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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Dark matter and halo bispectrum in redshift space: theory and applications

We present a phenomenological modification of the standard perturbation theory prediction for the bispectrum in redshift space that allows us to extend the model to mildly non-linear scales over a wide range of redshifts, z≤1.5. Our model require 18 free parameters that are fitted to N-body simulations using the shapes k{sub 2}/k{sub 1}=1, 1.5, 2.0, 2.5. We find that we can describe the bispectrum of dark matter particles with ∼5% accuracy for k{sub i}∼<0.10 h/Mpc at z=0, for k{sub i}∼<0.15 h/Mpc at z=0.5, for k{sub i}∼<0.17 h/Mpc at z=1.0 and for k{sub i}∼<0.20 h/Mpc at z=1.5. For very squeezed triangles with k{sub 1}=k{sub 2}∼>0.1 hMpc{sup -1} and k{sub 3}≤0.02 hMpc{sup -1}, however, neither SPT nor the proposed fitting formula are able to describe the measured dark matter bispectrum with this accuracy. We show that the fitting formula is sufficiently general that can be applied to other intermediate shapes such as k{sub 2}/k{sub 1}=1.25, 1.75, and 2.25. We also test that the fitting formula is able to describe with similar accuracy the bispectrum of cosmologies with different Ω{sub m}, in the range 0.2∼< Ω{sub m} ∼< 0.4, and consequently with different values of the logarithmic grow rate f at z=0, 0.4∼< f(z=0) ∼< 0.6. We apply this new formula to recover the bias parameters, f and σ{sub 8}, by combining the redshift space power spectrum monopole and quadrupole with the bispectrum monopole for both dark matter particles and haloes. We find that the combination of these three statistics can break the degeneracy between b{sub 1}, f and σ{sub 8}. For dark matter particles the new model can be used to recover f and σ{sub 8} with ∼1% accuracy. For dark matter haloes we find that f and σ{sub 8} present larger systematic shifts, ∼10%. The systematic offsets arise because of limitations in the modelling of the interplay between bias and redshift space distortions, and represent a limitation as the statistical errors of forthcoming surveys reach this level. Conveniently, we find that these residual systematics are mitigated for combinations of parameters. In particular, the quantity fσ{sub 8} is still recovered with ∼1% accuracy for the particular halo population and cosmology studied. The improvement on the modelling of the bispectrum presented in this paper will be useful for extracting information from current and future galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

An improved scaling procedure for analysis and simplification of process models

Systematic scaling analysis of model equations can be valuable as a tool for developing computationally tractable simulations of physical systems. The scaling analysis methods in literature pose difficulties in the calculation of scale and reference values, when nonlinear terms are involved in the model equations. Further, existing methods involve trial and error procedures in the scaling process. Here in this paper, a systematic approach for handling nonlinear terms is suggested, which results in appropriate scale and reference values that render the dimensionless variable variations to be of order one. Further, trial and error procedures are avoided through a new approach wherein a set of nonlinear algebraic equations are solved to identify the scale and reference values. The proposed scaling approach is common to any given model equations with fixed parameters. However, it is to be noted that the proposed procedure may not handle situations when model equations exhibit steady state multiplicity and have dynamic multi-mode regimes. The proposed scaling procedure is illustrated through various examples of different complexities. A 1D model of WGS reactor as a case study shows the effectiveness of the obtained scale and reference values in obtaining simplified model which represents the steady state and dynamic variations of the variables.

