Engineering Commons^™

Molecular Dynamics Simulations Of Interaction Of Dna Nucleotides And Lignin Oligomers With Small Molecules And Interfaces, Xinjie Tong

LSU Doctoral Dissertations

Molecular dynamics (MD) simulations of interaction of DNA nucleotides with self-assembled monolayers (SAMs) provide valuable information that is critical to the development of a new DNA sequencing technique. We investigated the interactions and transport characteristics of mononucleotides moving through nanoslits with SAMs-covered surfaces. Our simulations focused on nanoslits in which the walls were composed of three different types of SAMs: methylformyl terminated, methyl terminated, and phenoxy terminated. The results demonstrated that the phenoxy terminated surfaces have the shortest required nanoslits length for nucleotides separation.

Using MD simulations, we also investigated the interaction of mono-lignin and oligo-lignols with lipid bilayers and …

Combined Molecular Dynamics And Phase Field Simulation Of Crystal Melt Interfacial Properties And Microstructure Evolution During Rapid Solidification Of Ti-Ni Alloys, Sepideh Kavousi

LSU Doctoral Dissertations

Phase field method has become a popular tool to investigate the microstructure evolution during the solidification. Quantitative predictions using this method is still limited, and in this dissertation, we try to study this problem from different perspectives.

Most of the phase field models consider the solid-liquid interface to be in local equilibrium. Solidification during some manufacturing processes like selective laser melting, and electron beam additive manufacturing is rapid and far from equilibrium which can result in supersaturated solid solutions, segregation-free crystals, or metastable phases. Before obtaining any conclusions from the phase field simulations, we must know the answer for “which …

An Investigation Of High-Speed Consolidation And Repair Of Carbon Fiber - Epoxy Composites Through Ultrasonic Welding, David A. Hoskins

LSU Master's Theses

Adhesive repair of carbon fiber composite structures is commonly done on damaged structures to extend the service life. This method requires careful preparation of the damaged surface with intricate steps to ensure good bonding between the repair patch and the parent structure by means of an adhesive film. As with many forms of composite manufacturing, it is required to perform vacuum bagging, debulking, and a heated cure depending on the resin. All these steps make the repair process costly and time consuming.

In this present work, an alternative method of repair is investigated which explores the experimental feasibility of using …

Vanadium-Based Nanomaterials For Improved Zn Ion Storage, Jianwei Lai

LSU Master's Theses

Rechargeable aqueous zinc-ion batteries (ZIBs) have been intensively studied as novel promising large-scale energy storage systems recently, owing to their advantages of high abundance, cost effectiveness, and high safety. However, the development of suitable cathode materials with superior performance are severely hampered by the sluggish kinetics of Zn²⁺ with divalent charge in the host structure.

Our Work demonstrates boosting the electrochemical performances of nanostructured cathode materials for aqueous ZIBs. The first project is focused on the interlayer-expanded V₆O₁₃∙nH₂O nanosheets as promising cathodes. Benefiting from the synthetic merits of its favorable architecture and expanded …

High Enthalpy Storage Thermoset Network With Giant Stress And Energy Output In Rubbery State And Associated Applications, Jizhou Fan

LSU Doctoral Dissertations

In this study, a new shape memory thermoset network with giant stress and energy output in rubbery state is synthesized and studied firstly since the low output in stress and energy in rubbery state has been a bottleneck for wide-spread applications of thermoset shape memory polymers (SMPs). Traditionally, stress or energy storage in thermoset network is through entropy reduction by mechanical deformation or programming. We here report another mechanism for energy storage, which stores energy primarily through enthalpy increase by stretched bonds during programming. As compared to entropy-driven counterparts, which usually have a stable recovery stress from tenths to several …

Application Of X-Ray Grating Interferometry To Polymer/Flame Retardant Blends In Additive Manufacturing, Omoefe Joy Kio

LSU Doctoral Dissertations

X-ray grating interferometry is a nondestructive tool for visualizing the internal structures of samples. Image contrast can be generated from the absorption of X-rays, the change in phase of the beam and small-angle X-ray scattering (dark-field). The attenuation and differential phase data obtained complement each other to give the internal composition of a material and large-scale structural information. The dark-field signal reveals sub-pixel structural detail usually invisible to the attenuation and phase probe, with the potential to highlight size distribution detail in a fashion faster than conventional small-angle scattering techniques. This work applies X-ray grating interferometry to the study of …

A Model-Based Framework For The Smart Manufacturing Of Polymers, Santiago D. Salas Ortiz

LSU Doctoral Dissertations

It is hard to point a daily activity in which polymeric materials or plastics are not involved. The synthesis of polymers occurs by reacting small molecules together to form, under certain conditions, long molecules. In polymer synthesis, it is mandatory to assure uniformity between batches, high-quality of end-products, efficiency, minimum environmental impact, and safety. It remains as a major challenge the establishment of operational conditions capable of achieving all objectives together. In this dissertation, different model-centric strategies are combined, assessed, and tested for two polymerization systems.

The first system is the synthesis of polyacrylamide in aqueous solution using potassium persulfate …

Concentration Flow Cells For Efficient Salinity Energy Recovery With Carbonized Peat Moss And Molybdenum Disulfide Electrodes, Haihui Zhu

LSU Master's Theses

The globally extractable salinity gradient (SG) energy from the mixing of seawater and river water is estimated to be 3% of worldwide electricity consumption. Here we applied carbonized peat moss (CPM) electrodes and molybdenum disulfide (MoS₂) electrodes to a concentration flow cell that is capable of harvesting SG energy based on the electrode (pseudo-)capacitance together with the Donnan potential. The CPM electrodes were made from the visually inexhaustible peat moss by a facile pyrolysis process. With two identical CPM electrodes and a cation-exchange membrane, the cell produced a peak power density of 5.33 W m^-2 and an …

Microscale Metal Forming: Mesoscopic Size Effect, Extrusion And Molding, Bin Zhang

LSU Doctoral Dissertations

The continuing trend of metallic device and product miniaturization has motivated studies on microscale metal forming technologies. A better understanding of materials’ mechanical response and deformation behavior is of importance for the design and operation of micro metal forming processes. In this dissertation, uniaxial compression testing was conducted on Al ring and pillar specimens with characteristic dimensions at meso to micro scales. The experimental data reveal inadequacies of the existing surface layer model and provides a baseline for delineating deformation mechanisms in micro metal forming operations. Microscale reverse extrusion experiment was carried out on Cu and Al rod specimens with …