Engineering Commons^™

A Versatile Python Package For Simulating Dna Nanostructures With Oxdna, Kira Threlfall

Computer Science and Computer Engineering Undergraduate Honors Theses

The ability to synthesize custom DNA molecules has led to the feasibility of DNA nanotechnology. Synthesis is time-consuming and expensive, so simulations of proposed DNA designs are necessary. Open-source simulators, such as oxDNA, are available but often difficult to configure and interface with. Packages such as oxdna-tile-binding pro- vide an interface for oxDNA which allows for the ability to create scripts that automate the configuration process. This project works to improve the scripts in oxdna-tile-binding to improve integration with job scheduling systems commonly used in high-performance computing environments, improve ease-of-use and consistency within the scripts compos- ing oxdna-tile-binding, and move …

Statistical And Variational Modeling And Analysis Of Passive Integrated Photonic Devices, Norbert Dinyi Agbodo

Legacy Theses & Dissertations (2009 - 2024)

The success of Si as a platform for photonic devices and the associated availabilityof wafer-scale, ultra-high resolution lithography for Si CMOS has helped lead to the rapid advance of Si-based integrated photonics manufacturing over the past decade. This evolution is nearing the point of integration of Si-based photonics together with Si-CMOS for compact, high speed, high bandwidth, and cost-effective devices. However, due to the sensitive nature of passive and active photonic devices, variations inherent in wafer-based fabrication processes can lead to unacceptable levels of performance variation both within a give die and across a given wafer. Fully understanding the role …

Optical Properties Of Ultrathin In(Ga)As/Gaas And In(Ga)N/Gan Quantum Wells, Yurii Maidaniuk

Graduate Theses and Dissertations

Recently, structures based on ultrathin quantum wells (QWs) began to play a critical role in modern devices, such as lasers, solar cells, infrared photodetectors, and light-emitting diodes. However, due to the lack of understanding of the formation mechanism of ultrathin QWs during the capping process, scientists and engineers cannot fully explore the potential of such structures. This study aims to investigate how structural parameters of ultrathin QWs affect their emission properties by conducting a systematic analysis of the optical properties of In(Ga)As/GaAs and In(Ga)N/GaN ultrathin QWs. Specifically, the analysis involved photoluminescence measurements combined with effective bandgap simulation, x-ray diffraction, and …

Mechanistic Modeling Of Nanoparticle-Stabilized Supercritical Co2 Foams And Its Implication In Field-Scale Eor Applications, Doris Patricia Ortiz Maestre

LSU Master's Theses

Previous experimental studies show that nanoparticle-stabilized supercritical CO₂ foams (or, NP CO₂ foams) can be applied as an alternative to surfactant foams, in order to reduce CO₂ mobility in gas injection enhanced oil recovery (EOR). These nanoparticles, if chosen correctly, can be an effective foam stabilizer attached at the fluid interface in a wide range of physicochemical conditions.

By using NP CO₂ foam experiments available in the literature, this study performs two tasks: (i) presenting how a mechanistic foam model can be used to fit experimental data and determine required model parameters, and (ii) investigating the …

Computational Prediction Of Conductivities Of Disk-Shaped Particulate Composites, Jian Qiu

Electronic Theses and Dissertations

The effective conductivities are determined for randomly oriented disk-shaped particles using an efficient computational algorithm based on the finite element method. The pairwise intersection criteria of disks are developed using a set of vector operations. An element partition scheme has been implemented to connect the elements on different disks across the lines of intersection. The computed conductivity is expressed as a function of the density and the size of the circular disks or elliptical plates. It is further expressed in a power-law form with the key parameters determined from curve fittings. The particle number and the trial number of simulations …

Modeling And Studying The Effect Of Texture And Elastic Anisotropy Of Copper Microstructure In Nanoscale Interconnects On Reliability In Integrated Circuits, Adarsh Basavalingappa

Legacy Theses & Dissertations (2009 - 2024)

Copper interconnects are typically polycrystalline and follow a lognormal grain size distribution. Polycrystalline copper interconnect microstructures with a lognormal grain size distribution were obtained with a Voronoi tessellation approach. The interconnect structures thus obtained were used to study grain growth mechanisms, grain boundary scattering, scattering dependent resistance of interconnects, stress evolution, vacancy migration, reliability life times, impact of orientation dependent anisotropy on various mechanisms, etc. In this work, the microstructures were used to study the impact of microstructure and elastic anisotropy of copper on thermal and electromigration induced failure.

Modeling And Simulation Of Optical Properties Of Noble Metals Triangular Nanoprisms, Soad Zahir Alsheheri

Electronic Theses and Dissertations

Gold and silver has gained huge attention across the scientific community for its applications arising from its plasmonic properties. The optical properties achieved by these materials via excitation of plasmons is very unique to these materials and used as diagnostic and therapeutic agents in the field of medicine, and as sensors in a gamut of disciplines such as energy and environmental protection to name a few. Surface plasmon resonance (SPR) properties of the gold and silver are size and shape dependent. Of the various shapes reported in literature, triangular nanoprisms has tunable optical properties in the visible and near IR …

Failure Simulations At Multiple Length Scales In High Temperature Structural Alloys, Chao Pu

Doctoral Dissertations

A number of computational methodologies have been developed to investigate the deformation and damage mechanism of various structural materials at different length scale and under extreme loading conditions, and also to provide insights in the development of high-performance materials.

In microscopic material behavior and failure modes, polycrystalline metals of interest include heterogeneous deformation field due to crystalline anisotropy, inter/intra grain or phase and grain boundary interactions. Crystal plasticity model is utilized to simulate microstructure based polycrystalline materials, and micro-deformation information, such as lattice strain evolution, can be captured based on crystal plasticity finite element modeling (CPFEM) in ABAQUS. The comparison …

Traction-Separation Relationships For Hydrogen-Induced Grain Boundary Embrittlement In Nickel Via Molecular Dynamics Simulations, Wesley Allen Barrows

Graduate Theses and Dissertations

The deleterious effects of atomic and molecular hydrogen on the mechanical properties of metals have long been observed. Although several theories exist describing the mechanisms by which hydrogen negatively influences the failure of materials, a consensus has yet to be reached regarding the exact mechanism or combination of mechanisms. Two mechanisms have gained support in explaining hydrogen’s degradative role in non-hydride forming metals: hydrogen-enhanced localized plasticity and hydrogen-enhanced decohesion. Yet, the interplay between these mechanisms and microstructure in metallic materials has not been explained. Accordingly, for this thesis, the three main objectives are: (i) to develop a numerical methodology to …