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Diffusion

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Full-Text Articles in Engineering

Characterization Analysis And Design Of Mid-Wave Infrared Iii- V-Based Type-Ii Superlattice Nbn Photodetectors For Space Applications, Alexander Timothy Newell Nov 2023

Characterization Analysis And Design Of Mid-Wave Infrared Iii- V-Based Type-Ii Superlattice Nbn Photodetectors For Space Applications, Alexander Timothy Newell

Electrical and Computer Engineering ETDs

The performance of the mid-wave infrared InGaAs/InAsSb nBn photodetector is investigated and its viability for space applications is assessed. Three structures are grown with unique absorber layer doping profiles via molecular beam epitaxy. Material and device characterizations are performed and analyzed to determine the effects of doping on fundamental material parameters and detector performance. Noise-equivalent irradiance is calculated to be a factor of 4x that of an ideal detector exhibiting Rule 07 dark current and 100% quantum efficiency, demonstrating high sensitivity. The structures are then irradiated with 63 MeV protons to evaluate the extent of performance degradation over the course …


Effects Of Confinement On Ionic Liquids And Deep Eutectic Solvents For The Design Of Catalytic Systems, Electrochemical Devices, And Separations, Andrew Drake Jan 2023

Effects Of Confinement On Ionic Liquids And Deep Eutectic Solvents For The Design Of Catalytic Systems, Electrochemical Devices, And Separations, Andrew Drake

Theses and Dissertations--Chemical and Materials Engineering

Confinement of ionic liquids (ILs) and deep eutectic solvents (DESs) within mesoporous materials such as silica helps to control the local environment within the pores for applications such as catalysis, electrochemistry, and absorption. Silica thin films with 2.5 and 8 nm pores and micron-sized silica particles with pore diameters of 5.4 and 9 nm were synthesized to study the effect of nanoconfinement on ILs 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), and DESs reline and ethaline (choline chloride and urea or ethylene glycol). Silica thin films with vertically aligned, well ordered, and accessible pores were synthesized via the evaporation-induced …


A Detailed Parameter Study Into The Dermal Absorption Of Chemical Warfare Agents And The Effects Of Pharmacokinetics, Koko Lear May 2022

A Detailed Parameter Study Into The Dermal Absorption Of Chemical Warfare Agents And The Effects Of Pharmacokinetics, Koko Lear

Theses

Chemical warfare agents (CWAs) are substances of varying toxicity profiles. These chemicals exhibit complex dynamics and pose a serious health risk when released into the environment. A mathematical model based on Fick’s second law of diffusion was developed to comprehend how these compounds were absorbed into the skin. The analysis applied to both small and large doses and, successfully, predicted experimental results. This work also includes the effects of CWA physicochemical properties on evaporation and dermal absorption through the stratum corneum. A sensitivity analysis was conducted to assess the impacts of small variations in the initial dose, environmental conditions, and …


Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez May 2022

Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez

Chemical Engineering Undergraduate Honors Theses

Diffusion is defined as the net transfer of a molecule from a high concentration region to a low concentration region. The concept of diffusion is used in a very important process called "desalination." Desalination is a separation process used to reduce the salt content dissolved in brackish water to make it suitable for human consumption, irrigation, and industrial use.

In desalination plants, it is important to monitor the constantly changing salt content of water, partly due to the diffusive effect. The main purpose of this experiment was to study the diffusion of NaCl in water at two NaCl concentrations. The …


Molecular Dynamics Study Of Atomic Diffusion In Cantor High Entropy Alloy In The Selective Laser Melting Process, Mathew Z. Farias Dec 2021

Molecular Dynamics Study Of Atomic Diffusion In Cantor High Entropy Alloy In The Selective Laser Melting Process, Mathew Z. Farias

Theses and Dissertations

High entropy alloys (HEAs) are compositionally complex alloys that are comprised of 5 or more principle elements at near equimolar concentrations. The Selective Laser Melting (SLM) method generally melts pure elemental powders or prefabricated alloy powders, this process allows for the production of heterogeneous structures that would be difficult to create through more conventional means. In-situ alloying in SLM, or Laser Additive Alloying (LAA), using pure elemental powders is a promising means of producing what would otherwise be costly and difficult to fabricate products with less defects using prefabricated powders, therefore this new approach could enable the ability to …