42 ENGINEERING↗
DOE OSTI2013

THE BOSS Ly{alpha} FOREST SAMPLE FROM SDSS DATA RELEASE 9

We present the BOSS Lyman-{alpha} (Ly{alpha}) Forest Sample from SDSS Data Release 9, comprising 54,468 quasar spectra with z{sub qso} > 2.15 suitable for Ly{alpha} forest analysis. This data set probes the intergalactic medium with absorption redshifts 2.0 < z{sub {alpha}} < 5.7 over an area of 3275 deg{sup 2}, and encompasses an approximate comoving volume of 20 h {sup -3} Gpc{sup 3}. With each spectrum, we have included several products designed to aid in Ly{alpha} forest analysis: improved sky masks that flag pixels where data may be unreliable, corrections for known biases in the pipeline estimated noise, masks for the cores of damped Ly{alpha} systems and corrections for their wings, and estimates of the unabsorbed continua so that the observed flux can be converted to a fractional transmission. The continua are derived using a principal component fit to the quasar spectrum redward of rest-frame Ly{alpha} ({lambda} > 1216 A), extrapolated into the forest region and normalized by a linear function to fit the expected evolution of the Ly{alpha} forest mean flux. The estimated continuum errors are {approx}< 5% rms. We also discuss possible systematics arising from uncertain spectrophotometry and artifacts in the flux calibration; global corrections for the latter are provided. Our sample provides a convenient starting point for users to analyze clustering in BOSS Ly{alpha} forest data, and it provides a fiducial data set that can be used to compare results from different analyses of baryon acoustic oscillations in the Ly{alpha} forest. The full data set is available from the SDSS-III DR9 Web site.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Accurate and systematically improvable density functional theory embedding for correlated wavefunctions

We analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using wavefunction methods, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We test an MP2 correction for this term and demonstrate that the corrected embedding scheme accurately reproduces wavefunction calculations for a series of chemical reactions. Our projector-based embedding method uses localized occupied orbitals to partition the system; as with other local correlation methods, abrupt changes in the character of the localized orbitals along a reaction coordinate can lead to discontinuities in the embedded energy, but we show that these discontinuities are small and can be systematically reduced by increasing the size of the active region. Convergence of reaction energies with respect to the size of the active subsystem is shown to be rapid for all cases where the density functional treatment is able to capture the polarization of the environment, even in conjugated systems, and even when the partition cuts across a double bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

An Evaluation of Monte Carlo Simulations of Neutron Multiplicity Measurements of Plutonium Metal

In January 2009, Sandia National Laboratories conducted neutron multiplicity measurements of a polyethylene-reflected plutonium metal sphere. Over the past 3 years, those experiments have been collaboratively analyzed using Monte Carlo simulations conducted by University of Michigan (UM), Los Alamos National Laboratory (LANL), Sandia National Laboratories (SNL), and North Carolina State University (NCSU). Monte Carlo simulations of the experiments consistently overpredict the mean and variance of the measured neutron multiplicity distribution. This paper presents a sensitivity study conducted to evaluate the potential sources of the observed errors. MCNPX-PoliMi simulations of plutonium neutron multiplicity measurements exhibited systematic over-prediction of the neutron multiplicity distribution. The over-prediction tended to increase with increasing multiplication. MCNPX-PoliMi had previously been validated against only very low multiplication benchmarks. We conducted sensitivity studies to try to identify the cause(s) of the simulation errors; we eliminated the potential causes we identified, except for Pu-239 {bar {nu}}. A very small change (-1.1%) in the Pu-239 {bar {nu}} dramatically improved the accuracy of the MCNPX-PoliMi simulation for all 6 measurements. This observation is consistent with the trend observed in the bias exhibited by the MCNPX-PoliMi simulations: a very small error in {bar {nu}} is 'magnified' by increasing multiplication. We applied a scalar adjustment to Pu-239 {bar {nu}} (independent of neutron energy); an adjustment that depends on energy is probably more appropriate.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Organic contamination detection for isotopic analysis of water by laser spectroscopy

Hydrogen and oxygen stable isotope ratios (δ 2 H, δ 17 O, and δ 18 O values) are commonly used tracers of water. These ratios can be measured by isotope ratio infrared spectroscopy (IRIS). However, IRIS approaches are prone to errors induced by organic compounds present in plant, soil, and natural water samples. A novel approach using 17 O-excess values has shown promise for flagging spectrally contaminated plant samples during IRIS analysis. A systematic assessment of this flagging system is needed to prove it useful. Errors induced by methanol and ethanol water mixtures on measured IRIS and isotope ratio mass spectrometry (IRMS) results were evaluated. For IRIS analyses both liquid- and vapour-mode (via direct vapour equilibration) methods are used. The δ 2 H, δ 17 O, and δ 18 O values were measured and compared with known reference values to determine the errors induced by methanol and ethanol contamination. In addition, the 17 O-excess contamination detection approach was tested. This is a post-processing detection tool for both liquid and vapour IRIS triple-isotope analyses, utilizing calculated 17 O-excess values to flag contaminated samples. Organic contamination induced significant errors in IRIS results, not seen in IRMS results. Methanol caused larger errors than ethanol. Results from vapour-IRIS analyses had larger errors than those from liquid-IRIS analyses. The 17 O-excess approach identified methanol driven error in liquid- and vapour-mode IRIS samples at levels where isotope results became unacceptably erroneous. For ethanol contaminated samples, a mix of erroneous and correct flagging occurred with the 17 O-excess method. Here our results indicate that methanol is the more problematic contaminant for data corruption. The 17 O-excess method was therefore useful for data quality control. Organic contamination caused significant errors in IRIS stable isotope results. These errors were larger during vapour analyses than during liquid IRIS analyses, and larger for methanol than ethanol contamination. The 17 O-excess method is highly sensitive for detecting narrowband (methanol) contamination error in vapour and liquid analysis modes in IRIS.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Measurement of the total cross section from elastic scattering in pp collisions at s = 8 TeV with the ATLAS detector

