Silver-Polyimide Nanocomposite Films: Single-Stage Synthesis And Analysis Of Metalized Partially-Fluorinated Polyimide Btda/4-Bdaf Prepared From Silver(I) Complexes, 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.
Luminescence Enhancement Of Cdte Nanostructures In Laf3:Ce/Cdte Nanocomposites, 2010 University of Texas at Arlington
Luminescence Enhancement Of Cdte Nanostructures In Laf3:Ce/Cdte Nanocomposites, Mingzhen Yao, Xing Zhang, Lun Ma, Wei Chen, Alan G. Joly, Jinsong Huang, Qingwu Wang
Mechanical & Materials Engineering Faculty Publications
Radiation detection demands new scintillators with high quantum efficiency, high energy resolution, and short luminescence lifetimes. Nanocomposites consisting of quantum dots and Ce3+ doped nanophosphors may be able to meet these requirements. Here, we report the luminescence enhancement of LaF3:Ce/CdTe nanocomposites which were synthesized by a wet chemistry method. CdTe quantum dots in LaF3:Ce/CdTe nanocomposites are converted into nanowires, while in LaF3 /CdTe nanocomposites no such conversion is observed. As a result, the CdTe luminescence in LaF3:Ce/CdTe nanocomposites is enhanced about five times, while in LaF3 /CdTe nanocomposites ...
On The Effect Of Hydrodynamic Slip On The Polarization Of A Nonconducting Spherical Particle In An Alternating Electric Field, 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 ...
Three Dimensional Collagen Gels As A Cell Culture Matrix For The Study Of Live Cells By Raman Spectroscopy, 2010 Technological University Dublin
Three Dimensional Collagen Gels As A Cell Culture Matrix For The Study Of Live Cells By Raman Spectroscopy, Franck Bonnier, Aidan Meade, S. Merzha, Peter Knief, Kunal Bhattacharya, Fiona Lyng, Hugh Byrne
Three dimensional collagen gels are evaluated as matrices for the study of live cells by Raman spectroscopy. The study is conducted on a human lung adenocarcinoma (A549) and a spontaneously immortalized human epithelial keratinocyte (HaCaT) cell line. It is demonstrated, using the Alamar Blue assay, that both cell models exhibit enhanced viability in collagen matrices compared to quartz substrates, commonly used for Raman spectroscopy. Using principal component analysis, it is shown that the Raman spectral analysis of cells in collagen matrices are minimally contaminated by substrate contributions and the cell to cell spectral variations are greatly reduced compared to those ...
An Investigation Of The Rwpe Prostate Derived Family Of Cell Lines Using Ftir Spectroscopy, 2010 University of Manchester
An Investigation Of The Rwpe Prostate Derived Family Of Cell Lines Using Ftir Spectroscopy, M. Baker, Colin Clarke, D. Demoulin, J. Nicolson, Fiona Lyng, Hugh Byrne, C. Hart, M. Brown, N. Clarke, P. Gardner
Interest in developing robust, quicker and easier diagnostic tests for cancer has lead to an increased use of Fourier transform infrared (FTIR) spectroscopy to meet that need. In this study we present the use of different experimental modes of infrared spectroscopy to investigate the RWPE human prostate epithelial cell line family which are derived from the same source but differ in their mode of transformation and their mode of invasive phenotype. Importantly, analysis of the infrared spectra obtained using different experimental modes of infrared spectroscopy produce similar results. The RWPE family of cell lines can be separated into groups based ...
Resonant Mie Scattering (Rmies) Correction Of Infrared Spectra From Highly Scattering Biological Samples Analyst, 2010 University of Manchester
Resonant Mie Scattering (Rmies) Correction Of Infrared Spectra From Highly Scattering Biological Samples Analyst, Paul Bassan, Achim Kohler, Harald Martens, Joe Lee, Hugh Byrne, Paul Dumas, Ehsan Gazi, Michael Brown, Noel Clarke, Peter Gardner
Infrared spectra of single biological cells often exhibit the “dispersion artefact” observed as a sharp decrease in intensity on the high wavenumber side of absorption bands, in particular the Amide I band at ~1655 cm-1, causing a downward shift of the true peak position. The presence of this effect makes any biochemical interpretation of the spectra unreliable. Recent theory has shed light on the origins of the ‘dispersion artefact’ which has been attributed to resonant Mie scattering (RMieS). In this paper a preliminary algorithm for correcting RMieS is presented and evaluated using simulated data. Results show that the ‘dispersion artefact ...
A Comparative Study Of The Interaction Of Different Polycyclic Aromatic Hydrocarbons On Different Types Of Single Walled Carbon Nanotubes, 2010 Technological University Dublin
A Comparative Study Of The Interaction Of Different Polycyclic Aromatic Hydrocarbons On Different Types Of Single Walled Carbon Nanotubes, Sourabhi Debnath, Qiaohun Cheng, Theresa Hedderman, Hugh Byrne
A comparative study of the solubilising effect of polycyclic aromatic hydrocarbon (PAHs) on single walled carbon nanotubes (SWCNTs) produced by high pressure decomposition of carbon monoxide (HiPco) and the arc discharge (AD) method has been carried out with the aid of fluorescence and Raman spectroscopy. For this study, polyphenyl and polyacene PAHs of different lengths are used. From the study it has been found that the binding energy of PAHs with AD SWCNTs is the same as that with HiPco SWCNTs. Shorter PAHs molecules better solubilise SWCNTs and in general smaller diameter SWCNTs. Thus, given their smaller diameter profile, significantly ...
