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Selective Solubilisation Of Single Walled Carbon Nanotubes Using Polycyclic Aromatic Hydrocarbons, Sourabhi Debnath 2010 Technological University Dublin

Selective Solubilisation Of Single Walled Carbon Nanotubes Using Polycyclic Aromatic Hydrocarbons, Sourabhi Debnath

Doctoral

Single-walled carbon nanotubes (SWCNTS) are proposed to be one of the most promising nanomaterials, with unique electronic and mechanical properties which lend themselves to a variety of applications. In all cases the quality of the SWCNT material is important, and for some applications it is paramount. Despite sustained efforts, all currently known SWCNT synthetic techniques generate significant quantities of impurities. They also grow in bundles or ropes and are largely insoluble in common organic solvents. SWCNTS can have a range of structures and their electronic properties (metallic or semiconducting) depend on their structure and as well on their diameters. Currently ...


Microstructure And Property Evaluation Of Lifepo4 Thin Films For Application In Microbatteries, Jose Marcos Mares 2010 University of Texas at El Paso

Microstructure And Property Evaluation Of Lifepo4 Thin Films For Application In Microbatteries, Jose Marcos Mares

Open Access Theses & Dissertations

The shortage of fossil fuels and the requirements to produce clean, environmental friendly, efficient, and economical energy are the principal problems in the context of energy technology for current and future generations. Therefore, advanced energy storage and conversion capabilities with higher capacity and efficiency are desired. Currently, there is an enormous interest in the development of high energy density rechargeable batteries for use in domestic applications, automotive industries and portable electronic applications. The present research focuses on the development of LiFePO4 thin films for solid-state thin-film microbatteries. The present effort was performed with a specific purpose of understanding the effect ...


An Alternative Method To Determining Optical Lever Sensitivity In Atomic Force Microscopy Without Tip-Sample Contact, Christopher J. Tourek, Sriram Sundararajan 2010 Iowa State University

An Alternative Method To Determining Optical Lever Sensitivity In Atomic Force Microscopy Without Tip-Sample Contact, Christopher J. Tourek, Sriram Sundararajan

Mechanical Engineering Publications

Force studies using atomic force microscopy generally require knowledge of the cantilever spring constants and the optical lever sensitivity. The traditional method of evaluating the optical lever sensitivity by pressing the tip against a hard surface can damage the tip, especially sharp ones. Here a method is shown to calculate the sensitivity without having to bring the tip into contact. Instead a sharpened tungsten wire is used to cause a point contact directly onto the cantilever and cause cantilever bending. Using beam theory, the sensitivity thus found can be converted to the equivalent sensitivity that would be obtained using the ...


Silver-Polyimide Nanocomposite Films: Single-Stage Synthesis And Analysis Of Metalized Partially-Fluorinated Polyimide Btda/4-Bdaf Prepared From Silver(I) Complexes, Joshua Erold Robert Abelard 2010 College of William & Mary - Arts & Sciences

Silver-Polyimide Nanocomposite Films: Single-Stage Synthesis And Analysis Of Metalized Partially-Fluorinated Polyimide Btda/4-Bdaf Prepared From Silver(I) Complexes, Joshua Erold Robert Abelard

Dissertations, Theses, and Masters Projects

No abstract provided.


Giant Raman Enhancement On Nanoporous Gold Film By Conjugating With Nanoparticles For Single-Molecule Detection, Lihua Qian, Biswajit Das, Yan Li, Zhilin Yang 2010 University of Nevada, Las Vegas

Giant Raman Enhancement On Nanoporous Gold Film By Conjugating With Nanoparticles For Single-Molecule Detection, Lihua Qian, Biswajit Das, Yan Li, Zhilin Yang

Electrical and Computer Engineering Faculty Publications

Hot spots have the contradictively geometrical requirements for both the narrowest interstices to provide strong near-field coupling, and sufficient space to allow entrance of the analytes. Herein, a two-step method is employed to create hot spots within hybrid nanostructures, which consist of self-supported nanoporous gold films with the absorbed probes and subsequent nanoparticle conjugates without surface agents or mechanical motion. The molecules confined into 1 nm interstice exhibit 2.9 × 107 times enhancement in Raman scattering compared to pure nanoporous gold. Giant enhancement primarily results from strong near-field coupling between nanopore and nanoparticle, which is theoretically confirmed by finite-difference ...