A measurement of the total ppcross section at the LHC at √s=8TeV is presented. An integrated luminosity of 500 μb-1 was accumulated in a special run with high-β beam optics to measure the differential elastic cross section as a function of the Mandelstam momentum transfer variable t. The measurement is performed with the ALFA sub-detector of ATLAS. Using a fit to the differential elastic cross section in the -t range from 0.014GeV2 to 0.1GeV2 to extrapolate t→0, the total cross section, σtot(pp →X), is measured via the optical theorem to be σtot(pp→ X) = 96.07±0.18 (stat.)±0.85 (exp.)± 0.31 (extr.) mb, where the first error is statistical, the second accounts for all experimental systematic uncertainties and the last is related to uncertainties in the extrapolation t→0. In addition, the slope of the exponential function describing the elastic cross section at small t is determined to be B =19.74 ±0.05 (stat.) ±0.23 (syst.) GeV-2.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Direct Deoxygenation of Phenol over Fe-Based Bimetallic Surfaces Using On-the-Fly Surrogate Models

We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that the GPR calculator achieves up to 3 times speedup compared to conventional density functional theory calculations while maintaining high accuracy, with energy barrier errors below 0.015 eV. Using GPR-NEB, we systematically examine the DDO mechanism on pure Fe(110) and surfaces modified with Co and Ni in both top and subsurface layers. Our results show that subsurface Co and Ni substitutions preserve favorable thermodynamics and kinetics for both C–O bond cleavage and C–H bond formation, comparable to those on the pure Fe(110) surface. In contrast, top-layer substitutions generally increase the C–O bond cleavage barrier, render the step endothermic, and result in significantly higher reverse reaction rates, making DDO unfavorable on these surfaces. This work demonstrates the effectiveness of GRR-accelerated transition state searches for complex surface reactions and provides insights into rational design of bimetallic catalysts for selective deoxygenation.

Aromatic compounds↗
DOE OSTI2024

Quantum subspace expansion in the presence of hardware noise

Finding ground state energies on current quantum processing units (QPUs) using algorithms such as the variational quantum eigensolver (VQE) continues to pose challenges. Hardware noise severely affects both the expressivity and trainability of parameterized quantum circuits, limiting them to shallow depths in practice. Here, we demonstrate that both issues can be addressed by synergistically integrating VQE with a quantum subspace expansion, allowing for an optimal balance between quantum and classical computing capabilities and costs. We perform a systematic benchmark analysis of the iterative quantum-assisted eigensolver in the presence of hardware noise. We determine ground state energies of 1D and 2D mixed-field Ising spin models on noisy simulators and the IBM QPUs ibmq_quito (5 qubits) and ibmq_guadalupe (16 qubits). To maximize accuracy, we propose a suitable criterion to select the subspace basis vectors according to the trace of the noisy overlap matrix. Finally, we show how to systematically approach the exact solution by performing controlled quantum error mitigation based on probabilistic error reduction on the noisy backend fake_guadalupe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Effect of Tritium-Induced Damage on Plastic Targets from High-Density DT Permeation

