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At least 1,279 records · Page 71

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DOE OSTI2022

Physical properties and electronic structure of single-crystal KCo 2 As 2

We present a method for producing high quality KCo 2 As 2 crystals, stable in air and suitable for a variety of measurements. X-ray diffraction, magnetic susceptibility, electrical transport and heat capacity measurements confirm the high quality and an absence of long range magnetic order down to at least 2 K. Residual resistivity values approaching 0.25 µΩ cm are representative of the high quality and low impurity scattering, and a Sommerfeld coefficient γ = 7.3 mJ/mol K 2 signifies weaker correlations than the Fe-based counterparts. Together with Hall effect measurements, angle-resolved photoemission experiments reveal a Fermi surface consisting of electron pockets at the center and corner of the Brillouin zone, in line with theoretical predictions and in contrast to the mixed carrier types of other pnictides with the ThCr 2 Si 2 structure. A large, linear magnetoresistance of 200% at 14 T, together with an observed linear and hyperbolic, rather than parabolic, band dispersions are unusual characteristics of this compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Predicting initial dissolution rates using structural features from molecular dynamics simulations

Predicting chemical durability of glass materials is important for various applications from daily life such as drink glass and kitchen ware to advanced technologies such as nuclear waste disposal and biomedicine. In this work, we explored prediction of initial dissolution rate through structural features from molecular dynamics (MD) simulations for a wide range of glass compositions (total 28) including borosilicate and aluminosilicate glasses, ZrO 2 -containing and V 2 O 5 -containing boroaluminosilicate glasses. The initial dissolution rates (r 0 ) measured experimentally at 90 °C with varying solution conditions were correlated with structural features (e.g., polyhedral linkages and non-bridging oxygen species) obtained from MD simulations, either from this study or from literature. Since hydrolysis of the glass network through breaking of the network former linkages (e.g., Si-O-Si, Si-O-Al, etc.) is a critical step of network glass dissolution, the statistics of these linkages obtained from MD were correlated to r0 through linear regression, where the coefficient of determination (R 2 ) and root mean square error are found to be 0.949 and 0.681, respectively. This model was compared and discussed with existing models developed by various approaches including machine learning, the kinetic rate equation, topological constraint theory, and other descriptors from MD simulations. The discussion provides insights on future model improvements to predict glass dissolution. In addition, the impact of V 2 O 5 on the glass dissolution was examined in detail, implicating that the impact is not the same across all glass compositions and test conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Comparative Analysis of Thrombin Calibration Algorithms and Correction for Thrombin-α2macroglobulin Activity

Background: The thrombin generation (TG) test is useful for characterizing global hemostasis potential, but fluorescence substrate artifacts, such as thrombin-α2macroglobulin (T-α2MG) signal, inner filter effect (IFE), substrate consumption, and calibration algorithms have been suggested as sources of intra- and inter-laboratory variance, which may limit its clinical utility. Methods: Effects of internal vs. external normalization, IFE and T-α2MG on TG curves in normal plasma supplemented with coagulation factors, thrombomodulin, and tissue factor were studied using the Calibrated Automated Thrombinography (CAT; Diagnostica Stago, Parsippany, NJ, USA) and in-house software. Results: The various calibration methods demonstrated no significant difference in producing TG curves, nor increased the robustness of the TG assay. Several TG parameters, including thrombin peak height (TPH), produced from internal linear calibration did not differ significantly from uncalibrated TG parameters. Further, TPH values from internal linear and nonlinear calibration with or without T-α2MG correction correlated well with TPH from external calibration. Higher coefficients of variation (CVs) for TPH values were observed in both platelet-free and platelet-rich plasma with added thrombomodulin. Conclusions: Our work suggests minimal differences between distinct computational approaches toward calibrating and correcting fluorescence signals into TG levels, with most samples returning similar or equivalent TPH results.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1972

Comparison of heat transfer characteristics of three cooling configurations for air-cooled turbine vanes tested in a turbojet engine

A comparison was made of the heat transfer characteristics of three air cooled vanes. The vanes incorporated cooling schemes such as impingement cooling, film cooling, and convection cooling with and without extended surfaces. A redesign study was made for two vanes to improve the cooling effectiveness. An average impingement heat transfer coefficient was calculated on the bases of experimentally determined temperatures at the leading edge and a one dimensional heat transfer calculation. This heat transfer coefficient was compared with existing impingement heat transfer correlations.

