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Full-Text Articles in Engineering

Research On 3d Printing Resin Exposure Properties And Its Application On Centrifugal Microfluidic Platform Based On Fluorescence Detection, Zheng Qiao Apr 2024

Research On 3d Printing Resin Exposure Properties And Its Application On Centrifugal Microfluidic Platform Based On Fluorescence Detection, Zheng Qiao

LSU Doctoral Dissertations

This dissertation encapsulates significant advancements in the field of SLA 3D printing and centrifugal microfluidics. Central to the research is the development of a novel mathematical model for predicting trapped resin thickness in SLA 3D printing, a groundbreaking contribution that addresses a critical aspect of printing intricate structures. This model, the first to establish a mathematical relationship for resin thickness, is rooted in a comprehensive study of the resin curing process. The research leverages the concept of 'critical dosage' for resin curing, leading to a more refined and theoretically grounded approach for calculating curing thickness. Experimentation further validates the model, …


A Study On High-Frequency Bending Fatigue, Microhardness, Tensile Strength, And Microstructure Of Parts Made Using Atomic Diffusion Additive Manufacturing (Adam) And Additive Friction Stir Deposition (Afsd), Hamed Ghadimi Feb 2024

A Study On High-Frequency Bending Fatigue, Microhardness, Tensile Strength, And Microstructure Of Parts Made Using Atomic Diffusion Additive Manufacturing (Adam) And Additive Friction Stir Deposition (Afsd), Hamed Ghadimi

LSU Doctoral Dissertations

This dissertation reports the findings of several studies on the mechanical and microstructural properties of parts made using atomic diffusion additive manufacturing (ADAM) and additive friction stir deposition (AFSD). The design of a small-sized bending-fatigue test specimen for an ultrasonic fatigue testing system is reported in Chapter 1. The design was optimized based on the finite element analysis and analytical solution. The stress–life (S–N) curve is obtained for Inconel alloy 718. Chapter 2 presents the findings of ultrasonic bending-fatigue and tensile tests carried out on the ADAM test specimens. The S-N curves were created in the very high-cycle fatigue regime. …


An Investigation Into The Challenges Of Contemporary Additive Manufacturing: Insights Into The Metallurgical Response Of Materials And Relevant Solution, Huan Ding Nov 2023

An Investigation Into The Challenges Of Contemporary Additive Manufacturing: Insights Into The Metallurgical Response Of Materials And Relevant Solution, Huan Ding

LSU Doctoral Dissertations

Additive Manufacturing (AM) has gained attention in recent years due to its unique capabilities in the fabrication of complex parts. As with any new research, there is still a lack of sufficient understanding in the field of additive manufacturing, and further investigation is needed to solve existing problems. Ultimately, the aim is to enable the widespread use of AM components across various industries.

Chapter One provides a brief introduction to the background and current bottlenecks of additive manufacturing technology. Chapter two focuses on the development of high-strength 7075 aluminum alloy (Al7075) for Fused Deposition Modeling and Sintering (FDMS) technology. Al7075 …


Structural Health Monitoring And Repair Of Welded Thermoplastic Composite Joints Using Embedded Multifunctional Films, Wencai Li Oct 2023

Structural Health Monitoring And Repair Of Welded Thermoplastic Composite Joints Using Embedded Multifunctional Films, Wencai Li

LSU Doctoral Dissertations

Thermoplastic composites (TPCs) have gained widespread use, particularly in large or integrated structural components, necessitating effective joining techniques. Fusion bonding (welding) has emerged as a suitable method for TPCs due to their ability to be reshaped through heating and cooling, eliminating the need for mechanical fasteners, long curing times, and extensive surface preparation. Among the welding techniques, ultrasonic welding (USW) stands out for its fast-cycling time and potential for automating large-scale structures, thereby reducing energy consumption. However, limited industrial applications of USW in this context require further knowledge to instill confidence in the process. Moreover, composite structures are susceptible to …


Shape Memory Polymer-Based Multifunctional Syntactic Foams, Siavash Sarrafan Apr 2023

