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Theses/Dissertations

University of Tennessee, Knoxville

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Articles 1 - 22 of 22

Full-Text Articles in Nanoscience and Nanotechnology

Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha Dec 2017

Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha

Doctoral Dissertations

The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and simulation studies have confirmed fast water transport rates comparable to those seen in biological aquaporin channels. These outstanding features of high water permeability and high solute rejection of even dissolved ions that would typically require a lot of energy for separation in commercial processes makes carbon nanotubes an exciting candidate for desalination membranes. Extending ion exclusion beyond simple mechanical sieving by the inclusion of electrostatics via added functionality to the nanotube bears promise to not ...


Advanced Purification And Direct-Write 3d Nanoprinting Via Focused Electron Beam Induced Deposition, Brett Bloxton Lewis Aug 2017

Advanced Purification And Direct-Write 3d Nanoprinting Via Focused Electron Beam Induced Deposition, Brett Bloxton Lewis

Doctoral Dissertations

This dissertation addresses three difficulties with focused electron beam induced deposition preventing broader application; purity, spatial control, and mechanical characterization.

Focused electron beam induced deposition (FEBID) has many advantages as a nanoscale fabrication tool. It is compatible for implementation into current lithographic techniques and has the potential to direct-write in a single step nanostructures of a high degree of complexity. FEBID is a very versatile tool capable of fabricating structures of many different compositions ranging from insulating oxides to conducting metals.

Due to the complexity of the technique and the difficulty in directly measuring many important variables, FEBID has remained ...


Nanoscale Investigations Of Thermal And Momentum Transport In Graphene – Water Systems, Drew Champion Marable May 2017

Nanoscale Investigations Of Thermal And Momentum Transport In Graphene – Water Systems, Drew Champion Marable

Masters Theses

Demand for miniaturized electronic devices has given rise to new challenges in thermal management. Integration with graphene, a two-dimensional (2D) material with excellent thermal properties, allows for further reduced sizes and combats thermal management issues within novel devices. Moreover, due to its wide availability and adequate thermal properties, liquid water is commonly used within traditional thermal systems to enhance cooling performance; as such, water is expected to yield similar performance in smaller-scale applications. However, at reduced sizes descending to the nanoscale realm, system behaviors deviate from traditional macroscale-based theory as interfacial effects become amplified. Employing insight provided by molecular dynamics ...


Lignin-Based Li-Ion Anode Materials Synthesized From Low-Cost Renewable Resources, Nicholas William Mcnutt Aug 2016

Lignin-Based Li-Ion Anode Materials Synthesized From Low-Cost Renewable Resources, Nicholas William Mcnutt

Doctoral Dissertations

In today’s world, the demand for novel methods of energy storage is increasing rapidly, particularly with the rise of portable electronic devices, electric vehicles, and the personal consumption and storage of solar energy. While other technologies have arguably improved at a rate that is exponential in accordance with Moore’s law, battery technology has lagged behind largely due to the difficulty in devising new electric storage systems that are simultaneously high performing, inexpensive, and safe.

In order to tackle these challenges, novel Li-ion battery anodes have been developed at Oak Ridge National Laboratory that are made from lignin, a ...


Symbiotic Plasmonic Nanomaterials: Synthesis And Properties, Abhinav Malasi May 2016

Symbiotic Plasmonic Nanomaterials: Synthesis And Properties, Abhinav Malasi

Doctoral Dissertations

Metal particles of the dimensions of the order of 1 to 100's of nanometers show unique properties that are not clearly evident in their bulk state. These nanoparticles are highly reactive and sensitive to the changes in the vicinity of the particle surface and hence find applications in the field of sensing of chemical and biological agents, catalysis, energy harvesting, data storage and many more. By synthesizing bimetallic nanoparticles, a single nanoparticle can show multifunctional characteristics. The focus of this thesis is to detail the synthesis and understand the properties of bimetallic nanomaterial systems that show interesting optical, chemical ...


