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At least 127 records · Page 7

Hexagonal boron nitride and water interaction parameters

The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics and ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

THE SEGUE STELLAR PARAMETER PIPELINE. V. ESTIMATION OF ALPHA-ELEMENT ABUNDANCE RATIOS FROM LOW-RESOLUTION SDSS/SEGUE STELLAR SPECTRA

We present a method for the determination of [{alpha}/Fe] ratios from low-resolution (R = 2000) SDSS/SEGUE stellar spectra. By means of a star-by-star comparison with degraded spectra from the ELODIE spectral library and with a set of moderately high-resolution (R = 15, 000) and medium-resolution (R = 6000) spectra of SDSS/SEGUE stars, we demonstrate that we are able to measure [{alpha}/Fe] from SDSS/SEGUE spectra (with S/N>20/1) to a precision of better than 0.1 dex, for stars with atmospheric parameters in the range T{sub eff} = [4500, 7000] K, log g = [1.5, 5.0], and [Fe/H] = [-1.4, +0.3], over the range [{alpha}/Fe] = [-0.1, +0.6]. For stars with [Fe/H] <-1.4, our method requires spectra with slightly higher signal-to-noise to achieve this precision (S/N>25/1). Over the full temperature range considered, the lowest metallicity star for which a confident estimate of [{alpha}/Fe] can be obtained from our approach is [Fe/H] {approx}-2.5; preliminary tests indicate that a metallicity limit as low as [Fe/H] {approx}-3.0 may apply to cooler stars. As a further validation of this approach, weighted averages of [{alpha}/Fe] obtained for SEGUE spectra of likely member stars of Galactic globular clusters (M15, M13, and M71) and open clusters (NGC 2420, M67, and NGC 6791) exhibit good agreement with the values of [{alpha}/Fe] from previous studies. The results of the comparison with NGC 6791 imply that the metallicity range for the method may extend to {approx}+0.5.

79 ASTRONOMY AND ASTROPHYSICS↗

Relation between a three-parameter formula for isotope shifts and staggering parameters

It is noted that the staggering parameters used to describe even-odd effects for isotope shifts can in some cases exhibit very rapidly varying behavior as a function of neutron number. On the other hand, a three-parameter formula (3P) with fixed coefficients can explain the same behavior in the A=40 region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Search for Differences in Oscillation Parameters for Atmospheric Neutrinos and Antineutrinos at Super-Kamiokande

We present a search for differences in the oscillations of antineutrinos and neutrinos in the Super-Kamiokande-I, -II, and -III atmospheric neutrino sample. Under a two-flavor disappearance model with separate mixing parameters between neutrinos and antineutrinos, we find no evidence for a difference in oscillation parameters. Best-fit antineutrino mixing is found to be at ({Delta}m{sup 2},sin{sup 2}2{theta})= (2.0x10{sup -3} eV{sup 2},1.0) and is consistent with the overall Super-K measurement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement of the CP-Violation Parameter sin2Φ 1 with a New Tagging Method at the Υ(5S) Resonance

We report a measurement of the CP-violation parameter sin2Φ 1 at the Υ(5S) resonance using a new tagging method, called “B-π tagging.” In Υ(5S) decays containing a neutral B meson, a charged B, and a charged pion, the neutral B is reconstructed in the J/ψK$0\atop{S}$ CP-eigenstate decay channel. The initial flavor of the neutral B meson at the moment of the Υ(5S) decay is opposite to that of the charged B and may thus be inferred from the charge of the pion without reconstructing the charged B. From the asymmetry between B - π + and B - π - tagged J/ψK$0\atop{S}$ yields, we determine sin2Φ 1 =0.57±0.58(stat)±0.06(syst). The results are based on 121 fb -1 of data recorded by the Belle detector at the KEKB e + e - collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Order Parameters and Color-Flavor Center Symmetry in QCD