Yeh, F. C.↗

NASA NTRS1975

Hot wire anemometry in transonic flow

The use of hot-wire anemometry for obtaining fluctuating data in transonic flows has been evaluated. From hot-wire heat loss correlations based on previous transonic data, the sensitivity coefficients for velocity, density, and total temperature fluctuations have been calculated for a wide range of test conditions and sensor parameters. For sensor Reynolds numbers greater than 20 and high sensor overheat ratios, the velocity sensitivity remains independent of Mach number and equal to the density sensitivity. These conclusions were verified by comparisons of predicted sensitivities with those from recent direct calibrations in transonic flows. Based on these results, techniques are presented to obtain meaningful measurements of fluctuating velocity, density, and Reynolds shear stress using hot-wire and hot-film anemometers. Examples of these measurements are presented for two transonic boundary layers.

Horstman, C. C.↗

NASA NTRS1976

Effect of grazing flow on steady-state resistance of isolated square-edged orifices

Steady state diagnostic testing of an isolated orifice has shown the nature of the interaction between grazing and orifice flow causing the large increase in orifice resistance for both inflow and outflow. A simple inviscid interaction model is developed which uses thin aerofoil theory to account for pressure forces exerted at the interface between the orifice and grazing flow together with a one-dimensional discharge coefficient concept. The effect of grazing flow boundary layer thickness is also included in the model. Resistance measurements for each orifice tested, over a wide range of grazing flow speeds and flow rates, collapse into a single curve when plotted in terms of effective discharge coefficient against orifice to grazing velocity ratio. The correlation curves for inflow and outflow are different. Data for clustered orifices collapse in the same way as those for the single orifice. The effect of boundary layer thickness is compared with model predictions.

Rogers, T.↗

NASA NTRS1977

Hot-wire anemometry in transonic flow

The use of hot-wire anemometry for obtaining fluctuating data in transonic flows has been evaluated. From hot-wire heat loss correlations based on previous transonic data, the sensitivity coefficients for velocity, density, and total temperature fluctuations have been calculated for a wide range of test conditions and sensor parameters. For sensor Reynolds number greater than 20 and high sensor overheat ratios, the velocity sensitivity remains independent of Mach number and equal to the density sensitivity. These conditions were verified by comparisons of predicted sensitivities with those from recent direct calibrations in transonic flows. Based on these results, techniques are presented to obtain meaningful measurements of fluctuating velocity, density, and Reynolds shear stress using hot-wire and hot-film anemometers. Example of these measurements are presented for two transonic boundary layers.

Horstman, C. C.↗

NASA NTRS1981

An experimental and computational investigation of the transport of Reynolds stress in an axisymmetric swirling boundary layer

A coordinated experimental and computational investigation of the transport and interaction of the individual Reynolds stresses within a turbulent axisymmetric swirling boundary layer flowing over a stationary cylinder is described. The cylinder is instrumented with new directional surface fence skin-friction gages developed for the experiment. The longitudinal and transverse mean velocity profiles are measured with a miniature directional pressure probe. These data provided a standard on which to compare computed results employing a variety of turbulence models. The turbulence models tested range from a simple mixing length model, through a two-equation model, on to the Reynolds stress equation models. The full Reynolds stress equation models are tested with various sets of modeling coefficients for the pressure rate-of-strain correlation. It is shown that while even the simplest model shows the general features of the data, agreement with the experimental data is enhanced through the use of the more complex models. For a better prediction of the data, however, further model improvement is still required.

Higuchi, H.↗

NASA NTRS1981

Calculation of the thermodynamic properties of a mixture of gases as a function of temperature and pressure

The evaluation of the thermodynamic properties of a gas mixture can be performed using a generalized correlation which makes use of the second virial coefficient. This coefficient is based on statistical mechanics and is a function of temperature and composition, but not of pressure. The method provides results accurate to within 3 percent for gases which are nonpolar or only slightly polar. When applied to highly polar gases, errors of 5 to 10 percent may result. For gases which associate, even larger errors are possible. The sequences of calculations can be routinely programmed for a digital computer. The thermodynamic properties of a mixture of neon, argon and ethane were calculated by such a program. The result will be used for the design of the gas replenishment system for the Energetic Gamma Ray Experiment Telescope.

Colon, G.↗

NASA NTRS1985

Spacecraft heat transfer by two-phase flow method

A refrigerator/freezer has been designed with an oil-free compressor to provide an economical two-phase flow system for heat transfer. A computer simulation has been done for the condenser and evaporator to determine the design parameters, such as length, diameter, and flow regimes, for different refrigerants and load requirements. A large Reynolds number was considered to ensure annular flow (in order to maximize heat transfer coefficients) and large Froude number. The simulation was correlated with the test data of a vapor compression refrigerator/freezer flown on STS-4 (which provided information on vapor compression in a zero-gravity environment). The two-phase system will be used for the Spacelab mission SLS-1 and can be used in future spacecraft and high-speed aircraft, where weight, volume, and power requirements are critical.

