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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Simple, compact, high-resolution monochromatic x-ray source for characterization of x-ray calorimeter arrays

X-ray calorimeters routinely achieve very high spectral resolution, typically a few eV full width at half maximum (FWHM). Measurements of calorimeter line shapes are usually dominated by the natural linewidth of most laboratory calibration sources. This compounds the data acquisition time necessary to statistically sample the instrumental line broadening and can add systematic uncertainty if the intrinsic line shape of the source is not well known. To address these issues, we have built a simple, compact monochromatic x-ray source using channel cut crystals. A commercial x-ray tube illuminates a pair of channel cut crystals that are aligned in a dispersive configuration to select the Kα1 line of the x-ray tube anode material. The entire device, including the x-ray tube, can be easily hand-carried by one person and may be positioned manually or using a mechanical translation stage. The output monochromatic beam provides a collimated image of the anode spot with magnification of unity in the dispersion direction (typically 100 μm–200 μm for the x-ray tubes used here) and is unfocused in the cross-dispersion direction so that the source image in the detector plane appears as a line. We measured output count rates as high as 10 count/s/pixel for the Hitomi soft x-ray spectrometer, which had 819 μm square pixels. We implemented different monochromator designs for energies of 5.4 keV (one design) and 8.0 keV (two designs), which have effective theoretical FWHM energy resolution of 0.125 eV, 0.197 eV, and 0.086 eV, respectively; these are well-suited for optimal calibration measurements of state-of-the art x-ray calorimeters. We measured an upper limit for the energy resolution of our Cr Kα1 monochromator of 0.7 eV FWHM at 5.4 keV, consistent with the theoretical prediction of 0.125 eV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Improved motional Stark effect signal processing using fast Fourier transform spectral analysis

A Fast Fourier Transform (FFT) based method has been developed, which improves the frequency response of the Motional Stark Effect (MSE) system by about a factor of 10 over the conventional analog lock-in method. The method uses fits to rigorously derived analytic expressions for the FFT spectral components of the MSE signal to accurately obtain the amplitudes and phases of the 2f1 and 2f2 photo-elastic modulator (PEM) frequencies that encode the polarization angle. Since no frequency filtering is used in the FFT method, the frequency response is limited by fundamental measurement properties: the frequency response of the detector, photon statistics, sample rate, and the ability to resolve the spectral components. In contrast, the frequency response of the analog lock-in is limited by a low pass filter with a cutoff of around 500 Hz. In the case of the DIII-D MSE system, the output of the photo-multiplier tube detector was sampled at 500 kHz and FFTs with as few as 100 points were used to obtain the amplitudes of the 2f1 and 2f2 PEM frequency components. This corresponds to a frequency response of 5 kHz, about ten times faster than the analog lock-in amplifier system. Details of the FFT method will be presented and compared to those of the analog lock-in system.

Makowski, M. A.↗
DOE OSTI2023

Structure optimization with stochastic density functional theory

Linear-scaling techniques for Kohn–Sham density functional theory are essential to describe the ground state properties of extended systems. Still, these techniques often rely on the localization of the density matrix or accurate embedding approaches, limiting their applicability. In contrast, stochastic density functional theory (sDFT) achieves linear- and sub-linear scaling by statistically sampling the ground state density without relying on embedding or imposing localization. In return, ground state observables, such as the forces on the nuclei, fluctuate in sDFT, making optimizing the nuclear structure a highly non-trivial problem. In this work, we combine the most recent noise-reduction schemes for sDFT with stochastic optimization algorithms to perform structure optimization within sDFT. We compare the performance of the stochastic gradient descent approach and its variations (stochastic gradient descent with momentum) with stochastic optimization techniques that rely on the Hessian, such as the stochastic Broyden–Fletcher–Goldfarb–Shanno algorithm. In conclusion, we further provide a detailed assessment of the computational efficiency and its dependence on the optimization parameters of each method for determining the ground state structure of bulk silicon with varying supercell dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren [B. E. Warren, Acta Crystallogr. 6, 803 (1953)]. We compare the predictions of our model with femtosecond x-ray diffraction patterns gathered from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density instrument of the European X-Ray Free-Electron Laser facility and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

Crystal lattices↗
DOE OSTI2015

Density functional theory calculations of magnetocrystalline anisotropy energies for (Fe 1-x Co x ) 2 B