Inter-Droplet Membranes For Mechanical Sensing Applications, Nima Tamaddoni Jahromi May 2016

Inter-Droplet Membranes For Mechanical Sensing Applications, Nima Tamaddoni Jahromi

Doctoral Dissertations

This dissertation combines self-assembly phenomena of amphiphilic molecules with soft materials to create and characterize mechanoelectrical transducers and sensors whose sensing elements are thin-film bioinspired membranes comprised of phospholipids or amphiphilic polymers. We show that the structures of these amphiphilic molecules tune the mechanical and electrical properties of these membranes. We show that these properties affect the mechanoelectrical sensing characteristic and range of operation of these membrane transducers. In the experiments, we construct and characterize a membrane-based hair cell embodiment that enables the membrane to be responsive to mechanical perturbations of the hair. The resulting oscillations of membranes formed between ...


Ion Irradiation-Induced Microstructural Change In Sic, Chien-Hung Chen Dec 2015

Ion Irradiation-Induced Microstructural Change In Sic, Chien-Hung Chen

Doctoral Dissertations

The high temperature radiation resistance of nuclear materials has become a key issue in developing future nuclear reactors. Because of its mechanical stability under high-energy neutron irradiation and high temperature, silicon carbide (SiC) has great potential as a structural material in advanced nuclear energy systems.

A newly developed nano-engineered (NE) 3C SiC with a nano-layered stacking fault (SFs) structure has been recently considered as a prospective choice due to enhanced point defect annihilation between layer-type structures, leading to outstanding radiation durability.

The objective of this project was to advance the understanding of gas bubble formation mechanisms under irradiation conditions in ...


Solution And Surface Properties Of Architecturally- And Compositionally-Complex Block Copolymers And Their Binary Mixtures, Jesse Lawrence Davis Dec 2015

Solution And Surface Properties Of Architecturally- And Compositionally-Complex Block Copolymers And Their Binary Mixtures, Jesse Lawrence Davis

Doctoral Dissertations

The spontaneous generation of complex structures from polymeric building blocks provides a simple yet effective route to create useful soft matter structures having potential application in a variety of nanotechnologies. The topology, chemical structure, block composition, and sequence of the constituent building blocks of polymers are tunable through synthetic chemistry. This tunability offers attractive opportunities to generate complex, yet well-defined structures with control over the geometry, packing symmetry, and microdomain structure. This thesis work involves the study of the self-assembly behaviors of architecturally complex amphiphilic block copolymers (ABCs). ABCs are composed of two or more chemically distinct blocks that are ...


Failure Simulations At Multiple Length Scales In High Temperature Structural Alloys, Chao Pu Dec 2015

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 ...


Incorporation Of High-K Hfo2 Thin Films In A-Igzo Thin Film Transistor Devices, Aaron Hamilton Bales Dec 2015

Incorporation Of High-K Hfo2 Thin Films In A-Igzo Thin Film Transistor Devices, Aaron Hamilton Bales

Masters Theses

In this study, HfO2 [hafnium oxide] thin films are investigated extensively as part of indium gallium zinc oxide (IGZO) thin film transistor (TFT) devices. They are incorporated into the TFTs, both as a gate insulator and a passivation layer. First, the HfO2 [hafnium oxide] films themselves are investigated through an annealing study and through I-V and C-V measurements. Then, HfO2 [hafnium oxide] is suggested as a replacement for commonly used SiO2 [silicon dioxide] gate insulator, as it has a dielectric constant that is 4 – 6 times higher. This higher dielectric constant allows for comparable TFT performance at a lower operation ...


Nanoscaled Cellulose And Its Carbonaceous Material: Application And Local Structure Investigation, Yujie Meng Aug 2015

Nanoscaled Cellulose And Its Carbonaceous Material: Application And Local Structure Investigation, Yujie Meng

Doctoral Dissertations

In this dissertation, cellulose nanocrystals three-dimensional morphology, size distribution, and the crystal structure were statistically and quantitatively investigated. Lognormal distribution was identified as the most likely for cellulose nanocrystals’ size distribution. Height and width dimensions were shown to decrease toward the ends from the midpoint of individual CNCs, implying a spindle-like shape. XRD analysis of crystallite size accompanied with TEM and AFM measurements revealed that the cross-sectional dimensions of individual switchgrass CNC were either rectangular or elliptical shape, with an approximately 3~5 nm [nanometer] lateral element length range. A sponge-like carbon aerogel from microfibril cellulose with high porosity, ultra-low ...