Shape Memory Polymer-Based Multifunctional Syntactic Foams, Siavash Sarrafan

LSU Doctoral Dissertations

With the increase in popularity of shape memory polymers (SMPs), especially in applications such as aerospace, textile, biomedical engineering, and even structures, the weight of the material and the devices made with it has always been a crucial factor. Using the shape memory polymer as a matrix to make a syntactic foam is one of the best and most affordable approaches to creating a lighter material that still has the shape memory effect. The addition of particles of different stiffness, strength, and size, with variable fractions, creates a composite that enables engineering the mechanical, as well as other physical and …


Development Of Novel Electrodes And Electrolytes For Safer Aqueous Ammonium Ion Batteries With Enhanced Performance., Shelton Farai Kuchena Apr 2023

Development Of Novel Electrodes And Electrolytes For Safer Aqueous Ammonium Ion Batteries With Enhanced Performance., Shelton Farai Kuchena

LSU Doctoral Dissertations

The Lithium-ion battery (LIBs) system has dominated the battery market because of its superior energy and power density. Problems related to LIBs such as safety, scarcity of cobalt and lithium have led researchers to explore alternative battery systems. NH4+ ion is a nonmetal charge carrier with lower molar mass (18 mol g-1) and smaller hydrated ionic size (3.31 Å) which results in excellent electrochemical properties. Furthermore, NH4+ ion has a tetrahedral structure that has no preferred orientation as compared to spherical metal ions giving a different intercalation chemistry based on hydrogen bonding. These properties …


Deposition, Material Characterization, And Mechanical Testing Of Cr Containing Diamond-Like Carbon Films, Nicholas Anderson Apr 2023

Deposition, Material Characterization, And Mechanical Testing Of Cr Containing Diamond-Like Carbon Films, Nicholas Anderson

LSU Master's Theses

A series of amorphous hydrogenated chromium containing diamond-like carbon films were deposited on 316 stainless steel substrates with a chromium interlayer through inductively coupled plasma assisted direct current magnetron sputtering. Details on the deposition process of these films are discussed. The film is characterized using scanning electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction, energy dispersive spectroscopy, and transmission electron microscopy. The coating hardness and indentation modulus is measured by instrumented nanoindentation. The coefficient of friction and the upper bound of the coating wear coefficient is measured using the pin-on-disk method. The fracture toughness of the diamond-like carbon film and a …


Physics-Based Crystal Plasticity Model For Predicting Microstructure Evolution And Dislocation Densities, Juyoung Jeong Mar 2023

Physics-Based Crystal Plasticity Model For Predicting Microstructure Evolution And Dislocation Densities, Juyoung Jeong

LSU Doctoral Dissertations

This work presents three different studies investigating plastic deformation mechanisms in metals and alloys using crystal plasticity finite element (CPFE) modeling. The first study presents a new nonlocal crystal plasticity model for face-centered cubic single crystals under heterogeneous inelastic deformation. The model incorporates generalized constitutive relations that incorporate the thermally activated and drag mechanisms to cover different kinetics of viscoplastic flow in metals and describes the plastic flow and yielding of single-crystals using dislocation densities. The model is compared to micropillar compression experiments for copper single crystals and clarifies the complex microstructural evolution of dislocation densities in metals. The second …


Atomistic Simulation Studies Of Thin Film Growth And Plastic Deformation In Metals And Metal/Ceramic Nanostructures, Reza Namakian Feb 2023

Atomistic Simulation Studies Of Thin Film Growth And Plastic Deformation In Metals And Metal/Ceramic Nanostructures, Reza Namakian

LSU Doctoral Dissertations

Despite the significant improvements in manufacturing and synthesis processes of metals and ceramics in the past decades, there are still areas in which the procedure is still frequently more of an art or skill rather than a science. Therefore, systematic and combined experimental and computational studies are required to facilitate the development of techniques that offer thorough understanding of the events taking place during manufacturing and synthesis processes. With regard to these issues, it is paramount to address microscale characterizations and atomic scale understanding of the events during fabrication processes. One of the focuses of this study is unraveling fundamental …


Non-Equilibrium Colloidal Phenomena In Magnetic Fields And Photoillumination: From Controlling Living Microbots To Understanding Microplastics, Ahmed Al Harraq Jan 2023

Non-Equilibrium Colloidal Phenomena In Magnetic Fields And Photoillumination: From Controlling Living Microbots To Understanding Microplastics, Ahmed Al Harraq