We present and discuss density functional theory calculations of magnetic properties of the family of ferromagnetic compounds, (Fe 1-x Co x ) 2 B, focusing specifically on the magnetocrystalline anisotropy energy (MAE). Using periodic supercells of various sizes (up to 96 atoms), it is shown that the general qualitative features of the composition dependence of the MAE is in agreement with experimental findings, while our predicted magnitudes are larger than those of experiment. We find that the use of small supercells (6 and 12-atom) favors larger MAE values relative to a statistical sample of configurations constructed with 96-atom supercells. As a result, the effect of lattice relaxations is shown to be small. Calculations of the Curie temperature for this alloy are also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Matter power spectrum and the challenge of percent accuracy

Future galaxy surveys require one percent precision in the theoretical knowledge of the power spectrum over a large range including very nonlinear scales. While this level of accuracy is easily obtained in the linear regime with perturbation theory, it represents a serious challenge for small scales where numerical simulations are required. In this paper we quantify the precision of present-day N -body methods, identifying main potential error sources from the set-up of initial conditions to the measurement of the final power spectrum. We directly compare three widely used N -body codes, Ramses, Pkdgrav3, and Gadget3 which represent three main discretisation techniques: the particle-mesh method, the tree method, and a hybrid combination of the two. For standard run parameters, the codes agree to within one percent at k ≤1 h Mpc{sup −1} and to within three percent at k ≤10 h Mpc{sup −1}. We also consider the bispectrum and show that the reduced bispectra agree at the sub-percent level for k ≤ 2 h Mpc{sup −1}. In a second step, we quantify potential errors due to initial conditions, box size, and resolution using an extended suite of simulations performed with our fastest code Pkdgrav3. We demonstrate that the simulation box size should not be smaller than L =0.5 h {sup −1}Gpc to avoid systematic finite-volume effects (while much larger boxes are required to beat down the statistical sample variance). Furthermore, a maximum particle mass of M {sub p}=10{sup 9} h {sup −1}M{sub ⊙} is required to conservatively obtain one percent precision of the matter power spectrum. As a consequence, numerical simulations covering large survey volumes of upcoming missions such as DES, LSST, and Euclid will need more than a trillion particles to reproduce clustering properties at the targeted accuracy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Hydrodynamic description of D meson production in high-energy heavy-ion collisions *

The large values and constituent-quark-number scaling of the elliptic flow of low-p T D mesons imply that charm quarks, initially produced through hard processes, might be partially thermalized through strong interactions with quark-gluon plasma (QGP) in high-energy heavy-ion collisions. To quantify the degree of thermalization of low-p T charm quarks, we compare the D 0 meson spectra and elliptic flow from a hydrodynamic model to experimental data as well as transport model simulations. We use an effective charm chemical potential at the freeze-out temperature to account for the initial charm quark production from hard processes and assume that they are thermalized in the local comoving frame of the medium before freeze-out. D 0 mesons are sampled statistically from the freeze-out hyper-surface of the expanding QGP as described by the event-by-event (3+1)D viscous hydrodynamic model CLVisc. Both the hydrodynamic and transport models can describe the elliptic flow of D 0 mesons at P T < 3 GeV/c as measured in Au+Au collisions at $sqrts_{NN} = 200$ GeV. Though the experimental data on spectra are consistent with the hydrodynamic result at small p T ~ 1 GeV/c, they deviate from the hydrodynamic model at high transverse momentum, GeV/c. The diffusion and parton energy loss mechanisms in the transport model can describe the measured spectra reasonably well within the theoretical uncertainty. Finally, our comparative study indicates that charm quarks only approach local thermal equilibrium at small p T , even though they acquire sizable elliptic flow comparable to light-quark hadrons at both small and intermediate p T .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

The formation of Milky Way-mass disk galaxies in the first 500 million years of a cold dark matter universe

Whether or not among the myriad tiny protogalaxies there exists a population with similarities to present-day galaxies is an open question. We show, using BlueTides, the first hydrodynamic simulation large enough to resolve the relevant scales, that the first massive galaxies to form are predicted to have extensive rotationally supported disks. Although their morphology resembles in some ways Milky Way types seen at much lower redshifts, these high-redshift galaxies are smaller, denser, and richer in gas than their low-redshift counterparts. From a kinematic analysis of a statistical sample of 216 galaxies at redshift z = 8–10, we have found that disk galaxies make up 70% of the population of galaxies with stellar mass 10{sup 10}M{sub ⊙} or greater. Cold dark matter cosmology therefore makes specific predictions for the population of large galaxies 500 million years after the Big Bang. We argue that wide-field satellite telescopes (e.g., WFIRST) will in the near future discover these first massive disk galaxies. The simplicity of their structure and formation history should make new tests of cosmology possible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Uncovering the truth about M101, NGC 3938, and their significant others through radiative transfer

