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Interspecimen Study of Bone to Relate Macromechanical, Nanomechanical and Compositional Changes Across the Femoral Cortex of Bone

Description: Mechanics of bone is widely studied and researched, mainly for the study of fracture. This has been done mostly on a macro scale. In this work hierarchical nature of bone has been explored to investigate bone mechanics in more detail. Flexural test were done to classify the bones according to their strength and deflection. Raman spectroscopy analysis was done to map the mineralization, collagen crosslinking changes across the thickness of the bone. Nanoindentation was done to map indentation hardness and indentation modulus across femoral cortex of the bone. The results indicate that the composition of the bone changes across the thickness of the femoral cortex. The hypothesis is confirmed as increase in mineralization, carbonate to phosphate ratio and collagen crosslinking shows the effect as increased indentation hardness and modulus and decreased deflection.
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Date: May 2013
Creator: Nar, Mangesh
Partner: UNT Libraries

Raman studies of reorientational dynamics in liquids

Description: Raman and/or infrared (IR) bandshape analysis to probe molecular dynamics in liquids has become a rapidly expanding field of study in recent years. Determination of spinning and tumbling diffusion constants, Dι and D⊥, which characterize the reorientation of symmetric-top moleclues has been successfully studied in a number of D6H and D3H molecules. For molecules of CV3 symmetry, however, previous attempts to extract spinning diffusion constants from Raman doubly degenerate vibrations (E mode) have proved unsuccessful. Presented here is a new methodology which resolves the problems encountered by former researchers through calculation of Dι utilizing the narrower Lorentzian component of E vibrations.
Date: December 1990
Creator: Wang, Shao-Pin
Partner: UNT Libraries

Micro-Analysis of Actinide Minerals for Nuclear Forensics and Treaty Verification

Description: Micro-Raman spectroscopy has been demonstrated to be a viable tool for nondestructive determination of the crystal phase of relevant minerals. Collecting spectra on particles down to 5 microns in size was completed. Some minerals studied were weak scatterers and were better studied with the other techniques. A decent graphical software package should easily be able to compare collected spectra to a spectral library as well as subtract out matrix vibration peaks. Due to the success and unequivocal determination of the most common mineral false positive (zircon), it is clear that Raman has a future for complementary, rapid determination of unknown particulate samples containing actinides.
Date: March 22, 2012
Creator: M. Morey, M. Manard, R. Russo, G. Havrilla
Partner: UNT Libraries Government Documents Department

Raman Studies of Conformational Energies and Hydrogen Bonding in Alcohols

Description: The conformational energy differences have been determined for ethylene glycol, 2- chloroethanol, and 2,2- dichloroethanol in the neat liquid, DMSO, and H20 with Raman spectroscopy. Spectra in the 0-H valence region were utilized to determine the energy difference between interand intramolecularly hydrogen bonded species. It was found that the solvent effect on the relative stabilities of the gauche and trans rotamers of the alcohols differ significantly. The results also indicate that, unlike ethylene glycol, there is significant intramolecular hydrogen bond formation in the halogenated alcohols in the neat liquid phase. Stronger intramolecular hydrogen bond formation was observed in dichloroethanol than in 2-chloroethanol.
Date: August 1982
Creator: Maleknia, Simindokht
Partner: UNT Libraries

Development and integration of Raman imaging capabilities to Sandia National Laboratories hyperspectral fluorescence imaging instrument.

Description: Raman spectroscopic imaging is a powerful technique for visualizing chemical differences within a variety of samples based on the interaction of a substance's molecular vibrations with laser light. While Raman imaging can provide a unique view of samples such as residual stress within silicon devices, chemical degradation, material aging, and sample heterogeneity, the Raman scattering process is often weak and thus requires very sensitive collection optics and detectors. Many commercial instruments (including ones owned here at Sandia National Laboratories) generate Raman images by raster scanning a point focused laser beam across a sample--a process which can expose a sample to extreme levels of laser light and requires lengthy acquisition times. Our previous research efforts have led to the development of a state-of-the-art two-dimensional hyperspectral imager for fluorescence imaging applications such as microarray scanning. This report details the design, integration, and characterization of a line-scan Raman imaging module added to this efficient hyperspectral fluorescence microscope. The original hyperspectral fluorescence instrument serves as the framework for excitation and sample manipulation for the Raman imaging system, while a more appropriate axial transmissive Raman imaging spectrometer and detector are utilized for collection of the Raman scatter. The result is a unique and flexible dual-modality fluorescence and Raman imaging system capable of high-speed imaging at high spatial and spectral resolutions. Care was taken throughout the design and integration process not to hinder any of the fluorescence imaging capabilities. For example, an operator can switch between the fluorescence and Raman modalities without need for extensive optical realignment. The instrument performance has been characterized and sample data is presented.
Date: November 1, 2005
Creator: Timlin, Jerilyn Ann & Nieman, Linda T.
Partner: UNT Libraries Government Documents Department