LSU Doctoral Dissertations

Colloids are a ubiquitous class of materials composed of microscopic particles suspended in a continuous phase which are found in everyday products and in nature. Colloids are also useful models for studying the spontaneous arrangement of matter from individual building blocks to mesophases. Standard treatment of colloid science is based on the assumption of equilibrium conditions, as defined in traditional thermodynamics. However, novel assembly mechanisms and motility are unlocked by pushing colloids away from equilibrium using external energy. In addition, many colloids in nature and in industrial applications exchange energy and mass with the surrounding environment thus behaving in a …


A Machine Learning Approach To Robotic Additive Manufacturing Of Uv-Curable Polymers Using Direct Ink Writing, Luis A. Velazquez Nov 2022

A Machine Learning Approach To Robotic Additive Manufacturing Of Uv-Curable Polymers Using Direct Ink Writing, Luis A. Velazquez

LSU Master's Theses

This thesis presents the design and implementation of a robotic additive manufacturing system that uses ultraviolet (UV)-curable thermoset polymers. Its design considers future applications involving free-standing 3D printing by means of partial UV curing and the fabrication of samples that are reinforced with fillers or fibers to manufacture complex-shape objects.

The proposed setup integrates a custom-built extruder with a UR5e collaborative manipulator. The capabilities of the system were demonstrated using Anycubic resin formulations containing fumed silica (FS) at varying weight fractions from 2.8 to 8 wt%. To fully cure the specimens after fabrication, a UV chamber was used. Then, measurements …


Predictive Thermal Modeling And Characterization Of Ultrasonic Consolidation Process For Thermoplastic Composites, Madeline Kirby Jul 2022

Predictive Thermal Modeling And Characterization Of Ultrasonic Consolidation Process For Thermoplastic Composites, Madeline Kirby

LSU Master's Theses

Ultrasonic consolidation (USC) of thermoplastic composites (TPCs) is a highly attractive and promising method to manufacture high-performance composites. This work focuses on USC of dry carbon fiber (CF) fabrics with high-temperature polyphenylene sulfide (PPS) films. Experimental trials to assess feasibility of the process are time-consuming. Consequently, a predictive thermal model would facilitate process parameters selection to reduce expensive trial-and-error approaches. This paper presents a 2D finite element model of samples under consolidation, incorporating equations for viscoelastic heating, matrix phase change, and material properties. Theoretical temperature profiles for nodes of interest were compared to the corresponding experimental temperature curves for various …


Machine Learning Assisted Discovery Of Shape Memory Polymers And Their Thermomechanical Modeling, Cheng Yan Apr 2022

Machine Learning Assisted Discovery Of Shape Memory Polymers And Their Thermomechanical Modeling, Cheng Yan

LSU Doctoral Dissertations

As a new class of smart materials, shape memory polymer (SMP) is gaining great attention in both academia and industry. One challenge is that the chemical space is huge, while the human intelligence is limited, so that discovery of new SMPs becomes more and more difficult. In this dissertation, by adopting a series of machine learning (ML) methods, two frameworks are established for discovering new thermoset shape memory polymers (TSMPs). Specifically, one of them is performed by a combination of four methods, i.e., the most recently proposed linear notation BigSMILES, supplementing existing dataset by reasonable approximation, a mixed dimension (1D …


Tuning Electrochemical Interactions And Polymer Electrolyte Interfaces For Enhanced Organic Acid Separations Using Electrodeionization, Matthew Leo Jordan Mar 2022

Tuning Electrochemical Interactions And Polymer Electrolyte Interfaces For Enhanced Organic Acid Separations Using Electrodeionization, Matthew Leo Jordan

LSU Doctoral Dissertations

Chemical separations are critical processes for chemical and industrial plants to purify and isolate products however current separation technologies, such as distillation, rely on energy intensive processes. Electrochemical separation processes, such as electrodialysis and electrodeionization, are an energy efficient alternative that are emerging as an alternative for thermal-based separations. Organic acids are weakly ionizable species and susceptible for purification from process streams using electrochemical processes. Recently the fermentation route has garnered greater attention as a means for producing value-added chemicals, such as organic acids, from a renewable feedstock and aiding the circular economy. Some of the challenges electrodialysis faces for …


