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At least 1,729 records · Page 96

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DOE OSTI2016

Paramagnetic defects in KH{sub 2}PO{sub 4} crystals with high concentration of embedded TiO{sub 2} nanoparticles

Qualitative transformations of spectra of Electron Paramagnetic Resonance, EPR, were found in KH{sub 2}PO{sub 4} crystals grown from liquor with 10{sup −5}–10{sup −1 }wt. % of anatase TiO{sub 2} nanoparticles in comparison with nominally pure KH{sub 2}PO{sub 4}. The nanoparticles have larger segregation coefficient for prismatic parts of the crystals than for pyramidal ones. Significant decrease in resonance absorption, complete disappearance of EPR lines of Fe{sup 3+} and Cr{sup 3+} centers, and appearance of four weak lines of equal intensities together with broad asymmetric lines with g-factors about 2.07–2.5 was observed in pyramidal parts grown with concentration of TiO{sub 2} nanoparticles larger than the threshold value 10{sup −2 }wt. %. The four lines were attributed to non-controlled impurity As substituted for P. In the presence of TiO{sub 2} nanoparticles, non-paramagnetic AsO{sub 4}{sup 3−} clusters trap electrons becoming AsO{sub 4}{sup 4−}. Disappearance of Fe{sup 3+} and Cr{sup 3+} centers was explained by their recharge to “EPR-silent” states and/or pairing at the surface of TiO{sub 2} nanoparticles.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Measurement of wavelength-dependent extinction to distinguish between absorbing and nonabsorbing aerosol particulates

Measurements of spectral transmission factors in smoky optical transmission paths reveal a difference between wavelength exponents of the extinction cross section of high absorption capacity and those of low absorption capacity. A theoretical explanation of this behavior is presented. In certain cases, it is possible to obtain data on the absorption index of aerosol particles in the optical path by measuring the spectral decadic extinction coefficient at, at least, two wavelengths. In this manner it is possible, for instance, to distinguish smoke containing soot from water vapor.

Portscht, R.↗

NASA NTRS1980

A thermodynamic analysis of a solar-powered jet refrigeration system

The article describes and analyzes a method of using solar energy to drive a jet refrigeration system. A new technique is presented in the form of a performance nomogram combining the energy and momentum equations to determine the performance characteristics. A numerical example, using water as the working fluid, is given to illustrate the nomogram procedure. The resulting coefficient of performance was found comparable with other refrigeration systems such as the solar-absorption system or the solar-Rankine turbocompressor system.

Lansing, F. L.↗

NASA NTRS1983

Development of compact excimer lasers for remote sensing

The capabilities of excimer lasers for remote sensing applications are illustrated in a discussion of the development of a compact tunable XeCl excimer laser for the detection of atmospheric OH radicals. Following a brief review of the operating principles and advantages of excimer lasers, measurements of the wavelength dependence of the net small signal gain coefficient of a discharge excited XeCl laser are presented which demonstrate the overlap of several absorption lines of the A-X(0,0) transition of OH near 308 nm with the wavelengths of the XeCl laser. A range of continuous narrow bandwidth tunability of from 307.6 to 308.4 nm with only a 30 percent variation in output is reported for an XeCl laser used as a double-pass amplifier for a frequency-doubled dye laser, and measurements demonstrating the detection of laser-induced fluorescence from OH in a methane-oxygen flame are also noted. The design of an oscillator-amplifier excimer system comprising a corona-preionized, transverse-discharge oscillator and amplifier is then presented. Output energies of 12-15 mJ have been achieved in the regions where injection locking was established, with energies of 8-10 mJ elsewhere.