Chemical Profiling of the Plant Cell Wall through Raman Microspectroscopy

Description: This paper presents a computational framework for chemical pro.ling of the plant cell wall through the Raman spectroscopy. The system enables query of known spectral signatures and clustering of spectral data based on intrinsic properties. As a result, presence and relative concentration of speci.c chemical bonds can be quanti.ed. The primary contribution of this paper is in representation of raman pro.le in terms of .uorescence background and multiscale peak detection at each grid point (voxel). Such a representation allows ef.cient spatial segmentation based on the coupling between high-level salient properties and low-level symbolic representation at each voxel. The high-level salient properties refer to preferred peaks and their attributes for the entire image. The low-level symbolic representations are based on .uorescence background, spectral peak locations, and their attributes. We present results on a corn stover tissue section that is imaged through Raman microscopy, and the results are consistent with the literature. In addition, automatic clustering indicates several distinct layers of the cell walls with different spectral signatures.
Date: March 2, 2010
Creator: Han, Ju; Singh, Seema; Sun, Lan; Simmons, Blake; Auer, Manfred & Parvin, Bahram
Partner: UNT Libraries Government Documents Department

On the Increasing Fragility of Human Teeth with Age: ADeep-Ultraviolet Resonance Raman Study

Description: Ultraviolet resonance Raman spectroscopy (UVRRS) using 244nm excitation was used to investigate the impact of aging on humandentin. The intensity of a spectroscopic feature from the peptide bondsin the collagen increases with tissue age, similar to a finding reportedpreviously for human cortical bone.
Date: July 14, 2006
Creator: Ager III, J.W.; Nalla, R.K.; Balooch, G.; Kim, G.; Pugach, M.; Habelitz, S. et al.
Partner: UNT Libraries Government Documents Department

Centimeter Scale Patterned Growth of Vertically Stacked Few Layer Only 2D MoS₂/WS₂ van der Waals Heterostructure

Description: This article reports the chemical vapor deposition (CVD) growth of large-area (>2 cm²) patterned 2D vdW heterostructures composed of few layer, vertically-stacked molybdenum disulfide and tungsten disulfide.
Date: May 5, 2016
Creator: Choudhary, Nitin; Park, Juhong; Hwang, Jun Yeon; Chung, Hee-Suk; Dumas, Kenneth H.; Khondaker, Saiful I. et al.
Partner: UNT College of Engineering

Vibrational Spectra and Potential Function of Tetrachlorocyclopropene

Description: The laser Raman spectra of tetrachlorocyclopropene in the liquid and solid phases have been recorded and vibrational assignments are presented. These results along with root mean squared vibrational amplitudes from electron diffraction data have been employed in a normal coordinate analysis in which a 19 parameter potential function is refined. This potential function, originally expressed in terms of compliance constants, is then used to derive the corresponding conventional and relaxed force constants.
Date: August 1981
Creator: Adame, I. Ernesto (Ignacio Ernesto)
Partner: UNT Libraries

Raman spectroscopic and mass spectrometric investigations of the hydrogen isotopes and isotopically labelled methane

Description: Suitable analytical methods must be tested and developed for monitoring the individual process steps within the fuel cycle of a fusion reactor and for tritium accountability. The utility of laser-Raman spectroscopy accompanied by mass spectrometry with an Omegatron was investigated using the analysis of all hydrogen isotopes and isotopically labeled methanes as an example. The Omegatron is useful for analyzing all hydrogen isotopes mixed with the stable helium isotopes. The application of this mass spectrometer were demonstrated by analyzing mixtures of deuterated methanes. In addition, it was employed to study the radiochemical Witzbach exchange reaction between tritium and methanes. A laser-Raman spectrometer was designed for analysis of tritium-containing gases and was built from individual components. A tritium-compatible, metal-sealed Raman cuvette having windows with good optical properties and additional means for measuring the stray light was first used successfully in this work. The Raman spectra of the hydrogen isotopes were acquired in the pure rotation mode and in the rotation-vibration mode and were used for on. The deuterated methanes were measured by Raman spectroscopy, the wavenumbers determined were assigned to the corresponding vibrations, and the wavenumbers for the rotational fine-structure were summarized in tables. The fundamental Vibrations of the deuterated methanes produced Witzbach reactions were detected and assigned. The fundamental vibrations of the molecules were obtained with Raman spectroscopy for the first time in this work. The @-Raman spectrometer assembled is well suited for the analysis of tritium- containing gases and is practical in combination with mass spectrometry using an Omegatron, for studying gases used in fusion.
Date: February 24, 1997
Creator: Jewett, J.R., Fluor Daniel Hanford
Partner: UNT Libraries Government Documents Department