Direct-drive inertial fusion experiments conducted at the Laboratory for Laser Energetics implode 860-μm-diam, 8-μm-thick glow-discharge polymer (GDP) capsules that have a solid, uniform, 60- to 80-μm-thick layer of an equimolar mixture of deuterium and tritium (DT) on their interior. The DT is permeated through the capsule’s wall up to pressures of 1000 atm in small pressure steps to prevent buckling; this occurs over many hours. The capsule is then cooled, the DT is solidified, and the uniform layer is formed using thermal gradients produced by heat deposited from beta decay of the tritium. Thermal contraction of the capsule from cooling is expected to be ~1% of the diameter. Capsules permeated with DT do not exhibit this contraction and retain their room-temperature diameter after cooling. Sources of error in the imaging system were explored, and a systematic 3 μm over measurement of the diameter was revealed and corrected. However, both GDP capsules permeated with only deuterium and polystyrene capsules permeated with DT do exhibit thermal contraction. The highly cross-linked GDP shell is under compressive stress after fabrication and experiences bond breakage when exposed to high-density DT during permeation. It is speculated that some of this compressive stress is relieved during bond cleavage and the capsule’s wall swells, which counteracts contraction during cooling. In addition, mass spectrometry of the DT gas in the permeation system has revealed the presence of hydrocarbons and other carbon-containing species that increase with time, confirming the radio-degradation of the polymer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

ION TRAP STUDIES OF H{sup -} + H {yields} H{sub 2} + e{sup -} BETWEEN 10 AND 135 K

Thermal rate coefficients for forming H{sub 2} via associative detachment in H{sup -} + H collisions were determined using the combination of a 22-pole ion trap (22PT) with a skimmed effusive beam of atomic hydrogen penetrating the ion cloud. The temperature of both reactants have been varied independently (ion trap: T{sub 22PT} = 10-150 K, neutral beam accommodator T{sub ACC} = 10, 50, 120 K). Using various combinations, the temperature range between 10 and 135 K has been accessed for the first time experimentally. The effective number density of H (typically some 10{sup 8} cm{sup -3}) is determined in situ via chemical probing with CO{sup +}{sub 2} ions. With decreasing temperature, the measured thermal rate coefficients decrease slowly from 5.5 Multiplication-Sign 10{sup -9} cm{sup 3} s{sup -1} at 135 K to 4.1 Multiplication-Sign 10{sup -9} cm{sup 3} s{sup -1} at 10 K. The relative error is 10%, while the absolute values may deviate systematically by up to 40%, due to uncertainties in the calibration reaction. Significant improvements of the versatile and sensitive experiment are possible, e.g., by using electron transfer from H to D{sup +} as calibration standard.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A new look at Spitzer primary transit observations of the exoplanet HD 189733b

Blind source separation techniques are used to reanalyze two exoplanetary transit light curves of the exoplanet HD 189733b recorded with the IR camera IRAC on board the Spitzer Space Telescope at 3.6 μm during the 'cold' era. These observations, together with observations at other IR wavelengths, are crucial to characterize the atmosphere of the planet HD 189733b. Previous analyses of the same data sets reported discrepant results, hence the necessity of the reanalyses. The method we used here is based on the Independent Component Analysis (ICA) statistical technique, which ensures a high degree of objectivity. The use of ICA to detrend single photometric observations in a self-consistent way is novel in the literature. The advantage of our reanalyses over previous work is that we do not have to make any assumptions on the structure of the unknown instrumental systematics. Such 'admission of ignorance' may result in larger error bars than reported in the literature, up to a factor 1.6. This is a worthwhile tradeoff for much higher objectivity, necessary for trustworthy claims. Our main results are (1) improved and robust values of orbital and stellar parameters, (2) new measurements of the transit depths at 3.6 μm, (3) consistency between the parameters estimated from the two observations, (4) repeatability of the measurement within the photometric level of ∼2 × 10{sup –4} in the IR, and (5) no evidence of stellar variability at the same photometric level within one year.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

IMPROVED V II log(gf) VALUES, HYPERFINE STRUCTURE CONSTANTS, AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

New experimental absolute atomic transition probabilities are reported for 203 lines of V II. Branching fractions are measured from spectra recorded using a Fourier transform spectrometer and an echelle spectrometer. The branching fractions are normalized with radiative lifetime measurements to determine the new transition probabilities. Generally good agreement is found between this work and previously reported V II transition probabilities. Two spectrometers, independent radiometric calibration methods, and independent data analysis routines enable a reduction in systematic uncertainties, in particular those due to optical depth errors. In addition, new hyperfine structure constants are measured for selected levels by least squares fitting line profiles in the FTS spectra. The new V II data are applied to high resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to determine new, more accurate V abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. Very good agreement is found between our new solar photospheric V abundance, log ε(V) = 3.95 from 15 V II lines, and the solar-system meteoritic value. In HD 84937, we derive [V/H] = –2.08 from 68 lines, leading to a value of [V/Fe] = 0.24.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Blinded challenge for precision cosmology with large-scale structure: Results from effective field theory for the redshift-space galaxy power spectrum