Quantum Tuning Of Plasmons In Ultrathin Metal Films, Ao Teng Aug 2014

Quantum Tuning Of Plasmons In Ultrathin Metal Films, Ao Teng

Doctoral Dissertations

The surface plasmon is a coherent charge density oscillation localized at a metal surface. It can couple with light and the resulting plasmon-polariton hybrid mode is confined to volumes that are much smaller than the classical diffraction limit of light. Nano-plasmonics is a rapidly evolving field where light manipulation at the nanoscale may lead to novel applications. However, as the size of plasmonic devices approaches the quantum-size regime, the macroscopic picture of plasmon may no longer be valid. To elucidate the influence of the discretization of the single particle spectrum on the collective plasmon response, we performed a systematic study ...


Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He Dec 2013

Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He

Doctoral Dissertations

Improving the durability and utilization efficiency of the platinum-on-carbon (Pt/C) catalyst is of vital importance to the commercialization of the polymer electrolyte membrane fuel cell (PEMFC). This body of work provides molecular level insights to aid the fulfillment of this goal. Chapter 1 describes the use of molecular dynamics (MD) simulation in an effort to understand the Pt/C degradation issue from the nano-adhesion point of view. The roles of catalyst nanoparticle size, shape, Pt/C surface oxidation and the extent of ionomer film hydration are investigated to study their effects on nano-particle adhesion. It is found that the ...


Adsorption And Diffusion Of Gases In Nano-Porous Materials, Nethika Sahani Suraweera Dec 2013

Adsorption And Diffusion Of Gases In Nano-Porous Materials, Nethika Sahani Suraweera

Doctoral Dissertations

In this work, a systematic computational study directed toward developing a molecular-level understanding of gas adsorption and diffusion characteristics in nano-porous materials is presented. Two different types of porous adsorbents were studied, one crystalline and the other amorphous. Physisorption and diffusion of hydrogen in ten iso-reticular metal-organic frameworks (IRMOFs) were investigated. A set of nine adsorbents taken from a class of novel, amorphous nano-porous materials composed of spherosilicate building blocks and isolated metal sites was also studied, with attention paid to the adsorptive and diffusive behavior of hydrogen, methane, carbon dioxide and their binary mixtures. Both classes of materials were ...


Plasmonics Resonance Enhanced Active Photothermal Effects In Aluminum Nanoenergetics For Propulsion Applications, Jacques Abboud Aug 2013

Plasmonics Resonance Enhanced Active Photothermal Effects In Aluminum Nanoenergetics For Propulsion Applications, Jacques Abboud

Doctoral Dissertations

In this dissertation, aluminum nanoparticles (Al NPs) are shown capable to on-demand enhance and control the local photothermal energy deposition, both spatially and temporally, via active photothermal effects initiated by the localized surface plasmon resonance (LSPR) phenomenon, and amplified by the Al exothermal oxidation reactions. Experiments in dry and wet environments along with computational modeling of the photothermal process are very desirable for gaining fundamental understanding, ignition optimization and parameter exploration.

Combined phenomena of motion and ignition of Al NPs are explored first in this study. Both resulting from exposing a pile of the nanoenergetics in hand to a single ...


Novel Bimetallic Plasmonic Nanomaterials, Ritesh Sachan May 2013

Novel Bimetallic Plasmonic Nanomaterials, Ritesh Sachan

Doctoral Dissertations

Plasmonic nanomaterials have attracted a lot of attention recently due to their application in various fields such as chemical and biological sensing, catalysis, energy harvesting and optical devices. However, there is a need to address several outstanding issues with these materials, including cost-effective synthesis, tunability in plasmonic characteristics, and long term stability. In this thesis, we have focused on bimetallic nanoparticles (NPs) of Ag and Co due to their immiscibility as well as their individual properties. First, a pulsed laser induced dewetting route was used to synthesize Ag-Co bimetallic plasmonic NPs. An synthesis parameter space was derived to show the ...