Description: Micro Raman spectroscopy and classic composite shear-lag models were used to analyze the evolution with time of fiber and matrix strain/stress around fiber breaks in planar model graphite fiber-epoxy matrix composites. Impressive agreements were found between the model predictions and the experimental results. The local matrix creep leads to an increase in the load transfer length around the break under a constant load. This increases the chance of fiber breakage in the neighboring intact fibers.
Date: February 1, 2001
Creator: ZHOU, C. & AL, ET
Partner: UNT Libraries Government Documents Department

Investigation of Structure and Properties of Low Temperature Deposited Diamond-Like Carbon Films

Description: Electrodeposition is a novel method for fabrication of diamond-like carbon (DLC) films on metal substrates. In this work, DLC was electrochemically deposited on different substrates based on an anodic oxidation cyclization of acetylene in liquid ammonia. Successfully anodic deposition was carried out for DLC onto nickel substrate at temperatures below -40°C. Comparative studies were performed on a series of different carbon sources (acetylene, sodium acetylide, and a mixture of acetylene and sodium acetylide). The films were characterized using a variety of methods including Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), XPS valence band spectra, and/or scanning electron microscopy (SEM). Raman spectroscopy is used as a bench mark technique to verify the presence of deposited DLC films, to access the films homogeneities, and to provide the ratio of the different carbon phases, mainly disordered graphite (D) and graphite (G) phases in the films. A combination of the Raman with FTIR and valence band spectra analysis allowed the distinction between hydrogenated DLC and unhydrogenated DLC films. Three different kinds of DLC [(1) hydrogenated DLC (a-C:H); (2) tetrahedral hydrogenated DLC (ta-C:H); and (3) graphitic-like DLC] were deposited depending upon the deposition conditions and substrates. Temperature and current density are the most important parameters to govern the quality of the deposited films, where adding of acetylide into the electrolyte led to films with a higher degree of graphitic phases. The proposed mechanism for acetylene anodic oxidation does not involve direct electron transfer but electrochemical cyclization of acetylene radical cations and hydrogen abstraction at the termination steps. Sodium acetylide, however, dissociates to an acetylenic ion, C2H-, in liquid ammonia. The electrochemistry heterogeneity also leads to island and two-dimensional (2D) nucleation growth of DLC films. Different bond formations of metal to carbon and different chemisorptions of acetylene on metal play important roles ...
Date: August 2004
Creator: Pingsuthiwong, Charoendee
Partner: UNT Libraries

Temperature and spectral investigation of bulk KDP below damage using 355 nm laser irradiation

Description: A spectral and temperature investigation of fast-grown KDP crystals under high fluence, 355 nm laser irradiation is discussed. Pump-and-probe Raman spectroscopy indicate transient changes of the vibrational spectrum. Photothermal deflection experiments provide information on the temporal behavior of the temperature change. The presence of emission in the visible and NIR spectral regions is attributed to the presence of impurities and/or defects in the crystal.
Date: October 1, 1997
Creator: Demos, S. G., LLNL
Partner: UNT Libraries Government Documents Department

Raman spectroscopy and time-resolved photoluminescence of BN and BxCyNz nanotubes

Description: We report Raman and time-resolved photoluminescence spectroscopic studies of multiwalled BN and B{sub x}C{sub y}N{sub z} nanotubes. The Raman spectroscopy shows that the as-grown B{sub x}C{sub y}N{sub z} charge recombination, respectively. Comparison of the photoluminescence of BN nanotubes to that decay process is characterized by two time constants that are attributed to intra- and inter-BN sheet nanotubes as predicted by theory. nanotubes are radially phase separated into BN shells and carbon shells. The photoluminescence of hexagonal BN is consistent with the existence of a spatially indirect band gap in multi-walled BN.
Date: January 21, 2004
Creator: Wu, J.; Han, Wei-Qiang; Walukiewicz, W.; Ager III, J.W.; Shan, W.; Haller,E.E. et al.
Partner: UNT Libraries Government Documents Department

LDRD final report : raman spectroscopic measurements to monitor the HMX beta-delta phase transition.