Laudenslager, J. B.↗

NASA NTRS1995

High temperature kinetic study of the reactions H + O2 = OH + O and O + H2 = OH + H in H2/O2 system by shock tube-laser absorption spectroscopy

The reactions: (1) H + O2 = OH + O; and (2) O + H2 = OH + H are the most important elementary reactions in gas phase combustion. They are the main chain-branching reaction in the oxidation of H2 and hydrocarbon fuels. In this study, rate coefficients of the reactions and have been measured over a wide range of composition, pressure, density and temperature behind the reflected shock waves. The experiments were performed using the shock tube - laser absorption spectroscopic technique to monitor OH radicals formed in the shock-heated H2/O2/Ar mixtures. The OH radicals were detected using the P(1)(5) line of (0,0) band of the A(exp 2) Sigma(+) from X(exp 2) Pi transition of OH at 310.023 nm (air). The data were analyzed with the aid of computer modeling. In the experiments great care was exercised to obtain high time resolution, linearity and signal-to-noise. The results are well represented by the Arrhenius expressions. The rate coefficient expression for reaction (1) obtained in this study is k(1) = (7.13 +/- 0.31) x 10(exp 13) exp(-6957+/- 30 K/T) cu cm/mol/s (1050 K less than or equal to T less than or equal to 2500 K) and a consensus expression for k(1) from a critical review of the most recent evaluations of k(1) (including our own) is k(1) = 7.82 x 10(exp 13) exp(-7105 K/T) cu cm/mol/s (960 K less than or equal to T less than or equal to 5300 K). The rate coefficient expression of k(2) is given by k(2) = (1.88 +/- 0.07) x 10(exp 14) exp(-6897 +/- 53 K/T) cu cm/mol/s (1424 K less than or equal to T less than or equal to 2427 K). For k(1), the temperature dependent A-factor and the correlation between the values of k(1) and the inverse reactant densities were not found. In the temperature range of this study, non-Arrhenius expression of k(2) which shows the upward curvature was not supported.

Ryu, Si-Ok↗

DOE OSTI2014

The method of imbedded Lagrangian element to estimate wave power absorption by some submerged devices

A simple approach is described to estimate the wave power absorption potential of submerged devices known to cause wave focusing and flow enhancement. In particular, the presence of a flow-through power take-off (PTO) system, such as low-head turbines, can be accounted for. The wave radiation characteristics of an appropriately selected Lagrangian element (LE) in the fluid domain are first determined. In the limit of a vanishing mass, the LE reduces to a patch of distributed normal dipoles. Here, the hydrodynamic coefficients of this virtual object are then input in a standard equation of motion where the effect of the PTO can be represented, for example, as a dashpot damping term. The process is illustrated for a class of devices recently proposed by Carter and Ertekin (2011), although in a simplified form. Favorable wave power absorption is shown for large ratios of the LE wave radiation coefficient over the LE added mass coefficient. Under optimal conditions, the relative flow reduction from the PTO theoretically lies between 0.50 and 1/√2≈ 0.71, with lower values corresponding to better configurations. Wave power capture widths, the sensitivity of results to PTO damping and sample spectral calculations at a typical site in Hawaiian waters are proposed to further illustrate the versatility of the method.

16 TIDAL AND WAVE POWER↗

NASA NTRS2004

Fixed Packed Bed Reactors in Reduced Gravity

We present experimental data on flow pattern transitions, pressure drop and flow characteristics for cocurrent gas-liquid flow through packed columns in microgravity. The flow pattern transition data indicates that the pulse flow regime exists over a wider range of gas and liquid flow rates under microgravity conditions compared to 1-g and the widely used Talmor map in 1-g is not applicable for predicting the transition boundaries. A new transition criterion between bubble and pulse flow in microgravity is proposed and tested using the data. Since there is no static head in microgravity, the pressure drop measured is the true frictional pressure drop. The pressure drop data, which has much smaller scatter than most reported 1-g data clearly shows that capillary effects can enhance the pressure drop (especially in the bubble flow regime) as much as 200% compared to that predicted by the single phase Ergun equation. The pressure drop data are correlated in terms of a two-phase friction factor and its dependence on the gas and liquid Reynolds numbers and the Suratman number. The influence of gravity on the pulse amplitude and frequency is also discussed and compared to that under normal gravity conditions. Experimental work is planned to determine the gas-liquid mass transfer coefficients. Because of enhanced interfacial effects, we expect the gas-liquid transfer coefficients k(L)a and k(G)a (where a is the gas-liquid interfacial area) to be higher in microgravity than in normal gravity at the same flow conditions. This will be verified by gas absorption experiments, with and without reaction in the liquid phase, using oxygen, carbon dioxide, water and dilute aqueous amine solutions. The liquid-solid mass transfer coefficient will also be determined in the bubble as well as the pulse flow regimes using solid benzoic acid particles in the packing and measuring their rate of dissolution. The mass transfer coefficients in microgravity will be compared to those in normal gravity cocurrent flow to determine the mass transfer enhancement and propose new mass transfer correlations for two-phase gas-liquid flows through packed beds in microgravity.