ABSTRACT Solving the inverse problem in spiral galaxies, that allows the derivation of the spatial distribution of dust, gas, and stars, together with their associated physical properties, directly from panchromatic imaging observations, is one of the main goals of this work. To this end, we used radiative transfer models to decode the spatial and spectral distributions of the nearby face-on galaxies M101 and NGC 3938. In both cases, we provide excellent fits to the surface-brightness distributions derived from GALEX, SDSS, 2MASS, Spitzer, and Herschel imaging observations. Together with previous results from M33, NGC 628, M51, and the Milky Way, we obtain a small statistical sample of modelled nearby galaxies that we analyse in this work. We find that in all cases Milky Way-type dust with Draine-like optical properties provide consistent and successful solutions. We do not find any ‘submm excess’, and no need for modified dust-grain properties. Intrinsic fundamental quantities like star-formation rates (SFR), specific SFR (sSFR), dust opacities, and attenuations are derived as a function of position in the galaxy and overall trends are discussed. In the SFR surface density versus stellar mass surface density space, we find a structurally resolved relation (SRR) for the morphological components of our galaxies, that is steeper than the main sequence (MS). Exception to this is for NGC 628, where the SRR is parallel to the MS.

Pricopi, D.↗
DOE OSTI2024

Project Dinos I: A joint lensing–dynamics constraint on the deviation from the power law in the mass profile of massive ellipticals

The mass distribution in massive elliptical galaxies encodes their evolutionary history, thus providing an avenue to constrain the baryonic astrophysics in their evolution. The power-law assumption for the radial mass profile in ellipticals has been sufficient to describe several observables to the noise level, including strong lensing and stellar dynamics. In this paper, we quantitatively constrained any deviation, or the lack thereof, from the power-law mass profile in massive ellipticals through joint lensing–dynamics analysis of a large statistical sample with 77 galaxy–galaxy lens systems. We performed an improved and uniform lens modelling of these systems from archival Hubble Space Telescope imaging using the automated lens modelling pipeline dolphin. We combined the lens model posteriors with the stellar dynamics to constrain the deviation from the power law after accounting for the line-of-sight lensing effects, a first for analyses on galaxy–galaxy lenses. We find that the Sloan Lens ACS Survey lens galaxies with a mean redshift of 0.2 are consistent with the power-law profile within 1.1σ (2.8σ) and the Strong Lensing Legacy Survey lens galaxies with a mean redshift of 0.6 are consistent within 0.8σ (2.1σ), for a spatially constant (Osipkov–Merritt) stellar anisotropy profile. We adopted the spatially constant anisotropy profile as our baseline choice based on previous dynamical observables of local ellipticals. However, spatially resolved stellar kinematics of lens galaxies are necessary to differentiate between the two anisotropy models. Future studies will use our lens models to constrain the mass distribution individually in the dark matter and baryonic components.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Linear spectropolarimetry of 35 Type Ia supernovae with VLT/FORS: an analysis of the Si$\small {II}$ line polarization

Spectropolarimetry enables us to measure the geometry and chemical structure of the ejecta in supernova explosions, which is fundamental for the understanding of their explosion mechanism(s) and progenitor systems. We collected archival data of 35 Type Ia supernovae (SNe Ia), observed with Focal Reducer and Low-Dispersion Spectrograph (FORS) on the Very Large Telescope at 127 epochs in total. We examined the polarization of the Si ιι λ6355 Å line ($p_{\rm Si\, \small {II}}$) as a function of time, which is seen to peak at a range of various polarization degrees and epochs relative to maximum brightness. We reproduced the $\Delta m_{15}\!-\!p_{\rm Si\, \small {II}}$ relationship identified in a previous study, and show that subluminous and transitional objects display polarization values below the $\Delta m_{15}\!-\!p_{\rm Si\, \small {II}}$ relationship for normal SNe Ia. We found a statistically significant linear relationship between the polarization of the Si ii λ6355 Å line before maximum brightness and the Si ιι line velocity and suggest that this, along with the $\Delta m_{15}\!-\!p_{\rm Si\, \small {II}}$ relationship, may be explained in the context of a delayed-detonation model. In contrast, we compared our observations to numerical predictions in the $\Delta m_{15}\!-\!v_{\rm Si\, \small {II}}$ plane and found a dichotomy in the polarization properties between Chandrasekhar and sub-Chandrasekhar mass explosions, which supports the possibility of two distinct explosion mechanisms. A subsample of SNe displays evolution of loops in the q–u plane that suggests a more complex Si structure with depth. This insight, which could not be gleaned from total flux spectra, presents a new constraint on explosion models. To conclude, we compared our statistical sample of the Si ιι polarization to quantitative predictions of the polarization levels for the double-detonation, delayed-detonation, and violent-merger models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Imaging systematics induced by galaxy subsample fluctuation: New systematics at second order