Description: The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to predictive safety models for HMX and HMX-containing EMs. We report work on monitoring the phase transition with real-time Raman spectroscopy aimed towards obtaining a better understanding of physical properties of HMX through the phase transition. HMX samples were confined in a cell of minimal free volume in a displacement-controlled or load-controlled arrangement. The cell was heated and then cooled at controlled rates while real-time Raman spectroscopic measurements were performed. Raman spectroscopy provides a clear distinction between the phases of HMX because the vibrational transitions of the molecule change with conformational changes associated with the phase transition. Temperature of phase transition versus load data are presented for both the heating and cooling cycles in the load-controlled apparatus, and general trends are discussed. A weak dependence of the temperature of phase transition on load was discovered during the heating cycle, with higher loads causing the phase transition to occur at a higher temperature. This was especially true in the temperature of completion of phase transition data as opposed to the temperature of onset of phase transition data. A stronger dependence on load was observed in the cooling cycle, with higher loads causing the reverse phase transitions to occur at a higher cooling temperature. Also, higher loads tended to cause the phase transition to occur over a longer period of time in the heating cycle and over a shorter period of time in the cooling cycle. All three of the pure HMX phases ({alpha}, {beta} and {delta}) were detected on cooling of the heated samples, either in pure ...
Date: November 1, 2000
Creator: Renlund, Anita Mariana; Tappan, Alexander Smith & Miller, Jill C.
Partner: UNT Libraries Government Documents Department

Kinetics of visible light photo-oxidation of Ge nanocrystals:Theory and in situ measurement

Description: Photo-oxidation of Ge nanocrystals illuminated with visible laser light under ambient conditions was investigated. The photo-oxidation kinetics were monitored by in situ measurement of the crystalline Ge volume fraction by Raman spectroscopy. The effects of laser power and energy on the extent of oxidation were measured using both in situ and ex situ Raman scattering techniques. A mechanistic model in which the tunneling of photo-excited carriers to the oxide surface for electron activated molecular oxygen dissociation is proposed. This quantitative model successfully describes all experimental photo-oxidation observations using physical parameters.
Date: November 14, 2006
Creator: Sharp, I.D.; Xu, Q.; Yuan, C.W.; Beeman, J.W.; Ager III, J.W.; Chrzan, D.C. et al.
Partner: UNT Libraries Government Documents Department

New thin materials for electronics.

Description: The work described in this report is from an Early Career LDRD to develop and investigate novel thin film organic conductors with drastically improved electronic properties over the current state of the art. In collaboration with the Molecular Foundry at Lawrence Berkeley National Laboratory a Langmuir-Blodgett trough (LB) was built from scavenged parts and added to a scanning Raman microscope at LBNL. First order thin peptoid film samples were fabricated for testing Raman and photoluminescence imagining techniques. Tests showed that a single peptoid sheet can be successfully imaged using confocal Raman spectroscopy and a peptoid sheet can be successfully imaged using near-field photoluminescence at a resolution less than 70 nm. These results have helped position Sandia for advances in this area of MOF film creation. In collaboration with the Molecular Foundry at Lawrence Berkeley National Laboratory, a Langmuir-Blodgett trough (LB) was built and added to a scanning Raman microscope at LBNL. Thin peptoid film samples were fabricated for testing Raman and photoluminescence imagining techniques. Tests showed that a single peptoid sheet can be successfully imaged using confocal Raman spectroscopy, and a peptoid sheet can be successfully imaged using near-field photoluminescence at a resolution less than 70 nm. These results have positioned Sandia for advance in this area of MOF film creation. The interactions with LBNL also led to award of two user projects at the Molecular Foundry at LBNL led by current Sandia staff and the appointment of a current Sandia staff to the Molecular Foundry User Executive Committee.
Date: February 1, 2012
Creator: Schwartzberg, Adam
Partner: UNT Libraries Government Documents Department