Common lore implies that N -color QCD with massive quarks has no useful order parameters that can be nontrivial at zero baryon density. However, such order parameters do exist when there are n f quark flavors with a common mass and d ≡ g c d ( n f , N ) > 1 . These theories have a Z d color-flavor center symmetry arising from intertwined color center transformations and cyclic flavor permutations. Furthermore, the symmetry realization depends on the temperature, baryon chemical potential, and value of n f / N , with implications for conformal window studies and dense quark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Determination of low-energy parameters of neutron-proton scattering in the the shape-parameter approximation from present-day experimental data

On the basis of the total cross sections for neutron-proton scattering in the region of laboratory energies below 150 keV, the value of {sigma}{sub 0} = 20.4288(146) b was obtained for the total cross sections for neutron-proton scattering at zero energy. This value is in very good agreement with the experimental cross sections obtained by Houke and Hurst, but it is at odds with Dilg's experimental cross section. By using the value that we found for {sigma}{sub 0} and the experimental values of the neutron-proton coherent scattering length f, the deuteron binding energy {epsilon}{sub t}, the deuteron effective radius {rho}{sub t}(-{epsilon}{sub t}, -{epsilon}{sub t}), and the total cross section in the region of energies below 5 MeV, the following values were found in the shape-parameter approximation for the low-energy parameters of neutron-proton scattering in the spin-triplet and spin-singlet states: a{sub t} = 5.4114(27) fm, r{sub 0t} = 1.7606(35) fm, v{sub 2t} = 0.157 fm{sup 3}, a{sub s} = -23.7154(80) fm, r{sub 0s} = 2.706(67) fm, and v{sub 2s} = 0.491 fm{sup 3}.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Demonstration of thermal control, microstructure control, defect mitigation and process parameter database generation for Ti-6Al-4V Direct Digital Manufacturing - Understanding defect mitigation and process parameter database generation for direct digital manufacturing

Researchers from Manufacturing Demonstration Facility (MDF) at Oak Ridge National Laboratory (ORNL) worked with Applied Optimization (AO) to understand and evaluate the propensity for defect formation in builds manufactured using DM3D-POM laser direct metal deposition. The main aim of this collaboration was to understand the character of powder jet behavior as a function of the nozzle parameters such as cover gas, carrier gas, and shaping gas. In order to evaluate the sensitivities of the parameters used in model, various experiments were performed with in-situ monitoring of the powder stream characteristics using a high speed camera. A wide variety of conditions while keeping the hopper motor rpm constant, including laser power and travel speed were explored. The cross sections of the deposits were characterized using optical microscopy.

47 OTHER INSTRUMENTATION↗

First Cosmology Results using Type Ia Supernovae from the Dark Energy Survey: Constraints on Cosmological Parameters

We present the first cosmological parameter constraints using measurements of type Ia supernovae (SNe Ia) from the Dark Energy Survey Supernova Program (DES-SN). The analysis uses a subsample of 207 spectroscopically confirmed SNe. Ia from the first three years of DES-SN, combined with a low-redshift sample of 122 SNe from the literature. Our "DES-SN3YR" result from these 329 SNe. Ia is based on a series of companion analyses and improvements covering SN. Ia discovery, spectroscopic selection, photometry, calibration, distance bias corrections, and evaluation of systematic uncertainties. For a flat Lambda CDM model we find a matter density Omega(m) = 0.331 +/- 0.038. For a flat wCDM model, and combining our SN. Ia constraints with those from the cosmic microwave background (CMB), we find a dark energy equation of state w = -0.978 +/- 0.059, and Omega(m) = 0.321 +/- 0.018. For a flat w(0)w(a)CDM model, and combining probes from SN. Ia, CMB and baryon acoustic oscillations, we find w(0) = -0.885 +/- 0.114 and w(a) = -0.387 +/- 0.430. These results are in agreement with a cosmological constant and with previous constraints using SNe. Ia (Pantheon, JLA).

dark energy↗

Urban Parameters Washington, DC 100m

132 Urban parameters based on building physical dimensions and location were generated for Washington, District of Columbia at 100m resolution using the NATURF model. To use the binary file with WRF, the binary file and the index file must be placed in their own directory in WRF_GEOG and accessed in the same way NUDAPT44 would be accessed.