Femtosecond Laser Patterned Templates And Imprinted Polymer Structures, Deepak Rajput May 2013

Femtosecond Laser Patterned Templates And Imprinted Polymer Structures, Deepak Rajput

Doctoral Dissertations

Femtosecond laser machining is a direct-write lithography technique by which user-defined patterns are efficiently and rapidly generated at the surface or within the bulk of transparent materials. When femtosecond laser machining is performed with tightly focused amplified pulses in single-pulse mode, transparent substrates like fused silica can be surface patterned with high aspect ratio (>10:1) and deep (>10 μm) nanoholes. The main objective behind this dissertation is to develop single-pulse amplified femtosecond laser machining into a novel technique for the production of fused silica templates with user-defined patterns made of high aspect ratio nanoholes. The size of the nanoholes ...


Towards Sustainable Development Of Nanomanufacturing, Sasikumar Ramdas Naidu May 2012

Towards Sustainable Development Of Nanomanufacturing, Sasikumar Ramdas Naidu

Doctoral Dissertations

"Sustainability" is a buzz word these days not just among regulatory agencies but even with corporations, as evident by the release of annual sustainability report by a large number of firms. Companies are starting to portray profit making along with corporate environmental responsibility.

Nanotechnology and nanomanufacturing which holds a lot of promise for development in a multitude of fields in science and engineering is the new kid on the block and carries a lot of apprehension due to public concern about their potential unwanted side effects that may result in the case of an untoward incident or lack of oversight ...


Atomistic Modeling Of Hydrogen Storage In Nanostructured Carbons, Lujian Peng May 2011

Atomistic Modeling Of Hydrogen Storage In Nanostructured Carbons, Lujian Peng

Doctoral Dissertations

Nanoporous carbons are among the widely studied and promising materials on hydrogen storage for on-board vehicles. However, the nature of nanoporous carbon structures, as well as the relationship between local structure and hydrogen adsorption are still unclear, and hinder the design of carbon materials for optimum hydrogen storage. This dissertation presents a systematic modeling effort of hydrogen storage in nanoporous carbon materials. Tight binding molecular dynamics simulations are utilized to simulate the amorphous carbons over a wide range of density. The resulting structures are in good agreement with experimental data of ultra-microporous carbon (UMC), a wood-based activated carbon, as indicated ...


Energetics And Kinetics Of Dislocation Initiation In The Stressed Volume At Small Scales, Tianlei Li Dec 2010

Energetics And Kinetics Of Dislocation Initiation In The Stressed Volume At Small Scales, Tianlei Li

Doctoral Dissertations

Instrumented nanoindentation techniques have been widely used in characterizing mechanical behavior of materials in small length scales. For defect-free single crystals under nanoindentation, the onset of elastic-plastic transition is often shown by a sudden displacement burst in the measured load-displacement curve. It is believed to result from the homogeneous dislocation nucleation because the maximum shear stress at the pop-in load approaches the theoretical strength of the material and because statistical measurements agree with a thermally activated process of homogeneous dislocation nucleation. For single crystals with defects, the pop-in is believed to result from the sudden motion of pre-existing dislocations or ...


Methods For Characterizing Mechanical Properties Of Wood Cell Walls Via Nanoindentation, Yujie Meng Aug 2010

Methods For Characterizing Mechanical Properties Of Wood Cell Walls Via Nanoindentation, Yujie Meng

Masters Theses

Nanoindentation is a method of contacting a material whose mechanical properties are unknown with another material whose properties are known. Nanoindentation has the advantage of being able to probe a material’s microstructure while being sensitive enough to detect variations in mechanical properties. However, nanoindentation has some limitations as a testing technique due to the specific formation and structure of some biomaterials. The main objective of this research is to identify any factors that influence the nanoindentation measurement of wood cell walls (a typical biomaterial).

The function of the embedding media in describing the properties of wood cells is poorly ...


Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong May 2010

Molecular Simulations Of Adsorption And Diffusion In Metal-Organic Frameworks (Mofs), Ruichang Xiong

Doctoral Dissertations

Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have received great interest since they were first synthesized in the late 1990s. Practical applications of MOFs are continuously being discovered as a better understanding of the properties of materials adsorbed within the nanopores of MOFs emerges. One such potential application is as a component of an explosive-sensing system. Another potential application is for hydrogen storage.

This work is focused on tailoring MOFs to adsorb/desorb the explosive, RDX. Classical grand canonical Monte Carlo (GCMC) and molecular dynamic (MD) simulations have been performed to calculate adsorption isotherms and self-diffusivities ...