cancer incidence among military personnel may be associated with deployment to environments with intense sun exposure and increased smoking rates due to post-traumatic stress disorder. The aim of this study was to examine associations between deployment in support of Operation Enduring Freedom (OEF) or Operation Iraqi Freedom (OIF), from 2001 through 2015, with subsequent melanoma and lung cancer incidence. …


Design And Analyses Of School-Based Violence Prevention Cluster Randomized Trials, Md. Tofial Azam Jan 2021

Design And Analyses Of School-Based Violence Prevention Cluster Randomized Trials, Md. Tofial Azam

Theses and Dissertations--Epidemiology and Biostatistics

Interpersonal violence such as teen dating violence is a severe public health problem. Teen dating violence, including sexual violence (unwanted sexual contacts or activities), physical and psychological dating violence, sexual harassment, and stalking, affects high school students' physical and mental health and academic achievement in the United States. Dating violence is linked to psychological abuse perpetration in the future, depression, anxiety, and hostility. The teen dating violence victimization experience was related to antisocial behavior, drug abuse, increased heavy drinking, depression, suicidal ideation, smoking, and adult interpersonal violence victimization during adolescence. The detrimental effects of interpersonal violence demonstrate the critical importance …


Sexual Behaviors Associated With Online Partner-Seeking Among Men Who Have Sex With Men From Small/Midsized Towns Or Rural Areas In Kentucky, Vira Pravosud Jan 2021

Sexual Behaviors Associated With Online Partner-Seeking Among Men Who Have Sex With Men From Small/Midsized Towns Or Rural Areas In Kentucky, Vira Pravosud

Theses and Dissertations--Epidemiology and Biostatistics

The HIV epidemic remains one of the most significant public health issues in the United States, particularly among men who have sex with men (MSM). New avenues for partner-seeking have emerged over the past three decades, including through the Internet, social media, and geosocial networking applications. Consisting of three cross-sectional studies, this dissertation research aimed to determine associations between the use of various online tools for partner-seeking (hereafter collectively referred to as “apps”) and HIV-related sexual behaviors among 252 young adult MSM residing in small/midsized towns or rural areas in Central Kentucky, a group that has been under-represented in the …


Maternal Proximity To Mountaintop Removal Mining And Birth Defects In Appalachian Kentucky, 1997-2003, Daniel B. Cooper Jan 2021

Maternal Proximity To Mountaintop Removal Mining And Birth Defects In Appalachian Kentucky, 1997-2003, Daniel B. Cooper

Theses and Dissertations--Public Health (M.P.H. & Dr.P.H.)

Background: Extraction of coal through mountaintop removal mining (MTR) alters many dimensions of the landscape, and explosive blasts, exposed rock, and coal washing have the potential to pollute air and water with substances known to increase risk of developmental and birth anomalies. Previous research suggests that infants born to mothers living in MTR coal mining counties have higher prevalence of most types of birth defects.

Objectives: This study seeks to examine further the relationship between MTR activity and birth defects by employing individual level exposure estimation through precise satellite data of MTR activity in the Appalachian region and maternal residence …


Novel Nonparametric Testing Approaches For Multivariate Growth Curve Data: Finite-Sample, Resampling And Rank-Based Methods, Ting Zeng Jan 2021

Novel Nonparametric Testing Approaches For Multivariate Growth Curve Data: Finite-Sample, Resampling And Rank-Based Methods, Ting Zeng

Theses and Dissertations--Statistics

Multivariate growth curve data naturally arise in various fields, for example, biomedical science, public health, agriculture, social science and so on. For data of this type, the classical approach is to conduct multivariate analysis of variance (MANOVA) based on Wilks' Lambda and other multivariate statistics, which require the assumptions of multivariate normality and homogeneity of within-cell covariance matrices. However, data being analyzed nowadays show marked departure from multivariate normal distribution and homoscedasticity. In this dissertation, we investigate nonparametric testing approaches for multivariate growth curve data from three aspects, i.e., finite-sample, resampling and rank-based methods.