Enhanced Oil Recovery In Tight Rocks Using The “Slot-Drill” Completion, Hassan Amer Jul 2021

Enhanced Oil Recovery In Tight Rocks Using The “Slot-Drill” Completion, Hassan Amer

LSU Master's Theses

Enhanced oil recovery (EOR) is essential in shale/tight formations because primary recovery typically produces less than 10% of the original hydrocarbon in-place (OHIP). This work presents a novel “slot-drill” EOR technology, which involves injecting gas through a horizontal fracture that is cut into the formation near the top of the reservoir (using a tensioned abrasive cutting cable mounted to the drillstring) and producing oil from a second slot-drilled horizontal fracture near the bottom of the reservoir.

The dusty-gas diffusion model was implemented in a compositional simulator to account for the diffusion mechanism expected during the injection of gases in this …


Establishing Independent Tunability Of The Mechanical And Transport Properties Of Polymer Gels, Lucas Rankin Jan 2021

Establishing Independent Tunability Of The Mechanical And Transport Properties Of Polymer Gels, Lucas Rankin

Master’s Theses

Polymer gels can be used in the fabrication of materials for filtering liquid and gaseous media, solid-state electrolytes, and transdermal medical patches. This diverse range of applications primarily relies on the transport and mechanical properties of polymer gels. Both sets of properties have shown excellent tunability, but typically in a coupled fashion. Establishing the independent tunability of the transport and mechanical properties of polymer gels (using simple, cost-effective methods) is paramount if polymer gels are to be used to their full potential. Specifically, block copolymer gels self-assemble into organized nanoscale networks within the gel solvent, which allows for facile control …


Complementary Techniques To Study The Behavior Of Water And The Effect On Diffusion And Degradation In Hydrogels, Paige Rockwell Jan 2021

Complementary Techniques To Study The Behavior Of Water And The Effect On Diffusion And Degradation In Hydrogels, Paige Rockwell

Master’s Theses

Hydrogels exhibit biocompatibility in a range of biomedical applications, including drug delivery. This thesis aims to develop complementary techniques to measure the diffusion and degradation behaviors within an injectable, hydrolytically degradable hydrogel, formed via the covalent crosslinking of ethoxylated trimethylolpropane tri-3- mercaptopropionate (ETTMP) and poly(ethylene glycol) diacrylate (PEGDA), to determine its suitability as a drug delivery matrix. The characterization of water as either free, within the network openings of the hydrogel, or bound, tightly associated with the polymer chains, was determined using differential scanning calorimetry (DSC). The mobility of each type of water within the hydrogels was determined via nuclear …


Effects Of Microporous Structure On The Enzymatic Conversion Of Biomass Using A Multiscale Model, Saketh Merugu Jan 2021

Effects Of Microporous Structure On The Enzymatic Conversion Of Biomass Using A Multiscale Model, Saketh Merugu

Dissertations, Master's Theses and Master's Reports

The generation of biofuels from lignocellulosic biomass involves innovative process technology that is being investigated worldwide. Enzymatic hydrolysis is a major step in the contemporary process of the generation of biofuels. Guided by pore size distribution measured using NMR cryoporometry, we developed pore-enzyme diffusion and adsorption models at the particle level coupled with a kinetic model for cellulose, cellobiose, and glucose production at flask level. By simulating these models in MATLAB, COMSOL, and Polymath software packages, we investigate the effects of various biomass particle-related parameters (particle dimensions, porosity, enzyme accessibility) on the characteristic time of enzyme diffusion and adsorption and …


Assessing The Impact Of Block-Selective Homopolymers On The Diffusion Of Payload Through Polymeric Organogels, Ian Coates Jan 2021

Assessing The Impact Of Block-Selective Homopolymers On The Diffusion Of Payload Through Polymeric Organogels, Ian Coates

Honors Theses

Styrenic polymer gels have received recent attention for their application in transdermal patches due to their unique properties. Previous research in the pharmaceutical industry has identified that polymeric gels, specifically styrenic gels, have the potential to encompass multiple functions of the transdermal delivery patch including controlling mechanical and delivery properties. To tailor styrenic gels either the gel nanostructure or the drug complex can be controlled. Specifically, this thesis investigated the effect of gel nanostructure in an attempt to control the gel diffusivity and mechanical properties. To control gel nanostructure a phase selective styrene homopolymer was used at varying concentrations. It …