Motil, Brian J.↗

DOE OSTI2017

Debye–Waller coefficient of heavily deformed nanocrystalline iron

Synchrotron radiation X-ray diffraction (XRD) patterns from an extensively ball-milled iron alloy powder were collected at 100, 200 and 300 K. The results were analysed together with those using extended X-ray absorption fine structure, measured on the same sample at liquid nitrogen temperature (77 K) and at room temperature (300 K), to assess the contribution of static disorder to the Debye–Waller coefficient ( B iso ). Both techniques give an increase of ~20% with respect to bulk reference iron, a noticeably smaller difference than reported by most of the literature for similar systems. Besides good quality XRD patterns, proper consideration of the temperature diffuse scattering seems to be the key to accurate values of the Debye–Waller coefficient. Molecular dynamics simulations of nanocrystalline iron aggregates, mapped on the evidence provided by XRD in terms of domain size distribution, shed light on the origin of the observed B iso increase. The main contribution to the static disorder is given by the grain boundary, while line and point defects have a much smaller effect.

36 MATERIALS SCIENCE↗

NASA NTRS2021

Extensive Characterization of Aerosol Optical Properties and Chemical Component Concentrations: Application of the GRASP/Component Approach to Long-term AERONET Measurements

A recently developed GRASP/Component approach (GRASP: Generalized Retrieval of Atmosphere and Surface Properties) was applied to AERONET (Aeronet Robotic Network) sun photometer measurements in this study. Unlike traditional aerosol component retrieval, this approach allows the inference of some information about aerosol composition directly from measured radiance, rather than indirectly through the inversion of optical parameters, and has been integrated into the GRASP algorithm. The newly developed GRASP/Component approach was applied to 13 AERONET sites for different aerosol types under the assumption of aerosol internal mixing rules to analyze the characteristics of aerosol components and their distribution patterns. The results indicate that the retrievals can characterize well the spatial and temporal variability of the component concentration for different aerosol types. A reasonable agreement between GRASP BC retrievals and MERRA-2 BC products is found for all different aerosol types. In addition, the relationships between aerosol component content and aerosol optical parameters such as aerosol optical depth (AOD), fine-mode fraction (FMF), absorption Ångström exponent (AAE), scattering Ångström exponent (SAE), and single scattering albedo (SSA) are also analyzed for indirect verifying the reliability of the component retrieval. It was demonstrated the GRASP/Component optical retrievals are in good agreement with AERONET standard products [e.g., correlation coefficient (R) of 0.93–1.0 for AOD, fine-mode AOD (AODF), coarse-mode AOD (AODC) and Ångström exponent (AE); R = ~ 0.8 for absorption AOD (AAOD) and SSA; RMSE (root mean square error) < 0.03 for AOD, AODF, AODC, AAOD and SSA]. Thus, it is demonstrated the GRASP/Component approach can provide aerosol optical products with comparable accuracy as the AERONET standard products from the ground-based sun photometer measurements as well as some additional important inside on aerosol composition.