Hye, A.↗

NASA NTRS1986

Theoretical study of the electric dipole moment function of the ClO molecule

The potential energy function and electric dipole moment function (EDMF) are computed for ClO X 2Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 + or - 2 per sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Pettersson, L. G. M.↗

NASA NTRS1986

Simulation of jet cooling effects on Czochralski crystal growth

The effects of cooling the crystal side surface by blowing a jet of an inert gas are examined in detail for Czochralski crystal growth. A combined model of the crystal + melt, which incorporates the detailed radiation calculations, the shape of the melt-gas meniscus, predicts the growth rate and the crystal-melt interface shape, is used for this study. The convective heat transfer coefficient for the jet is estimated from the correlation available in the literature. The effect of the jet cooling on the interface shape and the pulling rate is significant. The crystal diameter as well as the interface shape tend to be more stable in the environment of the rapid cooling of the crystal by the jet. The crystal diameter or the interface shape can be easily controlled by adjusting the gas flow rate through the jet. This gives the Czochralski pulling an additional degree of freedom facilitating the control of crystal diameter and interface shape.

Srivastava, R. K.↗

NASA NTRS1991

Model of the Frictional Heating of Inconel 718 and Titanium (ti-6al-4v) in Helium

A computer model of the frictional heating of metals in an inert environment has been developed. The model incorporates the effects of the heat loss from the samples due to conduction, radiation, and convection to the surroundings. This model allows the measured temperatures to be used to determine the amount of heat produced at the interface during the experiment by the sliding contact of two different metallic samples. The results of the simulation for an experiment run at the NASA White Sands Test Facility (WSTF) show that for the same heat production at the interface the heat losses have a significant effect on the temperatures in the samples. But, the heat losses do not significantly affect the different calculated heat flows (or friction coefficients), at the interface, that are necessary to correlate the measured temperatures.

Skowlund, Christopher T.↗

NASA NTRS1993

Synergism of active and passive microwave data for estimating bare surface soil moisture

Active and passive microwave sensors were applied effectively to the problem of estimating the surface soil moisture in a variety of environmental conditions. Research to date has shown that both types of sensors are also sensitive to the surface roughness and the vegetation cover. In estimating the soil moisture, the effect of the vegetation and roughness are often corrected either by acquiring multi-configuration (frequency and polarization) data or by adjusting the surface parameters in order to match the model predictions to the measured data. Due to the limitations on multi-configuration spaceborne data and the lack of a priori knowledge of the surface characteristics for parameter adjustments, it was suggested that the synergistic use of the sensors may improve the estimation of the soil moisture over the extreme range of naturally occurring soil and vegetation conditions. To investigate this problem, the backscattering and emission from a bare soil surface using the classical rough surface scattering theory were modeled. The model combines the small perturbation and the Kirchhoff approximations in conjunction with the Peak formulation to cover a wide range of surface roughness parameters with respect to frequency for both active and passive measurements. In this approach, the same analytical method was used to calculate the backscattering and emissivity. Therefore, the active and passive simulations can be combined at various polarizations and frequencies in order to estimate the soil moisture more actively. As a result, it is shown that (1) the emissivity is less dependent on the surface correlation length, (2) the ratio of the backscattering coefficient (HH) over the surface reflectivity (H) is almost independent of the soil moisture for a wide range of surface roughness, and (3) this ratio can be approximated as a linear function of the surface rms height. The results were compared with the data obtained by a multi-frequency radiometer-scatterometer system working at frequencies between 3.0 GHz to 11.0 GHz. The data were acquired over bare soil surfaces with moisture variations due to freezing and thawing and roughness changes due to rain and erosion. The model predictions are shown to be in reasonable agreement with the data. In addition, it was shown that the same ratio when calculated from the data shows almost no dependence on the soil moisture. Finally, a simple technique which combines the backscattering coefficient at HH polarization (active sensing) with the emissivity at H polarization (passive sensing) is suggested for retrieving the soil moisture from bare soil surfaces.

Saatchi, Sasan S.↗

NASA NTRS1959

A Simple Method for Determining Heat Transfer, Skin Friction, and Boundary-Layer Thickness for Hypersonic Laminar Boundary-Layer Flows in a Pressure Gradient

A procedure based on the method of similar solutions is presented by which the skin friction, heat transfer, and boundary-layer thickness in a laminar hypersonic flow with pressure gradient may be rapidly evaluated if the pressure distribution is known. This solution, which at present is. restricted to power-law variations of pressure with surface distance, is presented for a wide range of exponents in the power law corresponding to both favorable and adverse pressure gradients. This theory has been compared to results from heat-transfer experiments on blunt-nose flat plates and a hemisphere cylinder at free-stream Mach numbers of 4 and 6.8. The flat-plate experiments included tests made at a Mach number of 6.8 over a range of angle of attack of +/- 10 deg. Reasonable agreement of the experimental and theoretical heat-transfer coefficients has been obtained as well as good correlation of the experimental results over the entire range of angle of attack studied. A similar comparison of theory with experiment was not feasible for boundary-layer-thickness data; however, the hypersonic similarity theory was found to account satisfactorily for the variation in boundary-layer thickness due to local pressure distribution for several sets of measurements.