An accurate theoretical template for the galaxy power spectrum is key for the success of ongoing and future spectroscopic surveys. We examine to what extent the effective field theory (EFT) of large-scale structure is able to provide such a template and correctly estimate cosmological parameters. To that end, we initiate a blinded challenge to infer cosmological parameters from the redshift-space power spectrum of high-resolution mock catalogs mimicking the BOSS galaxy sample but covering a 100 times larger cumulative volume. This gigantic simulation volume allows us to separate systematic bias due to theoretical modeling from the statistical error due to sample variance. The challenge is to measure three unknown input parameters used in the simulation: the Hubble constant, the matter density fraction, and the clustering amplitude. We present analyses done by two independent teams, who have fitted the mock simulation data generated by yet another independent group. This allows us to avoid any confirmation bias by analyzers and to pin down possible tuning of the specific EFT implementations. Both independent teams have recovered the true values of the input parameters within subpercent statistical errors corresponding to the total simulation volume.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Understanding Mixed Precision GEMM with MPGemmFI: Insights into Fault Resilience

Emerging deep learning workloads urgently need fast general matrix multiplication (GEMM). Thus, one of the critical features of machine-learning-specific accelerators such as NVIDIA Tensor Cores, AMD Matrix Cores, and Google TPUs is the support of mixed-precision enabled GEMM. For DNN models, lower-precision FP data formats and computation offer acceptable correctness but significant performance, area, and memory footprint improvement. While promising, the mixed-precision computation on error resilience remains unexplored. To this end, we develop a fault injection framework that systematically injects fault into the mixed-precision computation results. We investigate how the faults affect the accuracy of machine learning applications. Based on the characteristics of error resilience, we offer lightweight error detection and correction solutions that significantly improve the overall model accuracy by 75% if the models experience hardware faults. The solutions can be efficiently integrated into the accelerator's pipelines.

Fang, Bo↗
DOE OSTI2018

Exploring cosmic origins with CORE: Mitigation of systematic effects

Here, we present an analysis of the main systematic effects that could impact the measurement of CMB polarization with the proposed CORE space mission. We employ timeline-to-map simulations to verify that the CORE instrumental set-up and scanning strategy allow us to measure sky polarization to a level of accuracy adequate to the mission science goals. We also show how the CORE observations can be processed to mitigate the level of contamination by potentially worrying systematics, including intensity-to-polarization leakage due to bandpass mismatch, asymmetric main beams, pointing errors and correlated noise. We use analysis techniques that are well validated on data from current missions such as Planck to demonstrate how the residual contamination of the measurements by these effects can be brought to a level low enough not to hamper the scientific capability of the mission, nor significantly increase the overall error budget. We also present a prototype of the CORE photometric calibration pipeline, based on that used for Planck, and discuss its robustness to systematics, showing how CORE can achieve its calibration requirements. While a fine-grained assessment of the impact of systematics requires a level of knowledge of the system that can only be achieved in a future study phase, the analysis presented here strongly suggests that the main areas of concern for the CORE mission can be addressed using existing knowledge, techniques and algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Technical Letter Report Development of Flaw Size Distribution Tables Including Effects of Flaw Depth Sizing Errors for Draft 10CFR 50.61a (Alternate PTS Rule) JCN-N6398, Task 4

This document describes a new method to determine whether the flaws in a particular reactor pressure vessel are consistent with the assumptions regarding the number and sizes of flaws used in the analyses that formed the technical justification basis for the new voluntary alternative Pressurized Thermal Shock (PTS) rule (Draft 10 CFR 50.61a). The new methodology addresses concerns regarding prior methodology because ASME Code Section XI examinations do not detect all fabrication flaws, they have higher detection performance for some flaw types, and there are flaw sizing errors always present (e.g., significant oversizing of small flaws and systematic under sizing of larger flaws). The new methodology allows direct comparison of ASME Code Section XI examination results with values in the PTS draft rule Tables 2 and 3 in order to determine if the number and sizes of flaws detected by an ASME Code Section XI examination are consistent with those assumed in the probabilistic fracture mechanics calculations performed in support of the development of 10 CFR 50.61a.

Fabrication Flaws Density and Distribution in RPVs↗