Imaging systematics refers to the inhomogeneous distribution of a galaxy sample caused by varying observing conditions and astrophysical foregrounds. Current mitigation methods correct the galaxy density fluctuations $n$ gal /$\bar{n}$ gal caused by imaging systematics assuming that all galaxies in a sample have the same $n$ gal /$\bar{n}$ gal . Under this assumption, the corrected sample cannot perfectly recover the true correlation function. Here, we name this effect subsample systematics. For a galaxy sample, even if its overall sample statistics [redshift distribution 𝑛⁡(𝑧), galaxy bias 𝑏⁡(𝑧)], are accurately measured, 𝑛⁡(𝑧), 𝑏⁡(𝑧) can still vary across the observed footprint. It makes the correlation function amplitude of galaxy clustering higher, while correlation functions for galaxy-galaxy lensing and cosmic shear do not have noticeable change. Such a combination could potentially degenerate with physical signals on small angular scales, such as the amplitude of galaxy clustering, the impact of neutrino mass on the matter power spectrum, etc. subsample systematics cannot be corrected using imaging systematics mitigation approaches that rely on the cross-correlation signal between imaging systematics maps and the observed galaxy density field. In this paper, we derive formulated expressions of subsample systematics, demonstrating its fundamental difference with other imaging systematics. We also provide several toy models to visualize this effect. Finally, we discuss a potential method to estimate and mitigate subsample systematics by forward modeling its behavior using synthetic source injection.

Kong, Hui [The Barcelona Institute of Science and ↗
DOE OSTI2022

Role of non-Gaussian quantum fluctuations in neutrino entanglement

The flavor evolution of neutrinos in environments with large neutrino number densities is an open problem at the nexus of astrophysics and neutrino flavor physics. Among the many unanswered questions pertaining to this problem, it remains to be determined whether neutrino-neutrino coherent scattering can give rise to nontrivial quantum entanglement among neutrinos, and whether this can affect the flavor evolution in a meaningful way. To gain further insight into this question, here we study a simple system of two interacting neutrino beams and obtain the exact phase space explored by this system using the Husimi quasiprobability distribution. We observe that the entanglement induced by the coupling leads to strong delocalization in phase-space with largely non-Gaussian quantum fluctuations. The link between the neutrino entanglement and quantum fluctuations is illustrated using the one- and two-neutrino entropy. In addition, we propose an approximate phase-space method to describe the interacting neutrinos problem, where the exact evolution is replaced by a set of independent mean-field evolutions with a statistical sampling of the initial conditions. The phase-space approach provides a simple and accurate method to describe the gross features of the neutrino entanglement problem. Applications are shown using time-independent and time-dependent Hamiltonians in the nonadiabatic regime.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics

In this Letter, we present a framework that combines machine learning potential (MLP) and metadynamics to investigate solid-solid phase transition. Here, based on the spectral descriptors and neural networks regression, we develop a scalable MLP model to warrant an accurate interpolation of the energy surface where two phases coexist. Applying it to the simulation of B4–B1 phase transition of GaN under 50 GPa with different model sizes, we observe sequential change of the phase transition mechanism from collective modes to nucleation and growths. When the size is at or below 128 000 atoms, the nucleation and growth appear to follow a preferred direction. At larger sizes, the nuclei occur at multiple sites simultaneously and grow to microstructures by passing the critical size. The observed change of the atomistic mechanism manifests the importance of statistical sampling with large system size in phase transition modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2015

WE-AB-204-11: Development of a Nuclear Medicine Dosimetry Module for the GPU-Based Monte Carlo Code ARCHER