The first project proposes an approximate …


Design, Synthesis, And Anticancer Properties Of Ru(Ii) Complexes With Organometallic, “Expanded” Bipyridine, And O,O’-Chelating Ligands, Raphael Ryan Jan 2021

Design, Synthesis, And Anticancer Properties Of Ru(Ii) Complexes With Organometallic, “Expanded” Bipyridine, And O,O’-Chelating Ligands, Raphael Ryan

Theses and Dissertations--Chemistry

Cancer is a worldwide public health crisis that requires new and improved drugs to be developed to extend survival rates and improve quality of life for the patient. Platinum-based drugs are used in approximately 50% of cancer treatment regimens. These drugs are highly effective in many kinds of cancer; however, cancers can develop platinum resistance and these drugs have troubling side effects that reduced their use and efficacy. To overcome these disadvantages, many other metals have been studied for their anticancer properties. Notably, the anticancer properties of ruthenium-based agents have drawn considerable attention with multiple ruthenium complexes entering clinical trials. …


Using Semialgebraic Parametric Analysis By Metaprogramming In Portfolio Optimization, Philip Blaine Meersman Jan 2021

Using Semialgebraic Parametric Analysis By Metaprogramming In Portfolio Optimization, Philip Blaine Meersman

Lewis Honors College Capstone Collection

One classic problem in quantitative finance is portfolio optimization, which consists of assigning weights to assets in a portfolio to maximize one’s expected return while keeping the level of risk at a desired level. This problem can be modeled as a linear program (LP), using a risk aversion parameter mu. For a given single value of mu, the LP can be solved using any standard LP solver. In this work, however, the problem is considered parametrically: the optimal solution is sought for every possible value of mu. This describes how weights to the portfolio assets would be assigned from the …


Strongly Correlated Phases In Quantum Hall Systems, Amartya Saha Jan 2021

Strongly Correlated Phases In Quantum Hall Systems, Amartya Saha

Theses and Dissertations--Physics and Astronomy

Quantum Hall systems have a one-body energy spectrum consisting of dispersion-less Landau levels. Electron-electron interactions thus dominate in partially filled Landau levels, which exhibit a myriad of strongly correlated phases such as quantum hall ferromagnets and fractional quantum Hall phases. We study two examples of these phenomena.

In the first project, we explore the ground state of a system with an interface between two semi-infinite regions with fillings ν= 4 and ν= 3 respectively. The width of the interface can be controlled by varying the background potential, which provides an additional tuning parameter. For a certain range of …


Representing And Learning Preferences Over Combinatorial Domains, Michael Huelsman Jan 2021

Representing And Learning Preferences Over Combinatorial Domains, Michael Huelsman

Theses and Dissertations--Computer Science

Agents make decisions based on their preferences. Thus, to predict their decisions one has to learn the agent's preferences. A key step in the learning process is selecting a model to represent those preferences. We studied this problem by borrowing techniques from the algorithm selection problem to analyze preference example sets and select the most appropriate preference representation for learning. We approached this problem in multiple steps.

First, we determined which representations to consider. For this problem we developed the notion of preference representation language subsumption, which compares representations based on their expressive power. Subsumption creates a hierarchy of preference …


Computational Utilities For The Game Of Simplicial Nim, Nelson Penn Jan 2021

Computational Utilities For The Game Of Simplicial Nim, Nelson Penn

Theses and Dissertations--Computer Science

Simplicial nim games, a class of impartial games, have very interesting mathematical properties. Winning strategies on a simplicial nim game can be determined by the set of positions in the game whose Sprague-Grundy values are zero (also zero positions). In this work, I provide two major contributions to the study of simplicial nim games. First, I provide a modern and efficient implementation of the Sprague-Grundy function for an arbitrary simplicial complex, and discuss its performance and scope of viability. Secondly, I provide a method to find a simple mathematical expression to model that function if it exists. I show the …


Expanding Social Network Modeling Software And Agent Models For Diffusion Processes, Patrick Vaden Shepherd Jan 2021

Expanding Social Network Modeling Software And Agent Models For Diffusion Processes, Patrick Vaden Shepherd

Theses and Dissertations--Computer Science

In an increasingly digitally interconnected world, the study of social networks and their dynamics is burgeoning. Anthropologically, the ubiquity of online social networks has had striking implications for the condition of large portions of humanity. This technology has facilitated content creation of virtually all sorts, information sharing on an unprecedented scale, and connections and communities among people with similar interests and skills. The first part of my research is a social network evolution and visualization engine. Built on top of existing technologies, my software is designed to provide abstractions from the underlying libraries, drive real-time network evolution based on user-defined …