Functionalizing Ceramic Matrix Composites By The Integration Of A Metallic Substructure With Comparable Feature Size, Elizabeth Pierce Heckman Jan 2021

Functionalizing Ceramic Matrix Composites By The Integration Of A Metallic Substructure With Comparable Feature Size, Elizabeth Pierce Heckman

Browse all Theses and Dissertations

A metallic network has been embedded in a silicon carbide fiber– silicon carbide (SiC) matrix ceramic composite (CMC) in order to combine the functional properties of the metal and the structural properties of the CMC. The processing of the composite involves iterative pre-ceramic polymer infiltration and heating to temperatures at 1100°C. The metallic structure embedded in the CMC must retain its unique properties during processing and cannot convert to a silicide or carbide resulting from diffusion of Si and C species from the SiC matrix. To gain an understanding of the diffusion process, a fully processed CMC with tungsten, tantalum, …


Modeling Mass Transfer And Chemical Reaction In Industrial Nitrocellulose Manufacturing Processes, Francis Patrick Sullivan Dec 2020

Modeling Mass Transfer And Chemical Reaction In Industrial Nitrocellulose Manufacturing Processes, Francis Patrick Sullivan

Dissertations

A series of models are proposed to describe the production of military grade nitrocellulose from dense cellulose materials in mixtures of nitric acid, sulfuric acid, and water. This effort is conducted to provide a predictive capability for analyzing the rate and extent of reaction achieved under a range of reaction conditions used in the industrial nitrocellulose manufacturing process for sheeted cellulose materials. Because this capability does not presently exist, nitrocellulose producers have historically relied on a very narrow range of cellulose raw materials and resorted to trial and error methods to develop processing conditions for new materials. This tool enables …


Mitigation Of Electromigration In Metal Interconnects Passivated By Ångstrom-Thin 2d Materials, Yunjo Jeong Oct 2020

Mitigation Of Electromigration In Metal Interconnects Passivated By Ångstrom-Thin 2d Materials, Yunjo Jeong

USF Tampa Graduate Theses and Dissertations

Electromigration in metal interconnects remains one of the most prominent challenges in the state-of-the-art semiconductor industry. A phenomenon defined as the momentum transfer from electrons in an electric current to the metal atoms in a conductor, electromigration creates voids and hillocks that ultimately cause failures in nanoelectronics due to short or open circuits. Additionally, electromigration induces undesirable diffusion of metal atoms into the dielectric material, forcing the need for a barrier material that can mitigate such adverse effects of the phenomenon. However, extremely tight dimensional control of modern transistor designs imposes reduced dimensions of the interconnects in order to accommodate …


Capillary Flow Of Liquid Aluminum Alloy In Wetting And Wetting/Non-Wetting Systems, Yangyang Wu Jan 2020

Capillary Flow Of Liquid Aluminum Alloy In Wetting And Wetting/Non-Wetting Systems, Yangyang Wu

Theses and Dissertations--Mechanical Engineering

In this dissertation, the capillary flow of liquid aluminum alloy in both wetting and wetting/non-wetting systems is investigated.

The impact of gravity and surface topography on the capillary flow has been studied in a wetting/non-wetting assembly (an AA3003/Al2O3 wedge-tee configuration). The research includes (i) kinetics of liquid Al-Si-KxAlyFz alloy triple line movements and dynamic macro advancing and receding contact angles and (ii) free surface profiles of the molten alloy driven by surface tension and impacted by gravity. A trade-off between the surface tension and gravity force has been found by calculating the …


Elucidating The Properties And Mechanism For Cellulose Dissolution In Tetrabutylphosphonium-Based Ionic Liquids Using High Concentrations Of Water, Brad Crawford Jan 2020

Elucidating The Properties And Mechanism For Cellulose Dissolution In Tetrabutylphosphonium-Based Ionic Liquids Using High Concentrations Of Water, Brad Crawford

Graduate Theses, Dissertations, and Problem Reports

The structural, transport, and thermodynamic properties related to cellulose dissolution by tetrabutylphosphonium chloride (TBPCl) and tetrabutylphosphonium hydroxide (TBPH)-water mixtures have been calculated via molecular dynamics simulations. For both ionic liquid (IL)-water solutions, water veins begin to form between the TBPs interlocking arms at 80 mol % water, opening a pathway for the diffusion of the anions, cations, and water. The water veins allow for a diffusion regime shift in the concentration region from 80 to 92.5 mol % water, providing a higher probability of solvent interaction with the dissolving cellulose strand. The hydrogen bonding was compared between small and large …