Ultrasound-Assisted Swnts Dispersion: Effects Of Sonication Parameters And Solvent Properties, 2010 Technological University Dublin
Ultrasound-Assisted Swnts Dispersion: Effects Of Sonication Parameters And Solvent Properties, Qiaohuan Cheng, Sourabhi Debnath, Elizabeth Gregan, Hugh Byrne
Ultrasonication is widely used for preparing Single-Walled Carbon Nanotube (SWNT) dispersions in different solvent media and it has been shown to play a critical role in dispersing and debundling SWNTs. The strong shear force that can exfoliate the SWNT bundles during sonication comes from cavitation, which entails a process of bubble formation, growth, and collapse. The efficiency of the cavitation process is closely correlated to many solvent parameters, including vapor pressure, viscosity, and surface tension, as well as the sonication frequency, intensity, and time. In this study, SWNTs were dispersed in a range of organic solvents assisted by tip sonication ...
Giant Raman Enhancement On Nanoporous Gold Film By Conjugating With Nanoparticles For Single-Molecule Detection, 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 ...
Selective Solubilisation Of Single Walled Carbon Nanotubes Using Polycyclic Aromatic Hydrocarbons, 2010 Technological University Dublin
Selective Solubilisation Of Single Walled Carbon Nanotubes Using Polycyclic Aromatic Hydrocarbons, Sourabhi Debnath
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 ...
Molecular Dynamics Simulation Of Poly(Ethylene Terephthalate) Oligomers, 2009 University of Tennessee - Knoxville
Molecular Dynamics Simulation Of Poly(Ethylene Terephthalate) Oligomers, David Keffer, Qifei Wang, Simioan Petrovan, J. Thomas
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, 2009 University of Tennessee - Knoxville
Molecular Simulations Of H2 Adsorption In Metal-Porphyrin Frameworks (Mpfs): A Potential New Material Evaluation, Ruichang Xiong, 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, 2009 University of Tennessee - Knoxville
Molecular Simulation Images, 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, 2009 University of Tennessee - Knoxville
Effective Potentials Between Nanoparticles In Suspension, Gary Grest, Qifei Wang, Pieter In't Veld, 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, 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
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 ...
A Tangent-Plane, Marker-Particle Method For The Computation Of Three-Dimensional Solid Surfaces Evolving By Surface Diffusion On A Substrate, Ping Du, Mikhail Khenner, Harris Wong
We introduce a marker-particle method for the computation of three-dimensional solid surface morphologies evolving by surface diffusion. The method does not use gridding of surfaces or numerical differentiation, and applies to surfaces with finite slopes and overhangs. We demonstrate the method by computing the evolution of perturbed cylindrical wires on a substrate. We show that computed growth rates at early times agree with those predicted by the linear stability analysis. Furthermore, when the marker particles are redistributed periodically to maintain even spacing, the method can follow breakup of the wire.
Oscillatory And Monotonic Modes Of Long-Wave Marangoni Convection In A Thin Film, 2009 Western Kentucky University
Oscillatory And Monotonic Modes Of Long-Wave Marangoni Convection In A Thin Film, Sergey Shklyaev, Mikhail Khenner, Alexei Alabuzhev
We study long-wave Marangoni convection in a layer heated from below. Using the scaling k=O#1;#3;Bi#2;, where k is the wave number and Bi is the Biot number, we derive a set of amplitude equations. Analysis of this set shows presence of monotonic and oscillatory modes of instability. Oscillatory mode has not been previously found for such direction of heating. Studies of weakly nonlinear dynamics demonstrate that stable steady and oscillatory patterns can be found near the stability threshold.
Thickness-Dependent Spontaneous Dewetting Morphology Of Ultrathin Ag Films, 2009 Washington University in St Louis
Thickness-Dependent Spontaneous Dewetting Morphology Of Ultrathin Ag Films, H Krishna, R Sachan, J Strader, C Favazza, Mikhail Khenner, Ramki Kalyanaraman
We show here that the morphological pathway of spontaneous dewetting of ultrathin Ag films on SiO2 under nanosecond laser melting is found to be film thickness dependent. For films with thickness h between 2<=h<=9.5 nm, the intermediate stages of the morphology consisted of bicontinuous structures. For films 11.5<=h<=20 nm, the intermediate stages consisted of regularly-sized holes. Measurement of the characteristic length scales for different stages of dewetting as a function of film thickness showed a systematic increase, which is consistent with the spinodal dewetting instability over the entire thickness range investigated. This change in morphology with thickness is consistent with observations made previously for polymer films [A. Shama et al, Phys. Rev. Lett., v81, pp3463 (1998); R. Seemann et al, J. Phys. Cond. Matt., v13, pp4925, (2001)]. Based on the behavior of free energy curvature that incorporates intermolecular forces, we have estimated the morphological transition thickness for Ag on SiO2. The theory predictions agree well with observations for Ag. These results show that it is possible to form a variety of complex Ag nanomorphologies in a consistent manner, which could be useful in optical applications of Ag surfaces, such as in surface enhanced Raman sensing.
Super-High-Frequency Two-Port Aln Contour-Mode Resonators For Rf Applications, 2009 University of Pennsylvania
Super-High-Frequency Two-Port Aln Contour-Mode Resonators For Rf Applications, Matteo Rinaldi, Chiara Zuniga, Chengjie Zuo, Gianluca Piazza
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, 2009 Instituto Superior Engenharia Lisboa
2009 Report Of Crerg Research Activities, João F. Gomes
João F Gomes
No abstract provided.