Xindan Zhang↗

NASA NTRSDate not supplied

Experimental Calibration of Flow Rule Coefficients for LS-Dyna Mat_213

Composite materials have become a popular choice in aerospace engineering applications due to their low weight, high specific stiffness, high specific energy absorption, and economic synthesis. As use of composite materials has proliferated, the need for accurate simulation under extreme loading conditions is of increasing importance. *MAT_213 is a tabulated plasticity and damage material model in LS-DYNA designed for such use cases. To account for the nonlinear material response, a plasticity algorithm is used, which employs a non-associative flow rule with coefficients requiring experimental calibration. This work outlines an experimental methodology for calibrating these coefficients using the macroscopic stress-strain response and microscopic in-plane strain measurements from coupon scale experiments. The model material used for the development and demonstration of this methodology is a plain weave woven fabric with T300 carbon fiber tows in the warp direction and Kevlar© 49 fiber tows in the weft direction, and an Epon© 828/Epikure© 3223 thermoset epoxy matrix. Coupon-scale tensile testing performed at multiple fiber angles (carbon fibers oriented 0º, 22.5º, 45º, 67.5º, and 90º relative to the loading axis) provides data for multiple calibration processes. The measured plastic strain increments in the principal material coordinate are used to set limits for ratios between flow rule coefficients. The identified ranges are used to bound the search for a set of coefficients, leading to convergence of different coupon responses in the effective stress – effective plastic strain space. Flow rule coefficients found by this methodology are then used as (i) input for LS-DYNA simulations of uniaxial tension coupon tests at varying fiber angles, and (ii) comparison of predicted values for the plastic Poisson’s ratio in global coordinates with the experimentally measured one for all off-axis orientations. These results are quantitatively and qualitatively compared to macroscopic stress-strain curves and experimental strain components. The conformity of the experimentally measured quantities with those derived from the simulations provide a means for assessing the quality of calibrated coefficients.

Polymer Matrix Composites↗

DOE OSTI2016

Sic-Sic Composite Interphase Evaluation via Small Scale Mechanical Testing

Silicon carbide (SiC) has emerged as a highly capable engineering material for extreme environment applications. It has proven particularly useful for high temperature applications where it exhibits exceptional strength, relative chemical inertness, and low coefficient of thermal expansion. Recent studies have shown that SiC also has excellent neutronic properties including low thermal neutron absorption, low tritium permeability, and high radiation tolerance. As a result, SiC-SiC composites are being considered for application in accident tolerant fuel cladding and other structural components for fission and fusion reactors. The standard crystalline form of SiC is inherently brittle and therefore subject to low damage tolerance. In order to increase the material toughness, SiC-SiC fiber-matrix composites have been developed. These composites are divided into three constituents; a highly crystalline and near stoichiometric SiC fiber (commonly Hi-Nicalon{sup TM} Type-S or Tyranno{sup TM}-SA), a (layered) interphase of graphitized pyrolytic carbon (PyC) around the fiber, and a chemical vapor infiltrated (CVI) SiC matrix that consolidates the material. Increased toughness is achieved through two primary mechanisms: increasing the crack length by introducing more barriers, and fiber pullout via interphase shear within the matrix. As a result, it has become critically important to understand the fundamental properties of SiC-SiC composites. However, comprehensive material properties are difficult to predict unless we have an in depth knowledge of the individual constituents (fiber, matrix, interphase) and how their properties interact with one another at the micro-scale. Of specific interest to this work are the interfacial properties of the fiber-matrix interface. This includes the internal friction coefficient and interfacial debond shear stress. (authors)

36 MATERIALS SCIENCE↗

NASA NTRS1972

Shock tube study of the reaction H plus O2 plus Ar yields HO2 plus Ar

Rate coefficient data for the recombination reaction H + 02 + Ar yields H02 + Ar have been determined from studies of lean hydrogen-oxygen mixtures behind incident shock waves over the temperature range of 948 to 1125 K. Hydroxyl radical concentration profiles were measured by ultraviolet absorption spectroscopy, and rate data were obtained through analysis of induction time and exponential growth parameter data. Analysis of the data yielded a rate coefficient which was generally lower than most of the more recent values obtained from shock tube studies. The effect of boundary layer formation on the conditions behind the shock was also examined and found to be negligible.

Jachimowski, C. J.↗

NASA NTRS1981

Ozone air broadening coefficients in the 9-micron region

Air broadening coefficients and line strengths are reported for selected ozone lines in the 8.8 to 10 micron spectral region. These parameters were obtained from a least squares fit of the Voigt line shape to experimental ozone absorption spectra obtained with a tunable diode laser. Analysis of 11 lines in the nu 1 and 18 lines in the nu 3 band suggest a transition dependent coefficient, although no definitive relationship was identified. The average air broadening coefficient for the nu 1 and nu 3 ozone lines is 0.077 and 0.083 per cm/atm, respectively. The measured line strengths are typically 10% to a factor of 2 larger than those given in the AFGL compilation.