Development Of Cost-Effective High-Modulus Asphalt Concrete (Hmac) Mixtures Using Crumb Rubber And Local Construction Materials In Louisiana., Ibrahim A.I.E Elnaml Mar 2022

Development Of Cost-Effective High-Modulus Asphalt Concrete (Hmac) Mixtures Using Crumb Rubber And Local Construction Materials In Louisiana., Ibrahim A.I.E Elnaml

LSU Master's Theses

One of the emerging solutions to enhance the durability of asphalt pavements is the use of a French asphalt mix known as “High-Modulus Asphalt Concrete (HMAC).” This mix uses a hard asphalt binder, high binder content (about 6%), and low air voids content as compared to Superpave mixtures. The key objective of this study was to develop a cost-effective HMAC mixture using crumb rubber and local materials in Louisiana. To achieve this objective, four HMAC mixtures were prepared using two asphalt binders (PG 82-22 and PG 76-22 plus 10% crumb rubber) and two Reclaimed Asphalt Pavement (RAP) contents (20% and …


Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath Mar 2022

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath

LSU Doctoral Dissertations

The mechanisms of ambient-temperature reactions of heteroatomic compounds catalyzed by ceria (CeO2), an archetypical reducible oxide, for enzyme mimetics, environmental protection, and chemical synthesis are investigated in this dissertation using theoretical methods. CeO2 is modeled with thermodynamically stable low-index surfaces exposed by commonly studied ceria thin films and nano particles. To understand phosphatase-like dephosphorylation activity, stable adsorption states and surface reactions of model phosphates are examined. Binding of the central P-atom to surface lattice oxygen (Olatt) supplemented by phosphoryl O-Ce interaction is the only stable adsorption state for the un-dissociated molecule. Deprotonation of phosphate monoesters, …


Design And Fabrication Of A Low-Cost, Portable, Battery-Operated Surface Enhanced Raman Scattering (Sers) Optical Device, Blessing Adewumi Jan 2022

Design And Fabrication Of A Low-Cost, Portable, Battery-Operated Surface Enhanced Raman Scattering (Sers) Optical Device, Blessing Adewumi

LSU Doctoral Dissertations

Raman Spectroscopy is a time-honored, non-invasive method for analyzing and identifying the molecular composition of materials. However, unenhanced Raman Spectroscopy has extremely low sensitivity which limits its sensing capability. SERS brings rough nano-metallic surfaces in contact with the material molecules to enormously enhance the Raman signals.

The sensitivity of SERS can be exploited in probe applications where the spectrometer needs to be brought near the specimen. For example, a long optical fiber coupled to a SERS device can be used to characterize and identify easy-to-reach cancerous tissues in organisms. Unfortunately, background signals in a long fiber can easily mask any …


Growth, Characterization, And Mechanical Testing Of Diamond-Like Carbon Films, Tailei Qi Nov 2021

Growth, Characterization, And Mechanical Testing Of Diamond-Like Carbon Films, Tailei Qi

LSU Master's Theses

The high residual stresses within diamond-like carbon (DLC) films limit its thickness and make the film tend to delaminate from the substrate and be defective on the surface. To address this problem, a new plasma enhanced chemical vapor deposition system (PECVD) was set up to investigate the effects of different film growth parameters on the DLC films, such as chromium doping, gas fluxes, depositing pressures, bias voltages, and depositing times. After the film growth parameters were optimized, this condition was transferred from silicon wafer to SS316 steel plate to deposition of DLC films with some adjustments. Scanning electron microscopy (SEM) …


Engineering The Surface Of Fe3o4 Nanoparticles For Catalytic And Magnetic Applications, Natalia Da Silva Moura Aug 2021

Engineering The Surface Of Fe3o4 Nanoparticles For Catalytic And Magnetic Applications, Natalia Da Silva Moura

LSU Doctoral Dissertations

With the rapid depletion of the U.S. energy resources coupled with population growth, heat management technologies must be improved to sustain our quality of life. Precisely, in catalysis, it is estimated that only ~50% of the energy supplied to the reactor is used for product conversion due to dissipation losses. Among the emerging technologies with a promising reduction in heat losses is induction heating, offering targeted heat delivery with magnetic nanoparticles. Under alternating magnetic fields (AMF), these nanoparticles can absorb the energy from Radio-Frequency (RF) fields and dissipate it as heat on the nanoparticle surface. This in situ heat generation …