On The Effect Of Hydrodynamic Slip On The Polarization Of A Nonconducting Spherical Particle In An Alternating Electric Field, Hui Zhao 2010 University of Nevada, Las Vegas

On The Effect Of Hydrodynamic Slip On The Polarization Of A Nonconducting Spherical Particle In An Alternating Electric Field, Hui Zhao

Mechanical Engineering Faculty Publications

The polarization of a charged, dielectric, spherical particle with a hydrodynamically slipping surface under the influence of a uniform alternating electric field is studied by solving the standard model (the Poisson–Nernst–Planck equations). The dipole moment characterizing the strength of the polarization is computed as a function of the double layer thickness, the electric field frequency, the particle’s surface charge, and the slip length. Our studies reveal that two processes contribute to the dipole moment: ion transport inside the double layer driven by the electric field and the particle’s electrophoretic motion. The hydrodynamic slip will simultaneously impact ...


Sorption Of Bovine Serum Albumin On Nano And Bulk Oxide Particles, Lei Song 2010 University of Massachusetts Amherst

Sorption Of Bovine Serum Albumin On Nano And Bulk Oxide Particles, Lei Song

Masters Theses 1911 - February 2014

Manufactured oxide nanoparticles (NPs) have large production and widespread applications, which will inevitably enter the environment. NPs can interact with proteins in living beings due to the fact that NPs can transport into blood or across cell membranes into cells. Conformational change of protein molecules after sorption on oxide NPs has been reported. Therefore, it is important to understand the adsorption mechanism of protein onto oxide NPs surfaces. Although few works have reported protein adsorption behaviors, a general systematic comparison of the effects of particle size and surface groups on protein adsorption by widely studied NPs still needs to be ...


Molecular Dynamics Simulation Of Poly(Ethylene Terephthalate) Oligomers, David Keffer, Qifei Wang, Simioan Petrovan, J. Thomas 2009 University of Tennessee - Knoxville

Molecular Dynamics Simulation Of Poly(Ethylene Terephthalate) Oligomers, David Keffer, Qifei Wang, Simioan Petrovan, J. Thomas

David Keffer

Molecular dynamics simulations of poly(ethylene terephthalate) (PET) oligomers are performed in the isobaric−isothermal (NpT) ensemble at a state point typical of a finishing reactor. The oligomer size ranges from 1 to 10 repeat units. We report thermodynamic properties (density, potential energy, enthalpy, heat capacity, isothermal compressibility, and thermal expansivity), transport properties (self-diffusivity, zero-shear-rate viscosity, thermal conductivity), and structural properties (pair correlation functions, hydrogen bonding network, chain radius of gyration, chain end-to-end distance) as a function of oligomer size. We compare the results with existing molecular-level theories and experimental data. Scaling exponents as a function of degree of polymerization ...


Molecular Simulations Of H2 Adsorption In Metal-Porphyrin Frameworks (Mpfs): A Potential New Material Evaluation, Ruichang Xiong, David Keffer 2009 University of Tennessee - Knoxville

Molecular Simulations Of H2 Adsorption In Metal-Porphyrin Frameworks (Mpfs): A Potential New Material Evaluation, Ruichang Xiong, David Keffer

David Keffer

Path integral grand canonical Monte Carlo (PI-GCMC) simulations using standard force fields are carried out to calculate the adsorption of H2 in five metal-porphyrin frameworks (MPFs), a new class of metal organic framework (MOF)-type materials. These simulations are performed at 77 K and room temperature (300 K). The adsorption isotherms of H2 in IRMOF-1 and IRMOF-10 are also calculated as a comparison. All calculations indicate that all MPFs adsorbed a higher weight fraction of H2 than both IRMOF-1 and IRMOF-10, with one exception (MPF-2). The gravimetric hydrogen capacities are still well short of practical goals. The MPFs provide additional ...