Polymeric Impulsive Actuation Mechanisms: Development, Characterization, And Modeling, Yongjin Kim Oct 2019

Polymeric Impulsive Actuation Mechanisms: Development, Characterization, And Modeling, Yongjin Kim

Doctoral Dissertations

Recent advances in the field of biomedical and life-sciences are increasingly demanding more life-like actuation with higher degrees of freedom in motion at small scales. Many researchers have developed various solutions to satisfy these emerging requirements. In many cases, new solutions are made possible with the development of novel polymeric actuators. Advances in polymeric actuation not only addressed problems concerning low degree of freedom in motion, large system size, and bio-incompatibility associated with conventional actuators, but also led to the discovery of novel applications, which were previously unattainable with conventional engineered systems. This dissertation focuses on developing novel actuation mechanisms …


Synthesis And Molecular Transport Studies In Zeolites And Nanoporous Membranes, Vivek Vattipalli Mar 2019

Synthesis And Molecular Transport Studies In Zeolites And Nanoporous Membranes, Vivek Vattipalli

Doctoral Dissertations

The advent of nanoporous materials such as zeolites and nanoporous membranes has provided cost-effective solutions to some of the most pressing problems of the 20th century such as the conversion of crude oil into fuels and valuable chemicals. Hierarchical zeolites and mesoporous inorganic membranes are showing great promise in addressing new problems such as the conversion of biomass into value-added chemicals and development of energy-efficient separation processes. The synthesis and fundamental aspects of molecular transport in these new materials with hierarchical porosities need to be better understood in order to rationally develop them for these desired applications. Pore narrowing …


Spatiotemporal Modeling And Model Restructuration Approaches In Studies Of Intracellular Signalling Pathways, Md Shahinuzzaman Jan 2019

Spatiotemporal Modeling And Model Restructuration Approaches In Studies Of Intracellular Signalling Pathways, Md Shahinuzzaman

Doctoral Dissertations

"The main focus of the research is to understand the complex phenomena of cell transduction pathways and cell biology in a single cell. Mathematical modeling and experimental evaluation are widely used approaches for this kind of research. Firstly, A multiscale framework for protein-protein interaction has been established using Brownian dynamics algorithm. Sit specific feature, steric collision, diffusion, co-localization and complex formation with time and space has been included in this spatial modeling framework. By implementation of the time adaptive feature in this framework, the computation time reduces in an order of magnitude compared with traditional modeling framework. This multiscale Brownian …


Development And Characterization Of Nanostructured Steels And High Entropy Alloys For Nuclear Applications, Andrew Kalevi Hoffman Jan 2019

Development And Characterization Of Nanostructured Steels And High Entropy Alloys For Nuclear Applications, Andrew Kalevi Hoffman

Doctoral Dissertations

"Nuclear reactor materials are subjected to a harsh environment including high temperatures and radiation fluences. In order to extend the lifetime of current light water reactors (LWRs) and realize the development of advanced Gen IV nuclear reactors new materials must be developed which can withstand such an environment. This thesis involves two approaches to solving this materials problem: advanced manufacturing of current commercial alloys using severe plastic deformation (SPD) and the development of new advanced high entropy alloys (HEAs).

Because SPD is effective at achieving grain refinement, this technique was used to obtain material having a high volume fraction of …


Utilization Of Scale In Keypoint Detection And Feature Description, Andrew P. Rhodes Jan 2019

Utilization Of Scale In Keypoint Detection And Feature Description, Andrew P. Rhodes

Graduate Theses, Dissertations, and Problem Reports

Ubiquitous availability of inexpensive three dimensional (3D) sensors has led to an abundance of keypoint detection and feature description techniques for point-clouds. While some recent methods utilize color along with geometric information, most only implicitly discuss -- if not completely disregard -- the information provided by scale. Scale is an inherent characteristic of any keypoint or feature that describes its physical size or region of support.