Laser Surface Treatment And Laser Powder Bed Fusion Additive Manufacturing Study Using Custom Designed 3d Printer And The Application Of Machine Learning In Materials Science, Hao Wen Aug 2021

Laser Surface Treatment And Laser Powder Bed Fusion Additive Manufacturing Study Using Custom Designed 3d Printer And The Application Of Machine Learning In Materials Science, Hao Wen

LSU Doctoral Dissertations

Selective Laser Melting (SLM) is a laser powder bed fusion (L-PBF) based additive manufacturing (AM) method, which uses a laser beam to melt the selected areas of the metal powder bed. A customized SLM 3D printer that can handle a small quantity of metal powders was built in the lab to achieve versatile research purposes. The hardware design, electrical diagrams, and software functions are introduced in Chapter 2. Several laser surface engineering and SLM experiments were conducted using this customized machine which showed the functionality of the machine and some prospective fields that this machine can be utilized. Chapter 3 …


Direct Activation Of Light Alkanes To Value-Added Chemicals Using Supported Metal Oxide Catalysts, Md Ashraful Abedin Aug 2021

Direct Activation Of Light Alkanes To Value-Added Chemicals Using Supported Metal Oxide Catalysts, Md Ashraful Abedin

LSU Doctoral Dissertations

One of the most challenging aspects of modern-day catalysis is the conversion of methane. Direct conversion of methane via dehydroaromatization (MDHA) is a well-known process which can produce valuable hydrocarbons. Mo oxide supported on ZSM-5/MCM-22 has been studied extensively in recent years for MDHA. Mo carbides are responsible for activating methane by forming CHx species. These are dimerized into C2Hy and oligomerized on ZSM-5/MCM-22 Brønsted acid sites to form aromatics. Sulfated zirconia (SZ) supported Mo catalyst contains the acid sites necessary to produce benzene in MDHA. Here, sulfated hafnia (SH), a homologous oxide like SZ, has been proposed to provide …


Degumming Of Hemp Fibers Using Combined Microwave Energy And Deep Eutectic Solvent, Bulbul Ahmed Jul 2021

Degumming Of Hemp Fibers Using Combined Microwave Energy And Deep Eutectic Solvent, Bulbul Ahmed

LSU Master's Theses

Hemp is considered as one of the sustainable agricultural fiber materials. Degumming or surface modification of hemp bast is needed to produce single fibers for ensuing textile and industrial applications. The traditional degumming process necessitates a high amount of alkali, which causes detrimental environmental pollution. This study offers a new method to degum hemp fibers with reduced use of harmful alkali and precious water resources. In this work, hemp bast fibers were degummed by using combined microwave energy and deep eutectic solvent (DES). The properties of hemp fibers manufactured by this method were investigated and compared with the traditional alkali …


Atomistic Thermo-Mechanical Description Of The Deformation Behavior, Scaling Laws, And Constitutive Modeling Of Nanoporous Gold, Mohammed Hassan Yousef Saffarini Jun 2021

Atomistic Thermo-Mechanical Description Of The Deformation Behavior, Scaling Laws, And Constitutive Modeling Of Nanoporous Gold, Mohammed Hassan Yousef Saffarini

LSU Doctoral Dissertations

Metallic foams, or nanoporous (NP) metals as it is widely referred to in literature, with ligament sizes up to a few tens of nm show exceptional mechanical properties such as high strength and stiffness per weight ratio under different loading scenarios due to their high surface area to solid volume ratio. Therefore, they can be utilized in a wide range of applications making them of great interest to researchers. While their elasticity and yield strength have been the subject of several studies, very limited attention was given to the effect of size, strain rate, and temperature on the material plastic …


Solid State Synthesis And Characterization Of Apatite Based Ceramic Waste Form For The Immobilization Of Radioactive Iodine, Md Imdadul Islam Mar 2021

Solid State Synthesis And Characterization Of Apatite Based Ceramic Waste Form For The Immobilization Of Radioactive Iodine, Md Imdadul Islam