Hoell, J. M.↗

DOE OSTI2013

Investigation of the Performance of D 2 O-Cooled High-Conversion Reactors for Fuel Cycle Calculations

This report presents FY13 activities for the analysis of D 2 O cooled tight-pitch High-Conversion PWRs (HCPWRs) with U-Pu and Th-U fueled cores aiming at break-even or near breeder conditions while retaining the negative void reactivity. The analyses are carried out from several aspects which could not be covered in FY12 activities. SCALE 6.1 code system is utilized, and a series of simple 3D fuel pin-cell models are developed in order to perform Monte Carlo based criticality and burnup calculations. The performance of U-Pu fueled cores with axial and internal blankets is analyzed in terms of their impact on the relative fissile Pu mass balance, initial Pu enrichment, and void coefficient. In FY12, Pu conversion performances of D 2 O-cooled HCPWRs fueled with MOX were evaluated with small sized axial/internal DU blankets (approximately 4cm of axial length) in order to ensure the negative void reactivity, which evidently limits the conversion performance of HCPWRs. In this fiscal year report, the axial sizes of DU blankets are extended up to 30 cm in order to evaluate the amount of DU necessary to reach break-even and/or breeding conditions. Several attempts are made in order to attain the milestone of the HCPWR designs (i.e., break-even condition and negative void reactivity) by modeling of HCPWRs under different conditions such as boiling of D 2 O coolant, MOX with different 235 U enrichment, and different target burnups. A similar set of analyses are performed for Th-U fueled cores. Several promising characteristics of 233 U over other fissile like 239 Pu and 235 U, most notably its higher fission neutrons per absorption in thermal and epithermal ranges combined with lower ___ in the fast range than 239 Pu allows Th-U cores to be taller than MOX ones. Such an advantage results in 4% higher relative fissile mass balance than that of U-Pu fueled cores while retaining the negative void reactivity until the target burnup of 51 GWd/t. Several other distinctions between U-Pu and Th-U fueled cores are identified by evaluating the sensitivity coefficients of keff, mass balance, and void coefficient. The effect of advanced iron alloy cladding (i.e., FeCrAl) on the performance of Pu conversion in MOX fueled cores is studied instead of using standard stainless-steel cladding. Variations in clad thickness and coolant-to-fuel volume ratio are also exercised. The use of FeCrAl instead of SS as a cladding alloy reduces the required Pu enrichment and improves the Pu conversion rate primarily due to the absence of nickel in the cladding alloy that results in the reduction of the neutron absorption. Also the difference in void coefficients between SS and FeCrAl alloys is nearly 500 pcm over the entire burnup range. The report also shows sensitivity and uncertainty analyses in order to characterize D 2 O cooled HCPWRs from different aspects. The uncertainties of integral parameters (keff and void coefficient) for selected reactor cores are evaluated at different burnup points in order to find similarities and trends respect to D 2 O-HCPWR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Simultaneously Enhancing Exciton/Charge Transport in Organic Solar Cells by an Organoboron Additive

Efficient exciton diffusion and charge transport play a vital role in advancing the power conversion efficiency (PCE) of organic solar cells (OSCs). Here, a facile strategy is presented to simultaneously enhance exciton/charge transport of the widely studied PM6:Y6-based OSCs by employing highly emissive trans-bis(dimesitylboron)stilbene (BBS) as a solid additive. BBS transforms the emissive sites from a more H-type aggregate into a more J-type aggregate, which benefits the resonance energy transfer for PM6 exciton diffusion and energy transfer from PM6 to Y6. Transient gated photoluminescence spectroscopy measurements indicate that addition of BBS improves the exciton diffusion coefficient of PM6 and the dissociation of PM6 excitons in the PM6:Y6:BBS film. Transient absorption spectroscopy measurements confirm faster charge generation in PM6:Y6:BBS. Moreover, BBS helps improve Y6 crystallization, and current-sensing atomic force microscopy characterization reveals an improved charge-carrier diffusion length in PM6:Y6:BBS. Finally, owing to the enhanced exciton diffusion, exciton dissociation, charge generation, and charge transport, as well as reduced charge recombination and energy loss, a higher PCE of 17.6% with simultaneously improved open-circuit voltage, short-circuit current density, and fill factor is achieved for the PM6:Y6:BBS devices compared to the devices without BBS (16.2%).