Exploiting information provided by scale facilitates the processes of keypoint detection and feature description. A 3D scale-space, extended from robust and popular 2D methods, is constructed to diffuse a signal on triangulated meshes. Methods …


Design Of Diffusiometer For Aerogel Monoliths, Kamin Sylvia Jun 2018

Design Of Diffusiometer For Aerogel Monoliths, Kamin Sylvia

Honors Theses

Aerogels’ have great potential to be used as catalytic substrates and filters. To use them as such, we must first understand how gas flows through them. Diffusivity is a property of aerogels that relates the gas flow through a sample with the pressure gradient driving the flow. This project sets out to design an experimental apparatus (diffusiometer) and methodology that can be used to obtain diffusivity values of various kinds of aerogels. Adapting the method outlined in Stumpf et. al 1992[1], a diffusiometer was designed and built for aerogels at sub-atmospheric pressures. This device utilizes a control mass system rather …


Numerical Study Of Oxidation In Stainless Steel Alloy Ep-823 By Liquid Lead-Bismuth Eutectic, Rajyalakshmi Palaparty May 2018

Numerical Study Of Oxidation In Stainless Steel Alloy Ep-823 By Liquid Lead-Bismuth Eutectic, Rajyalakshmi Palaparty

UNLV Theses, Dissertations, Professional Papers, and Capstones

The oxidation of stainless steel is influenced by the presence of oxygen in the surrounding medium; the oxygen reacts with the alloy to form an oxide. In certain environments, such as nuclear reactor coolant systems, minimal oxidation of the stainless steel containment functions as a protective shield from corrosive coolants such as liquid lead-bismuth eutectic.

In the current study, this minimal oxidation is evaluated for a system in which corrosion-resistant stainless steel alloy EP-823 is subject to an environment of flowing oxygenated liquid lead-bismuth eutectic at a temperature of 743 K, whereby the thickness of the forming oxide layer is …


Chloride Concentration And Blow-Through Analysis For Concrete Bridge Decks Rehabilitated Using Hydro-Demolition, Elizabeth Ashleigh Roper Apr 2018

Chloride Concentration And Blow-Through Analysis For Concrete Bridge Decks Rehabilitated Using Hydro-Demolition, Elizabeth Ashleigh Roper

Theses and Dissertations

The objectives of this research were 1) to investigate the effects of hydrodemolition treatment timing on chloride concentration profiles in concrete bridge decks for depths of concrete removal below the top mat of reinforcing steel and 2) to investigate factors that influence the occurrence of blow-throughs in concrete bridge decks when hydrodemolition is used. The research results are intended to provide engineers with guidance about the latest timing of hydrodemolition that can maintain a chloride concentration level below 2.0 lb of chloride per cubic yard of concrete at the levels of both the top and bottom mats of reinforcing steel, …


Influence Of Natural Convection During Dendritic Array Growth Of Metal Alloys (Gradient Freeze Directional Solidification), Suyog N. Mahajan Jan 2018

Influence Of Natural Convection During Dendritic Array Growth Of Metal Alloys (Gradient Freeze Directional Solidification), Suyog N. Mahajan

ETD Archive

Purpose of this study was to examine the microstructural evolution of primary dendrites during Gradient Freeze Directional Solidification process in cylindrical Pb-5.8% Sb alloy samples to generate the ground- based research data to support a future microgravity experiment on the Space Station in a convection free environment. Pb-5.8Sb was selected for this study because of its ease of processing and availability of physical property data which will be required for predicting the dendrite morphology parameters, such as, primary dendrite spacing and dendrite trunk diameter. This alloy is also susceptible to thermosolutal convection caused by density inversion of the met in …


Fluid Flow In A Krogh Cylinder: A Model For A Single Capillary And Surrounding Tissue, Xianjie Qiu Jan 2018

Fluid Flow In A Krogh Cylinder: A Model For A Single Capillary And Surrounding Tissue, Xianjie Qiu

Masters Theses

"A model describing the flow of plasma from the capillaries to the interstitial space in the extravascular tissue and back into the capillaries is constructed and solved. The flow through the tissue or the interstitial spaces is described by the Brinkman equation for porous medium, modified to account for the presence of cells considered as spheres. The flow of blood through the capillaries is considered to be that of a Newtonian fluid. The flow between capillary and tissue is coupled by the permeability of the capillary wall. The nature of flow and its magnitude was found to be highly dependent …


Microstructural Evaluation Of Hydrogen Embrittlement And Successive Recovery In Advanced High Strength Steel, Quentin Scott Allen Dec 2017