Evaluating The Biotic Condition Of Restored Streams In Kentucky’S Inner Bluegrass Region, Charles Cole Crankshaw Jan 2021

Evaluating The Biotic Condition Of Restored Streams In Kentucky’S Inner Bluegrass Region, Charles Cole Crankshaw

Theses and Dissertations--Biosystems and Agricultural Engineering

Numerous stream restoration projects have been implemented in Kentucky’s Inner Bluegrass region to offset anthropogenic impacts. These projects range from full channel realignments to volunteer-led riparian installations. To assess the ability of said projects to restore stream habitat and biota, full restoration (n=12) and riparian (n=6) sites were compared to reference (n=6) and disturbed (n=12) sites using RBP and SVAP protocols, macroinvertebrate samples, and geomorphology. General trends for SVAP, RBP, and BI scores, starting with highest habitat or biotic quality, were reference sites, full and riparian restoration sites, then disturbed sites. The number of EPT taxa, another indicator of biological …


Computational Insights On Medicinal Chemistry Targeting Cyp450s, Alexander D. Fenton Jan 2021

Computational Insights On Medicinal Chemistry Targeting Cyp450s, Alexander D. Fenton

Theses and Dissertations--Chemistry

Modern-day medicinal chemistry has provided researchers with a wide variety of tools to not only gather greater insight from their data, but also to generate data in new ways. One such tool is the construction of computational protein models from crystallographic datasets, and their subsequent use to understand the structure-activity relationships of protein-ligand complexes. These models can be utilized for their predictive power to inform the synthesis of, and improvement of, lead compounds. It is the goal of this work to employ such models to the CYP450 enzyme system such that potent and selective inhibitors can be designed, evaluated biologically, …


Plasmon Enhanced Single Molecule Fluorescence In Zero Mode Waveguides (Zmws), Abdullah Masud Jan 2021

Plasmon Enhanced Single Molecule Fluorescence In Zero Mode Waveguides (Zmws), Abdullah Masud

Theses and Dissertations--Chemistry

Plasmonic nanostructures are an extensive research focus due to their ability to modify the photophysical properties of nearby fluorophores. Surface plasmons (SP), defined as the collective oscillation of delocalized electrons, are the fundamental characteristic primarily responsible for altering those photophysical properties. Studying fluorophores at the single-molecule level has received significant attention since more specific information can be extracted from single molecule-based studies, which otherwise could be obscured in ensemble studies. However, single-molecule studies are inherently challenging because the signal from a single molecule is usually dim, making it difficult to detect. The situation is even worse in a crowded environment …


Synthesis Of Dual Small Molecule Hybrids To Probe The Synergy Between Dna Repair Enzymes And Ido1, Nathaniel George Jan 2021

Synthesis Of Dual Small Molecule Hybrids To Probe The Synergy Between Dna Repair Enzymes And Ido1, Nathaniel George

Theses and Dissertations--Chemistry

Indoleamine 2 3-dioxygenase (IDO) has recently been highlighted as a promising target for small molecule based immunotherapy. IDO is often coopted by various cancer cells to promote an immune-suppressive environment around tumors. DNA damage repair (DDR) enzymes have recently been targeted for inhibition to promote genetic instability and bolster immune recognition. DDR enzymes such as PARP and POLγ are common inhibition targets due to their direct effects on cellular function. In the process of designing conjugate inhibitors of IDO and DDR enzymes, novel synthetic methodology was developed for the mild deprotection of N-Tert-butyloxycarbonyl (N-BOC) group from various amines. Conjugate …


Maximums Of Total Betti Numbers In Hilbert Families, Jay White Jan 2021

Maximums Of Total Betti Numbers In Hilbert Families, Jay White

Theses and Dissertations--Mathematics

Fix a family of ideals in a polynomial ring and consider the problem of finding a single ideal in the family that has Betti numbers that are greater than or equal to the Betti numbers of every ideal in the family. Or decide if this special ideal even exists. Bigatti, Hulett, and Pardue showed that if we take the ideals with a fixed Hilbert function, there is such an ideal: the lexsegment ideal. Caviglia and Murai proved that if we take the saturated ideals with a fixed Hilbert polynomial, there is also such an ideal. We present a generalization of …