14 SOLAR ENERGY↗

DOE OSTI2021

Activating Layered Metal Oxide Nanomaterials via Structural Engineering as Biodegradable Nanoagents for Photothermal Cancer Therapy

Layered metal oxides including MoO 3 and WO 3 have been widely explored for biological applications owing to their excellent biocompatibility, low toxicity, and easy preparation. However, they normally exhibit weak or negligible near-infrared (NIR) absorption and thus are inefficient for photo-induced biomedical applications. Herein, the structural engineering of layered MoO 3 and WO 3 nanostructures is first reported to activate their NIR-II absorption for efficient photothermal cancer therapy in the NIR-II window. White-colored micrometre-long MoO 3 nanobelts are transformed into blue-colored short, thin, defective, interlayer gap-expanded MoO 3–x nanobelts with a strong NIR-II absorption via the simple lithium treatment. The blue MoO 3–x nanobelts exhibit a large extinction coefficient of 18.2 L g –1 cm –1 and high photothermal conversion efficiency of 46.9% at 1064 nm. After surface modification, the MoO 3–x nanobelts can be used as a robust nanoagent for photoacoustic imaging-guided photothermal therapy to achieve efficient cancer cell ablation and tumor eradication under irradiation by a 1064 nm laser. Importantly, the biodegradable MoO 3–x nanobelts can be rapidly degraded and excreted from body. We report the study highlights that the structural engineering of layered metal oxides is a powerful strategy to tune their properties and thus boost their performances in given applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Improving Predictive Capability in REHEDS Simulations with Fast, Accurate, and Consistent Non-Equilibrium Material Properties

Predictive design of REHEDS experiments with radiation-hydrodynamic simulations requires knowledge of material properties (e.g. equations of state (EOS), transport coefficients, and radiation physics). Interpreting experimental results requires accurate models of diagnostic observables (e.g. detailed emission, absorption, and scattering spectra). In conditions of Local Thermodynamic Equilibrium (LTE), these material properties and observables can be pre-computed with relatively high accuracy and subsequently tabulated on simple temperature-density grids for fast look-up by simulations. When radiation and electron temperatures fall out of equilibrium, however, non-LTE effects can profoundly change material properties and diagnostic signatures. Accurately and efficiently incorporating these non-LTE effects has been a longstanding challenge for simulations. At present, most simulations include non-LTE effects by invoking highly simplified inline models. These inline non-LTE models are both much slower than table look-up and significantly less accurate than the detailed models used to populate LTE tables and diagnose experimental data through post-processing or inversion. Because inline non-LTE models are slow, designers avoid them whenever possible, which leads to known inaccuracies from using tabular LTE. Because inline models are simple, they are inconsistent with tabular data from detailed models, leading to ill-known inaccuracies, and they cannot generate detailed synthetic diagnostics suitable for direct comparisons with experimental data. This project addresses the challenge of generating and utilizing efficient, accurate, and consistent non-equilibrium material data along three complementary but relatively independent research lines. First, we have developed a relatively fast and accurate non-LTE average-atom model based on density functional theory (DFT) that provides a complete set of EOS, transport, and radiative data, and have rigorously tested it against more sophisticated first-principles multi-atom DFT models, including time-dependent DFT. Next, we have developed a tabular scheme and interpolation methods that compactly capture non-LTE effects for use in simulations and have implemented these tables in the GORGON magneto-hydrodynamic (MHD) code. Finally, we have developed post-processing tools that use detailed tabulated non-LTE data to directly predict experimental observables from simulation output.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Magnetic field models from energetic particle data at Neptune

The locations of features in the Voyager 2 energetic particle data from Neptune are combined with uncertainties in the multipole expansion of the planetary magnetic field to derive new magnetic field models that are consistent both with various interpretations of the particle features and with the magnetic field data. While assumptions as to the origin of the features must be made, they do not provide sufficient constraints to obtain significant new information on any of the unknown multipole coefficients. However, the magnetic L shell positions of the particle features, which are interpreted primarily as absorption signatures of Neptune's satellites, can, in general, be brought into agreement with expected values.

Selesnick, R. S.↗