Microstructural Evaluation Of Hydrogen Embrittlement And Successive Recovery In Advanced High Strength Steel, Quentin Scott Allen

Theses and Dissertations

Advanced high strength steels (AHSS) have high susceptibility to hydrogen embrittlement, and are often exposed to hydrogen environments in processing. In order to study the embrittlement and recovery of steel, tensile tests were conducted on two different types of AHSS over time after hydrogen charging. Concentration measurements and hydrogen microprinting were carried out at the same time steps to visualize the hydrogen behavior during recovery. The diffusible hydrogen concentration was found to decay exponentially, and equations were found for the two types of steel. Hydrogen concentration decay rates were calculated to be -0.355 /hr in TBF steel, and -0.225 /hr …


Microbial Desalination Cells With Efficient Platinum Group Metal-Free Cathode Catalysts, Morteza Rezaei Talarposhti Nov 2017

Microbial Desalination Cells With Efficient Platinum Group Metal-Free Cathode Catalysts, Morteza Rezaei Talarposhti

Chemical and Biological Engineering ETDs

Iron-nitrogen-carbon based catalyst was used at the cathode of a microbial desalination cell (MDC) and compared with platinum (Pt) and activated carbon (AC) cathode. Fe-N-C catalyst was prepared using nicarbazin (NCB) as organic precursor by sacrificial support method (SSM). Rotating ring disk electrode (RRDE) experiments shows that Fe-NCB had higher electrocatalytic activity compared to AC and Pt. The utilization of Fe-NCB into the cathode improved substantially the performance output with initial maximum power density of 49±2 μWcm-2 in contrast to Pt and AC catalysts which have shown lower values of 34±1 μWcm-2 and 23.5±1.5 μWcm-2, respectively. …


Sensitivity Of Vver-1000 Spent Fuel Pin Nuclide Inventory To Operational Parameters, Nicholas Patrick Luciano May 2017

Sensitivity Of Vver-1000 Spent Fuel Pin Nuclide Inventory To Operational Parameters, Nicholas Patrick Luciano

Doctoral Dissertations

Tools that can rapidly compute the isotopic composition of spent nuclear fuel (SNF) are useful for many reasons, including safety and security. Although tools exist to compute approximate isotopic compositions, detailed fuel composition requires reactor simulation that result from normal and off-normal operations. Reactor simulation is typically performed using nodal core simulators. These codes perform their calculations rapidly, but they may not compute isotopic composition.

The Russian designed VVER is a pressurized water reactor that uses hexagonal fuel assemblies with triangularly pitched fuel rods and annular pellets. The international expansion of VVER-1000 reactor technology has motivated a renewed interest in …


Computational Modeling Of Percolation Conduction And Diffusion Of Heterogeneous Materials, Jian Qiu Jan 2017

Computational Modeling Of Percolation Conduction And Diffusion Of Heterogeneous Materials, Jian Qiu

Electronic Theses and Dissertations

Heterogeneous materials provide a unique combination of desirable mechanical, thermal or electrical properties. This dissertation presents several micro-structure modeling approaches to predict the effective properties of heterogeneous materials and demonstrates its certain application toward two highly heterogeneous, unconventional structural composite materials (carbon fiber reinforced composite materials and graphene nanoplatelets composite). By using the efficient computational algorithm based on the FEA, a randomly oriented disk-shaped particles system are generated. A new element partition scheme based on the vector operations and geometry of inclusion has been implemented to mesh the intersected disks. The computed equivalent conductivity is expressed as a power-law function …


Dft Study On The Li Mobility In Li-Ion-Based Solid-State Electrolytes, Shafiqul Islam Jan 2017

Dft Study On The Li Mobility In Li-Ion-Based Solid-State Electrolytes, Shafiqul Islam

MSU Graduate Theses

I have investigated the diffusion mechanisms of Li-ion in amorphous lithium phosphite (LiPO3) with addition of sulphur. By applying the nudge elastic band (NEB) method in crystal LiPO3 and Li3PO4, I confirmed the easing of diffusion pathways for Li ion in LiPO3 which is consistent with the previous theoretical finding[1]. From the diffusion study in 0.5 Li2O- 0.5 P2O5 and 0.4 Li2SO4 – 0.6 (Li2O-P2O5) melts above 3000K performed with ab-initio molecular dynamics (AIMD), produces identical outcome as …