Solubility Of Additive Forms Over Local Fields, Drew Duncan Jan 2021

Solubility Of Additive Forms Over Local Fields, Drew Duncan

Theses and Dissertations--Mathematics

Michael Knapp, in a previous work, conjectured that every additive sextic form over $\mathbb{Q}_2(\sqrt{-1})$ and $\mathbb{Q}_2(\sqrt{-5})$ in seven variables has a nontrivial zero. In this dissertation, I show that this conjecture is true, establishing that $$\Gamma^*(6, \mathbb{Q}_2(\sqrt{-1})) = \Gamma^*(6, \mathbb{Q}_2(\sqrt{-5})) = 7.$$ I then determine the minimal number of variables $\Gamma^*(d, K)$ which guarantees a nontrivial solution for every additive form of degree $d=2m$, $m$ odd, $m \ge 3$ over the six ramified quadratic extensions of $\mathbb{Q}_2$. We prove that if $$K \in \{\mathbb{Q}_2(\sqrt{2}), \mathbb{Q}_2(\sqrt{10}), \mathbb{Q}_2(\sqrt{-2}), \mathbb{Q}_2(\sqrt{-10})\},$$ then $$\Gamma^*(d,K) = \frac{3}{2}d,$$ and if $$K \in \{\mathbb{Q}_2(\sqrt{-1}), \mathbb{Q}_2(\sqrt{-5})\},$$ then $$\Gamma^*(d,K) = …


Combinatorial Invariants Of Rational Polytopes, Andrés R. Vindas Meléndez Jan 2021

Combinatorial Invariants Of Rational Polytopes, Andrés R. Vindas Meléndez

Theses and Dissertations--Mathematics

The first part of this dissertation deals with the equivariant Ehrhart theory of the permutahedron. As a starting point to determining the equivariant Ehrhart theory of the permutahedron, Ardila, Schindler, and I obtain a volume formula for the rational polytopes that are fixed by acting on the permutahedron by a permutation, which generalizes a result of Stanley’s for the volume for the standard permutahedron. Building from the aforementioned work, Ardila, Supina, and I determine the equivariant Ehrhart theory of the permutahedron, thereby resolving an open problem posed by Stapledon. We provide combinatorial descriptions of the Ehrhart quasipolynomial and Ehrhart series …


A Tropical Approach To The Brill-Noether Theory Over Hurwitz Spaces, Kaelin Cook-Powell Jan 2021

A Tropical Approach To The Brill-Noether Theory Over Hurwitz Spaces, Kaelin Cook-Powell

Theses and Dissertations--Mathematics

The geometry of a curve can be analyzed in many ways. One way of doing this is to study the set of all divisors on a curve of prescribed rank and degree, known as a Brill-Noether variety. A sequence of results, starting in the 1980s, answered several fundamental questions about these varieties for general curves. However, many of these questions are still unanswered if we restrict to special families of curves. This dissertation has three main goals. First, we examine Brill-Noether varieties for these special families and provide combinatorial descriptions of their irreducible components. Second, we provide a natural generalization …


The Smallest Solution Of An Isotropic Quadratic Form, Deborah H. Blevins Jan 2021

The Smallest Solution Of An Isotropic Quadratic Form, Deborah H. Blevins

Theses and Dissertations--Mathematics

An isotropic quadratic form f(x1,...,xn) = ∑ ni=1nj=1 fijxixj defined on a Z- lattice has a smallest solution, where the size of the solution is measured using the infinity norm (∥ ∥), the l1 norm (∥ ∥1), or the Euclidean norm (∥ ∥2). Much work has been done to find the least upper bound and greatest lower bound on the smallest solution, beginning with Cassels in the mid-1950’s. Defining F := (f11,...,f …


Weakly Supervised Learning For Multi-Image Synthesis, Muhammad Usman Rafique Jan 2021

Weakly Supervised Learning For Multi-Image Synthesis, Muhammad Usman Rafique

Theses and Dissertations--Electrical and Computer Engineering

Machine learning-based approaches have been achieving state-of-the-art results on many computer vision tasks. While deep learning and convolutional networks have been incredibly popular, these approaches come at the expense of huge amounts of labeled data required for training. Manually annotating large amounts of data, often millions of images in a single dataset, is costly and time consuming. To deal with the problem of data annotation, the research community has been exploring approaches that require less amount of labelled data.