Purpose: To develop a nuclear medicine dosimetry module for the GPU-based Monte Carlo code ARCHER. Methods: We have developed a nuclear medicine dosimetry module for the fast Monte Carlo code ARCHER. The coupled electron-photon Monte Carlo transport kernel included in ARCHER is built upon the Dose Planning Method code (DPM). The developed module manages the radioactive decay simulation by consecutively tracking several types of radiation on a per disintegration basis using the statistical sampling method. Optimization techniques such as persistent threads and prefetching are studied and implemented. The developed module is verified against the VIDA code, which is based on Geant4 toolkit and has previously been verified against OLINDA/EXM. A voxelized geometry is used in the preliminary test: a sphere made of ICRP soft tissue is surrounded by a box filled with water. Uniform activity distribution of I-131 is assumed in the sphere. Results: The self-absorption dose factors (mGy/MBqs) of the sphere with varying diameters are calculated by ARCHER and VIDA respectively. ARCHER’s result is in agreement with VIDA’s that are obtained from a previous publication. VIDA takes hours of CPU time to finish the computation, while it takes ARCHER 4.31 seconds for the 12.4-cm uniform activity sphere case. For a fairer CPU-GPU comparison, more effort will be made to eliminate the algorithmic differences. Conclusion: The coupled electron-photon Monte Carlo code ARCHER has been extended to radioactive decay simulation for nuclear medicine dosimetry. The developed code exhibits good performance in our preliminary test. The GPU-based Monte Carlo code is developed with grant support from the National Institute of Biomedical Imaging and Bioengineering through an R01 grant (R01EB015478)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Direct comparison of using a Z -transformation instead of the traditional $Q^2$ for extraction of the proton radius from $e-p$ scattering data

A discrepancy in the determination of the proton’s charge radius, r p , between muonic hydrogen spectroscopy versus classic atomic spectroscopy and electron scattering data has become known as the proton radius puzzle. Extractions of r p from electron scattering data require determination of the slope of the proton’s charge form factor, $G$$^{p}_{E}$, in the limit of Q 2 → 0 through fitting and extrapolation. Some works have presented the Z-transformation fitting technique as the best choice for this type of extraction due to the true functional form of $G$$^{p}_{E}$ being mathematically guaranteed to exist within the parameter-space of the fit function. In this work, we test this claim by examining the mathematical bias and variances introduced by this technique as compared to the more traditional Q 2 fits using statistically sampled $G$$^{p}_{E}$ parameterizations with known input radii. Furthermore, our tests conclude that the quality of the Z-transformation technique depends on the range of data used. In the case of new experiments, the fit function and technique should be selected in advance by generating realistic pseudodata and assessing the power of different techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Higgs physics at the CLIC electron–positron linear collider

The Compact Linear Collider (CLIC) is an option for a future \({\mathrm{e}^{+}}{\mathrm{e}^{-}} \) collider operating at centre-of-mass energies up to \(3\,\text {TeV} \) , providing sensitivity to a wide range of new physics phenomena and precision physics measurements at the energy frontier. This paper is the first comprehensive presentation of the Higgs physics reach of CLIC operating at three energy stages: \(\sqrt{s} = 350\,\text {GeV} \) , 1.4 and \(3\,\text {TeV} \) . The initial stage of operation allows the study of Higgs boson production in Higgsstrahlung ( \({\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow {\mathrm{Z}} {\mathrm{H}} \) ) and \({\mathrm{W}} {\mathrm{W}} \) -fusion ( \({\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow {\mathrm{H}} {{\nu }}_{\!\mathrm{e}} {\bar{{\nu }}}_{\!\mathrm{e}} \) ), resulting in precise measurements of the production cross sections, the Higgs total decay width \(\varGamma _{{\mathrm{H}}}\) , and model-independent determinations of the Higgs couplings. Operation at \(\sqrt{s} > 1\,\text {TeV} \) provides high-statistics samples of Higgs bosons produced through \({\mathrm{W}} {\mathrm{W}} \) -fusion, enabling tight constraints on the Higgs boson couplings. Studies of the rarer processes \({\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow \mathrm{t} {\bar{\mathrm{t}}} {\mathrm{H}} \) and \({\mathrm{e}^{+}}{\mathrm{e}^{-}} \rightarrow {\mathrm{H}} {\mathrm{H}} {{\nu }}_{\!\mathrm{e}} {\bar{{\nu }}}_{\!\mathrm{e}} \) allow measurements of the top Yukawa coupling and the Higgs boson self-coupling. This paper presents detailed studies of the precision achievable with Higgs measurements at CLIC and describes the interpretation of these measurements in a global fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