Nanoparticle Based Surface-Enhanced Raman Spectroscopy

Description: Surface-enhanced Raman scattering is a powerful tool for the investigation of biological samples. Following a brief introduction to Raman and surface-enhanced Raman scattering, several examples of biophotonic applications of SERS are discussed. The concept of nanoparticle based sensors using SERS is introduced and the development of these sensors is discussed.
Date: January 3, 2005
Creator: Talley, C E; Huser, T R; Hollars, C W; Jusinski, L; Laurence, T & Lane, S M
Partner: UNT Libraries Government Documents Department

Raman Spectroscopy of n-Type and p-Type GaSb with Multiple Excitation Wavelengths

Description: The interpretation of Raman spectra of GaSb can be complicated by the presence of a so-called surface space charge region (SSCR), resulting in an inhomogeneous near-surface Raman scattering environment. To fully interpret Raman spectra, it is important to have an understanding of the SSCR profile relative to the Raman probe depth. However, a priori determination of even the actual SSCR width is not always possible for GaSb under a wide range of doping levels. The primary objective of this report is to provide a convenient reference to aid in the determination of relative contributions to an observed GaSb Raman spectrum of SSCR scattering and bulk scattering for a range of excitation wavelengths, doping levels, and SSCR widths and types. Hence, Raman spectra of both n-type and p-type doped GaSb epilayers were obtained using 488 nm, 514.5 nm, 647.1 nm, and 752.55 nm excitation radiation. Both n-type and p-type doped GaSb epilayers were selected for investigation because these layers exhibit the two different SSCR types that are typically encountered with as-grown GaSb and related materials. A range of doping levels were examined for each doping type so as to examine the effects of a varying SSCR width on the observed spectra. A secondary objective of this report is to demonstrate the performance of a spectroscopic system based on 752.55 nm excitation that is sensitive to bulk carrier properties in n-type and p-type doped GaSb epilayers over a wide doping range, unlike visible wavelength-based optical systems.
Date: April 5, 2007
Creator: Maslar JE, Hurst WS, Wang CA
Partner: UNT Libraries Government Documents Department

A comparison of observables for solid-solid phase transitions

Description: The study of solid-solid phase transformations is hindered by the difficulty of finding a volumetric probe to use as a progress variable. Solids are typically optically opaque and heterogeneous. Over the past several years, second harmonic generation (SHG) has been used as a kinetic probe for a solid-solid phase transition in which the initial and final phases have different symmetries. Bulk generation of SHG is allowed by symmetry only in noncentrosymmetric crystallographic space groups. For the organic energetic nitramine octahydro-1,3 ,5,7 -tetranitro-1,3 ,5,7 -tatrazocine (HMX), the beta phase is centro symmetric (space group P2{sub 1}/c) and the delta phase iS noncentrosymmetric (space group P6{sub 1}22) making SHG an extremely sensitive, essentially zero background probe of the phase change progress. We have used SHG as a tool to follow the progress of the transformation from beta to delta phase during the solid-solid transformation. However, kinetic models of the transformation derived using different observables from several other groups have differed, showing later onset for the phase change and faster progression to completion. In this work, we have intercompared several techniques to understand these differences. The three techniques discussed are second harmonic generation, Raman spectroscopy, and differential scanning calorimetry (DSC). The progress of the beta to delta phase transition in HMX observed with each of these different probes will be discussed and advantages and disadvantages of each technique described. This paper compares several different observables for use in measuring the kinetics of solid-solid phase transitions. Relative advantages and disadvantages for each technique are described and a direct comparison of results is made for the beta to delta polymorphic phase transition of the energetic nitramine, octahydro-1,3,5,7-tetranitro-1,3,5,7-tatrazocine.
Date: January 1, 2009
Creator: Smilowitz, Laura B; Henson, Bryan F & Romero, Jerry J
Partner: UNT Libraries Government Documents Department

Raman spectroscopy and principal factor multivariate curve resolution analysis of concentrated A1[sub 2]O[sub 3]-Na[sub 2]O-H[sub 2]O solutions

Description: Principal factor multivariate curve resolution has been applied to a series of Raman spectra for samples representing, highly concentrated alkaline aluminate slurries. Factors are extracted that represent the behavior of the dominant chemical species present, including aluminate monomer, aluminate oligomers, water, and hydroxide. The analysis is particularly useful in unraveling the numerous contributions in the v(0H) region of the spectrum. These extracted factors were further examined by comparing their scores to measured physiochemical properties such as density, relative humidity, and molar concentrations of components, weight fractions, and water activity.
Date: January 1, 2002
Creator: Schoonover, J. R. (Jon R.)
Partner: UNT Libraries Government Documents Department