Molecular Simulation Images, David Keffer 2009 University of Tennessee - Knoxville

Molecular Simulation Images, David Keffer

David Keffer

These animations and interactive structures are created from various molecular dynamics simulations and quantum calculations. In order to view the interactive structures, you need the free "Chime" Plug-in. In order to view the movie files (in avi format), you will require the following codec: TSCC codec. This work has been supported by DOE BES, AFOSR, NSF and ACS PRF.


Effective Potentials Between Nanoparticles In Suspension, Gary Grest, Qifei Wang, Pieter in't Veld, David Keffer 2009 University of Tennessee - Knoxville

Effective Potentials Between Nanoparticles In Suspension, Gary Grest, Qifei Wang, Pieter In't Veld, David Keffer

David Keffer

Results of molecular dynamics simulations are presented for the pair distribution function between nanoparticles in an explicit solvent as a function of nanoparticle diameter and interaction strength between the nanoparticle and solvent. The effect of including the solvent explicitly is demonstrated by comparing the pair distribution function of nanoparticles to that in an implicit solvent. The nanoparticles are modeled as a uniform distribution of Lennard-Jones particles, while the solvent is represented by standard Lennard-Jones particles. The diameter of the nanoparticle is varied from 10 to 25 times that of the solvent for a range of nanoparticle volume fractions. As the ...


Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. Kim, B. Edwards, B. Khomami 2009 University of Tennessee - Knoxville

Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. Kim, B. Edwards, B. Khomami

David Keffer

Nonequilibrium molecular dynamics (NEMD) simulations of a dense liquid composed of linear polyethylene chains were performed to investigate the chain dynamics under shear. Brownian dynamics (BD) simulations of a freely jointed chain with equivalent contour length were also performed in the case of a dilute solution. This allowed for a close comparison of the chain dynamics of similar molecules for two very different types of liquids. Both simulations exhibited a distribution of the end-to-end vector, |Rete|, with Gaussian behavior at low Weissenberg number (Wi). At high Wi, the NEMD distribution was bimodal, with two peaks associated with rotation and ...


Super-High-Frequency Two-Port Aln Contour-Mode Resonators For Rf Applications, Matteo Rinaldi, Chiara Zuniga, Chengjie Zuo, Gianluca Piazza 2009 University of Pennsylvania

Super-High-Frequency Two-Port Aln Contour-Mode Resonators For Rf Applications, Matteo Rinaldi, Chiara Zuniga, Chengjie Zuo, Gianluca Piazza

Matteo Rinaldi

This paper reports on the design and experimental verification of a new class of thin-film (250 nm) super-high-frequency laterally-vibrating piezoelectric microelectromechanical (MEMS) resonators suitable for the fabrication of narrow-band MEMS filters operating at frequencies above 3 GHz. The device dimensions have been opportunely scaled both in the lateral and vertical dimensions to excite a contour-extensional mode of vibration in nanofeatures of an ultra-thin (250 nm) AlN film. In this first demonstration, 2-port resonators vibrating up to 4.5 GHz have been fabricated on the same die and attained electromechanical coupling, kt2, in excess of 1.5%. These devices are employed ...


2009 Report Of Crerg Research Activities, João F. Gomes 2009 Instituto Superior Engenharia Lisboa

2009 Report Of Crerg Research Activities, João F. Gomes

João F Gomes

No abstract provided.


Toxicological Assessment Of Coated Versus Uncoated Rubber Granulates Obtained From Used Tires For Use In Sport Facilities, João F. Gomes 2009 Instituto Superior Engenharia Lisboa

Toxicological Assessment Of Coated Versus Uncoated Rubber Granulates Obtained From Used Tires For Use In Sport Facilities, João F. Gomes

João F Gomes

Reuse of tire crumb in sport facilities is currently a very cost-effective waste management measure. Considering that incorporation of the waste materials in artificial turf would be facilitated if the rubber materials were already colored green, coatings were specifically developed for this purpose. This paper presents an experimental toxicological and environmental assessment aimed at comparing the obtained emissions to the environment in terms of polycyclic aromatic hydrocarbons (PAHs), heavy metals, and ecotoxicity for coated and noncoated rubber granulates. This study is a comprehensive evaluation of the major potential critical factors related with the release of all of these classes of ...


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