Dumas, Melissa [ORNL] (ORCID:0000000233190846)↗

Observation model and parameter partials for the JPL VLBI parameter estimation software MASTERFIT-1987

This report is a revision of the document of the same title (1986), dated August 1, which it supersedes. Model changes during 1986 and 1987 included corrections for antenna feed rotation, refraction in modelling antenna axis offsets, and an option to employ improved values of the semiannual and annual nutation amplitudes. Partial derivatives of the observables with respect to an additional parameter (surface temperature) are now available. New versions of two figures representing the geometric delay are incorporated. The expressions for the partial derivatives with respect to the nutation parameters have been corrected to include contributions from the dependence of UTI on nutation. The authors hope to publish revisions of this document in the future, as modeling improvements warrant.

Sovers, O. J.↗

Observation model and parameter partials for the JPL VLBI parameter estimation software MODEST, 19 94

This report is a revision of the document Observation Model and Parameter Partials for the JPL VLBI Parameter Estimation Software 'MODEST'---1991, dated August 1, 1991. It supersedes that document and its four previous versions (1983, 1985, 1986, and 1987). A number of aspects of the very long baseline interferometry (VLBI) model were improved from 1991 to 1994. Treatment of tidal effects is extended to model the effects of ocean tides on universal time and polar motion (UTPM), including a default model for nearly diurnal and semidiurnal ocean tidal UTPM variations, and partial derivatives for all (solid and ocean) tidal UTPM amplitudes. The time-honored 'K(sub 1) correction' for solid earth tides has been extended to include analogous frequency-dependent response of five tidal components. Partials of ocean loading amplitudes are now supplied. The Zhu-Mathews-Oceans-Anisotropy (ZMOA) 1990-2 and Kinoshita-Souchay models of nutation are now two of the modeling choices to replace the increasingly inadequate 1980 International Astronomical Union (IAU) nutation series. A rudimentary model of antenna thermal expansion is provided. Two more troposphere mapping functions have been added to the repertoire. Finally, corrections among VLBI observations via the model of Treuhaft and lanyi improve modeling of the dynamic troposphere. A number of minor misprints in Rev. 4 have been corrected.

Sovers, O. J.↗

Modeling of Aircraft Unsteady Aerodynamic Characteristics/Part 3 - Parameters Estimated from Flight Data: Parameters Estimated from Flight Data - Part 3

A nonlinear least squares algorithm for aircraft parameter estimation from flight data was developed. The postulated model for the analysis represented longitudinal, short period motion of an aircraft. The corresponding aerodynamic model equations included indicial functions (unsteady terms) and conventional stability and control derivatives. The indicial functions were modeled as simple exponential functions. The estimation procedure was applied in five examples. Four of the examples used simulated and flight data from small amplitude maneuvers to the F-18 HARV and X-31A aircraft. In the fifth example a rapid, large amplitude maneuver of the X-31 drop model was analyzed. From data analysis of small amplitude maneuvers ft was found that the model with conventional stability and control derivatives was adequate. Also, parameter estimation from a rapid, large amplitude maneuver did not reveal any noticeable presence of unsteady aerodynamics.