LSU Doctoral Dissertations

The growing demand for nuclear power in the United States and worldwide is accountable for addressing the major concern of radioactive waste, involving the technical challenges of maintaining the nuclear fuel cycle and immobilizing high-level wastes for safe disposal in geological storage. The appropriate selection of waste forms for spent nuclear fuel such as fission products and radionuclides can be effective means for a feasible and sustainable nuclear fuel cycle. But highly volatile radionuclides such as iodine (129) are of specific concern due to its extraordinary long half-life (15.7 million years). Due to its poor solubility and high volatility at …


Study Of Laser Based Additive Manufacturing For Titanium And Copper Alloys, Congyuan Zeng Mar 2021

Study Of Laser Based Additive Manufacturing For Titanium And Copper Alloys, Congyuan Zeng

LSU Doctoral Dissertations

Material processing by laser is increasingly applied in industrial applications for its outstanding characteristics, such as localized heating, high efficiency, and high manufacturing precision. In this study, two kinds of laser material processing strategies were investigated, namely laser surface engineering and laser-powder-bed fusion additive manufacturing, with pure titanium and copper alloys as target materials, respectively.

For laser surface engineering related studies, the work includes the investigation of the dynamic interactions between titanium and pure nitrogen or ambient air under transient laser processing conditions. Thanks to the in-situ synchrotron X-ray diffraction tests, the high-temperature reaction steps between titanium and pure nitrogen/ambient …


Characterization, Immobilization, And Polymer Related Applications Of Watermelon Seed Powder, A Practical Source Of Urease Enzyme, Anthony Quan Quoc Mai Feb 2021

Characterization, Immobilization, And Polymer Related Applications Of Watermelon Seed Powder, A Practical Source Of Urease Enzyme, Anthony Quan Quoc Mai

LSU Doctoral Dissertations

Urease enzyme was crystallized almost a century ago, and to this day its intrinsic stability is not ideal for everyday applications. This work introduces a new process by which a naturally encapsulated material, watermelon seed powder (WMSP), is characterized for its stability and activity. WMSP enzymatic activity has been measured for over a year at various storage conditions—exposed to ambient atmosphere for a year, WMSP retained above 90% activity. In aqueous conditions, the enzyme maintained above 60% activity after two months; with the addition of a preservative that number stays at about 90%. There is a pH shift of the …


Interface Engineering Of Materials For Energy And Biological Applications, Ardalan Chaichi Dec 2020

Interface Engineering Of Materials For Energy And Biological Applications, Ardalan Chaichi

LSU Doctoral Dissertations

Interface interactions are generally classified into solid-liquid, solid-gas, solid-vacuum, liquid-gas, light-matter and electron-matter categories. Surface morphological studies as well as surface chemical reactions can be studied in various types of complex systems thanks to technological advances in materials characterization methods. By employing interface engineering in different applications, it is possible to control electrical, chemical, mechanical, optical and biological properties of materials. Accordingly, we have applied interface engineering in three different areas of energy materials, biomaterials and surface imaging. As a result, firstly, we have introduced a high intensity light flash-based method on engineered substrates for delamination of reduced graphene oxide …


Noble-Transition Alloy Absorbers For Near-Infrared Hot-Carrier Optoelectronics, Sara Karoline Figueiredo Stofela Jan 2020

Noble-Transition Alloy Absorbers For Near-Infrared Hot-Carrier Optoelectronics, Sara Karoline Figueiredo Stofela

LSU Doctoral Dissertations

Optoelectronics is the field of technology concerned with the study and application of electronic devices that source, detect and control light. Here we focus on the optical communications field which relies on optical fiber systems to carry signals to their destinations operating in the near-infrared range. To improve the performance of current optical fiber systems, one of the paths is to develop better near-infrared photodetectors.

The current group of materials used for near-infrared photodetection relies in the III-V semiconductor family. Although their spectral photosensitivity correlates well with the near-infrared, response time performance and electronic circuit integration remain limited for this …


Molecular Dynamics Simulations Of Interaction Of Dna Nucleotides And Lignin Oligomers With Small Molecules And Interfaces, Xinjie Tong Nov 2019

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 Nov 2019

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 …