Bertram, Mitchel H.↗

NASA NTRS1986

Theoretical Study of the Electric Dipole Moment Function of the CIO Molecule

The potential energy function and electric dipole moment function (EDMF) are computed for CIO Chi(sup 2)Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. Remaining questions concerning the position of the maximum of the EDMF may be resolved through experimental measurement of dipole moments of higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 +/- 2 /sq cm atm in good agreement with three experimental values, but larger than a recent value of 5 /sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Pettersson, Lars G. M.↗

NASA NTRS1994

Separated and Recovering Turbulent Boundary Layer Flow Behind a Backward Facing Step For Different Reynolds Numbers

Experimental results for a two-dimensional separated turbulent boundary layer behind a backward facing step for five different Reynolds numbers are reported. Results are presented in the form of tables, graphs and a floppy disk for an easy access of the data. Reynolds number based on the step height was varied by changing the reference velocity upstream of the step, U(sub o), and the step height, h. Hot-wire measurement techniques were used to measure three Reynolds stresses and four triple-velocity correlations. In addition, surface pressure and skin friction coefficients were measured. All hot-wire measurements were acquired in a measuring domain which excluded recirculating flow region due to the directional insensitivity of hot-wires. The downstream extent of the domain from the step was 51 h for the largest and I 14h for the smallest step height. This significant downstream length permitted extensive study of the flow recovery. Prediction of perturbed flows and their recovery is particularly attractive for popular turbulence models since variations of turbulence length and time scales and flow interactions in different regions are generally inadequately predicted. The data indicate that the flow in the free shear layer region behaves like the plane mixing layer up to about 2/3 of the mean reattachment length when the flow interaction with the wall commences the flow recovery to that of an ordinary turbulent boundary layer structure. These changes of the flow do not occur abruptly with the change of boundary conditions. A reattachment region represents a transitional region where the flow undergoes the most dramatic adjustments to the new boundary conditions. Large eddies, created in the upstream free-shear layer region, are being torn, recirculated, reentrained back into the main stream interacting with the incoming flow structure. It is foreseeable that it is quite difficult to describe the physics of this region in a rational and quantitative manner other than statistical. Downstream of the reattachment point the flow recovers at different rates near the wall, in the newly developing internal boundary layer, and in the outer part of the flow. It appears that Reynolds stresses do not fully recover up to the longest recovery length of 114 h.

Jovic, Srba↗

NASA NTRS1995

(abstract) Variations in Polarimetric Backscatter of Saline Ice Grown Under Diurnal Thermal Cycling Condition

An experiment was carried out in January 1994 at the Geophysical Research Facility in the Cold Regions Research and Engineering Laboratory. To investigate effects on polarimetric scattering signatures of sea ice growth under diurnal temperature variations, an ice sheet was grown for 2.5 days for the thickness of 10 cm and a polarimetric radar operating at C-band was used to obtain backscattering data in conjunction with ice-characterization measurements. The ice sheet was grown in the late morning of January 19, 1994. The initial growth rate was slow due to high insolation and temperature. As the air temperature dropped during the night, the growth rate increased significantly. The air temperature changed drastically from about -10(deg)C to -35(deg)C between day and night. The temperature cycle was repeated during the next day and the growth rate varied in the same manner. The surface of the ice was partially covered by frost flowers and the areal coverage increased as the ice became thicker. Throughout the ice growth duration of 2.5 days, polarimetric backscatter data were collected at roughly every centimeter of ice growth. For each set of radar measurements of saline ice, a set of calibration measurements was carried out with trihedrial corner reflectors and a metallic sphere. Measured polarimetric backscattering coefficients of the ice sheet reveal a strong correlation between radar data and temperature variations. As the temperature increased (decreased), the backscatter increased (decreased) correspondingly. From the ice-characterization data, temperatures of the air, at the ice-air interface, and in the ice layer had the same variation trend. Another interesting experimental observation is that the salinity measured as a function of ice depth from a sample of 10-cm thich ice indicated that the salinity variations had a similar cycle as the temperature; i.e., the salinity profile recorded the history of the temperature variations. Characterization data of the ice sheet are used in a theoretical model for scattering from saline ice with frost cover to explain the observed polarimetric signatures.

characterization polarimetric radar salinity tempe↗