Klein, Vladislav↗

Evaluation of the Chromium Resonance Parameters Including Resonance Parameter Covariance

The intent of this work is to report the results and describe the procedures utilized to evaluate the chromium isotopes' cross sections, i.e., (50)Cr, (52)Cr, (53)Cr, and (54)Cr, for criticality safety applications. The evaluations were done in the resolved resonance region using the reduced Reich-Moore R-matrix formalism. The novel aspect of this evaluation is the inclusion of new transmission and capture cross-section measurements performed at the Oak Ridge Electron Linear Accelerator (ORELA) for energies below 100 keV and the extension of the (53)Cr energy region. The resonance analysis was performed with the multilevel R-matrix code, SAMMY, which utilizes the generalized least-squares technique based on the Bayes' theory. Complete sets of resonance parameters and resonance parameter covariance matrices (RPCMs) were obtained for each of the chromium isotopes from the SAMMY analysis of the experimental database.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity of adjustment to parameter correlations and to response-parameter correlations

The adjusted parameters and response, and their respective posterior uncertainties and correlations, are presented explicitly as functions of all relevant prior correlations for the two parameters, one response case. The dependence of these adjusted entities on the various prior correlations is analyzed and portrayed graphically for various valid correlation combinations on a simple criticality problem. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High-speed synchrotron X-ray imaging of directed energy deposition of titanium: effects of processing parameters on the formation of entrapped-gas pores

Laser based directed energy deposition (DED) is a competitive method for repairing and remanufacturing metallic parts used in numerous industries including aerospace and biomedical. However, the numerous dynamic phenomena associated with the DED process often result in defects such as entrapped-gas pores, lack of fusion, and undesirable anisotropic properties. The entrapped-gas pore, being one of the most common issues, not only influences melt-pool dynamics but also reduces the fabrication quality and mechanical properties of parts fabricated by the DED process. To reduce and further understand this issue, the real-time observation of the pore formation process needs to be studied first. To directly observe the phenomena in the melt pool, high-speed techniques are needed because rapid solidification leads to rapid pore formation and movement. In-situ high-speed X-ray has been proven to be an effective method in investigating the melt pool dynamics and pore formation mechanisms in the laser powder bed fusion process, in which the fabrication process is quite different from that in DED. Here, the high-speed X-ray method is extended to study the formation of entrapped-gas pores. The real-time formation and quantitative analysis of pores under each set of processing parameters (particle velocity, laser power, and spot welding dwelling time of stationary laser) in the DED process are investigated. We found that the DED with a higher particle velocity (3.19 m/s) produced a smaller average pore size of 27.8 µm and a lower pore area fraction of 0.52%. The DED under lower laser power (156 W) generated a smaller average pore size of 20.3 µm and a lower pore area fraction of 1.94%. The shorter dwelling time (10 ms) benefited the decrease of both average pore size and pore area fraction.

Defect↗

Comparison of the Kinetic Rate Law Parameters for the Dissolution of Natural and Synthetic Autunite in the Presence of Aqueous Bicarbonate Ions

Bicarbonate is one of the most significant components within the uranium geochemical cycle. In aqueous solutions, bicarbonate forms strong complexes with uranium. As such, aqueous bicarbonate may significantly increase the rate of uranium release from uranium minerals. Quantifying the relationship of aqueous bicarbonate concentration to the rate of uranium release during dissolution is critical to understanding the long-term fate of uranium within the environment. Single-pass flow-through (SPTF) experiments were conducted to estimate the rate of uranium release from Na meta-autunite as a function of bicarbonate (0.0005-0.003 M) under the pH range of 6-11 and a temperature range of 5-60oC. Consistent with the results of previous investigation, the rate of uranium release exhibited minimal dependency on temperature; but were strongly dependent on pH. Increasing aqueous bicarbonate concentrations afforded comparable increases in the rate of release of uranium. Most notably under low pH conditions the aqueous bicarbonate resulted in up to 370 fold increases in the rate of uranium release in relative to the rate of uranium release in the absence of bicarbonate. However, the effect of aqueous bicarbonate on the release of uranium was significantly less under higher pH conditions. It is postulated that at high pH values, surface sites are saturated with carbonate, thus the addition of more bicarbonate would have less effect on uranium release.

Gudavalli, Ravi↗