The central problem that we consider in this research is image synthesis without any manual labeling. Image synthesis is a classic …


Weight Distributions, Automorphisms, And Isometries Of Cyclic Orbit Codes, Hunter Lehmann Jan 2021

Weight Distributions, Automorphisms, And Isometries Of Cyclic Orbit Codes, Hunter Lehmann

Theses and Dissertations--Mathematics

Cyclic orbit codes are subspace codes generated by the action of the Singer subgroup Fqn* on an Fq-subspace U of Fqn. The weight distribution of a code is the vector whose ith entry is the number of codewords with distance i to a fixed reference space in the code. My dissertation investigates the structure of the weight distribution for cyclic orbit codes. We show that for full-length orbit codes with maximal possible distance the weight distribution depends only on q,n and the dimension of U. For full-length orbit codes with …


Optical Metasurfaces, Fatih Balli Jan 2021

Optical Metasurfaces, Fatih Balli

Theses and Dissertations--Physics and Astronomy

Traditional optical elements, such as refractive lenses, mirrors, phase plates and polarizers have been used for various purposes such as imaging systems, lithographic printing, astronomical observations and display technology. Despite their long-term achievements, they can be bulky and not suitable for miniaturization. On the other hand, recent nanotechnology advances allowed us to manufacture micro and nanoscale devices with ultra-compact sizes. Metasurfaces, 2D engineered artificial interfaces, have emerged as candidates to replace traditional refractive lenses with ultra-thin miniaturized optical elements. They possess sub-wavelength unit cell structures with a specific geometry and material selection. Each unit cell can uniquely tailor the phase, …


Review On Carbon Dioxide Utilization For Cycloaddition Of Epoxides By Ionic Liquid-Modified Hybrid Catalysts: Effect Of Influential Parameters And Mechanisms Insight, Jimmy Nelson Appaturi, Rajabathar. Jothi Ramalingam, Muthu Kumaran Gnanamani, Govindasami Periyasami, Prabhakarn Arunachalam, Rohana Adnan, Farook Adam, Mohammed D. Wasmiah, Hamad A. Al‐Lohedan Jan 2021

Review On Carbon Dioxide Utilization For Cycloaddition Of Epoxides By Ionic Liquid-Modified Hybrid Catalysts: Effect Of Influential Parameters And Mechanisms Insight, Jimmy Nelson Appaturi, Rajabathar. Jothi Ramalingam, Muthu Kumaran Gnanamani, Govindasami Periyasami, Prabhakarn Arunachalam, Rohana Adnan, Farook Adam, Mohammed D. Wasmiah, Hamad A. Al‐Lohedan

Center for Applied Energy Research Faculty and Staff Publications

The storage, utilization, and control of the greenhouse (CO2) gas is a topic of interest for researchers in academia and society. The present review article is dedicating to cover the overall role of ionic liquid-modified hybrid materials in cycloaddition reactions. Special emphasis is on the synthesis of various cyclic carbonate using ionic liquid-based modified catalysts. Catalytic activity studies have discussed with respect to process conditions and their effects on conversion and product selectivity for the reaction of cycloaddition of CO2 with styrene oxide. The reaction temperature and the partial pressure of CO2 have found to play …


Predicting Material Properties: Applications Of Multi-Scale Multiphysics Numerical Modeling To Transport Problems In Biochemical Systems And Chemical Process Engineering, Tom Pace Jan 2021

Predicting Material Properties: Applications Of Multi-Scale Multiphysics Numerical Modeling To Transport Problems In Biochemical Systems And Chemical Process Engineering, Tom Pace

Theses and Dissertations--Physics and Astronomy

Material properties are used in a wide variety of theoretical models of material behavior. Descriptive properties quantify the nature, structure, or composition of the material. Behavioral properties quantify the response of the material to an imposed condition. The central question of this work concerns the prediction of behavioral properties from previously determined descriptive properties through hierarchical multi-scale, multiphysics models implemented as numerical simulations. Applications covered focus on mass transport models, including sequential enzyme-catalyzed reactions in systems biology, and an industrial chemical process in a common reaction medium.