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Numerical Analysis and Computation Commons™
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Articles 1 - 8 of 8
Full-Text Articles in Numerical Analysis and Computation
Pt-Symmetry And Eigenmodes, Tamara Gratcheva
Pt-Symmetry And Eigenmodes, Tamara Gratcheva
University Honors Theses
Spectra of systems with balanced gain and loss, described by Hamiltonians with parity and time-reversal (PT) symmetry is a rich area of research. This work studies by means of numerical techniques, how eigenvalues and eigenfunctions of a Schrodinger operator change as a gain-loss parameter changes. Two cases on a disk with zero boundary conditions are considered. In the first case, within the enclosing disk, we place a parity (P) symmetric configuration of three smaller disks containing gain and loss media, which does not have PT-symmetry. In the second case, we study a PT-symmetric configuration …
Modeling And Numerical Analysis Of The Cholesteric Landau-De Gennes Model, Andrew L. Hicks
Modeling And Numerical Analysis Of The Cholesteric Landau-De Gennes Model, Andrew L. Hicks
LSU Doctoral Dissertations
This thesis gives an analysis of modeling and numerical issues in the Landau-de Gennes (LdG) model of nematic liquid crystals (LCs) with cholesteric effects. We derive various time-step restrictions for a (weighted) $L^2$ gradient flow scheme to be energy decreasing. Furthermore, we prove a mesh size restriction, for finite element discretizations, that is critical to avoid spurious numerical artifacts in discrete minimizers that is not well-known in the LC literature, particularly when simulating cholesteric LCs that exhibit ``twist''. Furthermore, we perform a computational exploration of the model and present several numerical simulations in 3-D, on both slab geometries and spherical …
Development Of A Low Field Mri-Based Approach For Observation Of Water Penetration Into Clay: Preliminary Results, Shivam Gupta
Development Of A Low Field Mri-Based Approach For Observation Of Water Penetration Into Clay: Preliminary Results, Shivam Gupta
Undergraduate Student Research Internships Conference
Magnetic resonance imaging (MRI) are considered one of the most efficient and non-invasive methods of observing water content in permeable substances. MRI can visualize and quantify the movement of water in real time. In this study, MRI was used to observe the water penetration through clay. Furthermore, MRI can acquire three-dimensional data due to its radio-frequency signals from any orientation. The contrast of the images produced by MRI is a display of the fluid concentration. As such, any change in the contrast intensity is interpreted as a regional change in the concentration of fluid. This report summarizes the preliminary results …
Toward Improving Understanding Of The Structure And Biophysics Of Glycosaminoglycans, Elizabeth K. Whitmore
Toward Improving Understanding Of The Structure And Biophysics Of Glycosaminoglycans, Elizabeth K. Whitmore
Electronic Theses and Dissertations
Glycosaminoglycans (GAGs) are the linear carbohydrate components of proteoglycans (PGs) that mediate PG bioactivities, including signal transduction, tissue morphogenesis, and matrix assembly. To understand GAG function, it is important to understand GAG structure and biophysics at atomic resolution. This is a challenge for existing experimental and computational methods because GAGs are heterogeneous, conformationally complex, and polydisperse, containing up to 200 monosaccharides. Molecular dynamics (MD) simulations come close to overcoming this challenge but are only feasible for short GAG polymers. To address this problem, we developed an algorithm that applies conformations from unbiased all-atom explicit-solvent MD simulations of short GAG polymers …
A Computationally-Efficient Bound For The Variance Of Measuring The Orientation Of Single Molecules, Tingting Wu, Tianben Ding, Hesam Mazidi, Oumeng Zhang, Matthew D. Lew
A Computationally-Efficient Bound For The Variance Of Measuring The Orientation Of Single Molecules, Tingting Wu, Tianben Ding, Hesam Mazidi, Oumeng Zhang, Matthew D. Lew
Electrical & Systems Engineering Publications and Presentations
Modulating the polarization of excitation light, resolving the polarization of emitted fluorescence, and point spread function (PSF) engineering have been widely leveraged for measuring the orientation of single molecules. Typically, the performance of these techniques is optimized and quantified using the Cramér-Rao bound (CRB), which describes the best possible measurement variance of an unbiased estimator. However, CRB is a local measure and requires exhaustive sampling across the measurement space to fully characterize measurement precision. We develop a global variance upper bound (VUB) for fast quantification and comparison of orientation measurement techniques. Our VUB tightly bounds the diagonal elements of the …
Understanding The Nature Of Nanoscale Wetting Through All-Atom Simulations, Oliver Evans
Understanding The Nature Of Nanoscale Wetting Through All-Atom Simulations, Oliver Evans
Williams Honors College, Honors Research Projects
The spreading behavior of spherical and cylindrical water droplets between 30Å and 100Å in radius on a sapphire surface is investigated using all-atom molecular dynamics simulations for durations on the order of tens of nanoseconds. A monolayer film develops rapidly and wets the surface, while the bulk of the droplet spreads on top of the monolayer, maintaining the shape of a spherical cap. Unlike previous simulations in the literature, the bulk radius is found to increase to a maximum value and receed as the monolayer continues to expand. Simple time and droplet size dependence is observed for monolayer radius and …
Building And Validating A Model For Investigating The Dynamics Of Isolated Water Molecules, Grant Cates
Building And Validating A Model For Investigating The Dynamics Of Isolated Water Molecules, Grant Cates
Senior Theses
Understanding how water molecules behave in isolation is vital to understand many fundamental processes in nature. To that end, scientists have begun studying crystals in which single water molecules become trapped in regularly occurring cavities in the crystal structure. As part of that investigation, numerical models used to investigate the dynamics of isolated water molecules are sought to help bolster our fundamental understanding of how these systems behave. To that end, the efficacy of three computational methods—the Euler Method, the Euler-Aspel Method and the Beeman Method—is compared using a newly defined parameter, called the predictive stability coefficient ρ. This …
Diffusion And Fractional Diffusion Based Models For Multiple Light Scattering And Image Analysis, Jonathan Blackledge
Diffusion And Fractional Diffusion Based Models For Multiple Light Scattering And Image Analysis, Jonathan Blackledge
Articles
This paper considers a fractional light diffusion model as an approach to characterizing the case when intermediate scattering processes are present, i.e. the scattering regime is neither strong nor weak. In order to introduce the basis for this approach, we revisit the elements of formal scattering theory and the classical diffusion problem in terms of solutions to the inhomogeneous wave and diffusion equations respectively. We then address the significance of these equations in terms of a random walk model for multiple scattering. This leads to the proposition of a fractional diffusion equation for modelling intermediate strength scattering that is based …