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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Short-range order parameter expansions for simple configurational energetics

Local chemical environments of multicomponent crystals are parametrized according to basis vectors of their irreducible invariant subspaces. These short-range order parameters enable Taylor expansions of configurational properties that easily incorporate additional couplings. As one example, expansions including long-range composition can describe the energies of many alloys more accurately than conventional cluster expansions while using far fewer neighbors and basis functions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Finite-range pairing in nuclear density functional theory

Pairing correlations are ubiquitous in low-energy states of atomic nuclei. To incorporate them within nuclear density functional theory, often used for global computations of nuclear properties, pairing functionals that generate nucleonic pair densities and pairing fields are introduced. Many pairing functionals currently used can be traced back to zero-range nucleon-nucleon interactions. Unfortunately, such functionals are plagued by deficiencies that become apparent in large model spaces that contain unbound single-particle (continuum) states. In particular, the underlying computational schemes diverge as the single-particle space increases, and the results depend on how marginally occupied states are incorporated. These problems become more pronounced for pairing functionals that contain gradient-density dependence, such as in the Fayans functional. To remedy this, finite-range pairing functionals are introduced. In this study, this is done by folding the pair density with Gaussians. Here, we show that a folding radius of about 1 fm offers the best compromise between quality and stability, and substantially reduces the pathological behavior in different numerical applications.

Nuclear density functional theory↗
DOE OSTI2024

Equilibrium Dynamics of Infinite-Range Quantum Spin Glasses in a Field

We determine the low-energy spectrum and Parisi replica-symmetry-breaking function for the spin-glass phase of the quantum Ising model with infinite-range random exchange interactions and transverse and longitudinal ( h ) fields. We show that, for all h , the spin-glass state has full replica symmetry breaking and the local spin spectrum is gapless, with a spectral density that vanishes linearly with frequency. These results are obtained using an action functional—argued to yield exact results at low frequencies—that expands in powers of a spin-glass order parameter, which is bilocal in time, and a matrix in replica space. We also present the exact solution of the infinite-range spherical quantum p -rotor model at nonzero h : here, the spin-glass state has one-step replica symmetry breaking and gaplessness only appears after imposition of an additional marginal stability condition. Possible connections to experiments on random arrays of trapped Rydberg atoms are noted. Published by the American Physical Society 2024

Tikhanovskaya, Maria↗
DOE OSTI2025

Range-separated thermal hybrid exchange-correlation density functional for accurate band-gap calculations of warm dense matter

Here, in this study, we present a range-separated thermal hybrid exchange-correlation (XC) functional, termed RS-KDT0, which provides highly accurate band-gap predictions at elevated temperature while reducing the computational cost relative to thermal global hybrid functionals. At zero temperature, RS-KDT0 recovers the widely used ground-state range-separated hybrid functional HSE06. To assess its performance across temperature regimes, we conducted static calculations of electronic pressure, band gaps, and band structures. RS-KDT0 exhibits the same level of accuracy as HSE06 in the low-temperature regime and demonstrates improved agreement with finite-temperature GW calculations at elevated temperatures when compared to other thermal XC functionals such as the generalized gradient approximation (GGA)-level KDT16 and the global hybrid KDT0.

density functional theory↗
DOE OSTI2021

Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites

Spinel iron oxide nanoparticles of different mean sizes in the range 10–25 nm have been prepared by surfactant-free up-scalable near- and super-critical hydrothermal synthesis pathways and characterized using a wide range of advanced structural characterization methods to provide a highly detailed structural description. The atomic structure is examined by combined Rietveld analysis of synchrotron powder X-ray diffraction (PXRD) data and time-of-flight neutron powder-diffraction (NPD) data. The local atomic ordering is further analysed by pair distribution function (PDF) analysis of both X-ray and neutron total-scattering data. It is observed that a non-stoichiometric structural model based on a tetragonal γ-Fe 2 O 3 phase with vacancy ordering in the structure (space group P 4 3 2 1 2) yields the best fit to the PXRD and total-scattering data. Detailed peak-profile analysis reveals a shorter coherence length for the superstructure, which may be attributed to the vacancy-ordered domains being smaller than the size of the crystallites and/or the presence of anti-phase boundaries, faulting or other disorder effects. The intermediate stoichiometry between that of γ-Fe 2 O 3 and Fe 3 O 4 is confirmed by refinement of the Fe/O stoichiometry in the scattering data and quantitative analysis of Mössbauer spectra. The structural characterization is complemented by nano/micro-structural analysis using transmission electron microscopy (TEM), elemental mapping using scanning TEM, energy-dispersive X-ray spectroscopy and the measurement of macroscopic magnetic properties using vibrating sample magnetometry. Notably, no evidence is found of a Fe 3 O 4 /γ-Fe 2 O 3 core-shell nanostructure being present, which had previously been suggested for non-stoichiometric spinel iron oxide nanoparticles. Finally, the study is concluded using the magnetic PDF (mPDF) method to model the neutron total-scattering data and determine the local magnetic ordering and magnetic domain sizes in the iron oxide nanoparticles. The mPDF data analysis reveals ferrimagnetic collinear ordering of the spins in the structure and the magnetic domain sizes to be ∼60–70% of the total nanoparticle sizes. The present study is the first in which mPDF analysis has been applied to magnetic nanoparticles, establishing a successful precedent for future studies of magnetic nanoparticles using this technique.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

From Data to Insights: A Covariate Analysis of the IARPA BRIAR Dataset for Multimodal Biometric Recognition Algorithms at Altitude and Range

This paper examines covariate effects on fused whole body biometrics performance in the IARPA BRIAR dataset, specifically focusing on UAV platforms, elevated positions, and distances up to 1000 meters. The dataset includes outdoor videos compared with indoor images and controlled gait recordings. Normalized raw fusion scores relate directly to predicted false accept rates (FAR), offering an intuitive means for interpreting model results. A linear model is developed to predict biometric algorithm scores, analyzing their performance to identify the most influential covariates on accuracy at altitude and range. Weather factors like temperature, wind speed, solar loading, and turbulence are also investigated in this analysis. The study found that resolution and camera distance best predicted accuracy and findings can guide future research and development efforts in long-range/elevated/UAV biometrics and support the creation of more reliable and robust systems for national security and other critical domains.

Bolme, David↗
DOE OSTI2024

1 kV 150 A Bidirectional Isolated DC/DC Converter With Full Range ZVS For Charger Application

This paper focusses on the development of a bidirectional DC/DC converter based on dual active bridge (DAB) converter for 1 kV class fast charger applications. A novel modulation technique is proposed to achieve zero voltage switching across the entire operating range of a vehicle battery system. The topology includes a tap changer to support multiple class of vehicles. The full range ZVS operation will allow high efficiency operation even at light load, reduced dv/dt to improve transformer insulation lifetime and mitigate EMI impact. A 1 kV class, 150 A prototype was developed to validate the proposed concepts.

Kandula, Prasad↗
DOE OSTI2023

A 0.2–2 GHz Time-Interleaved Multistage Switched-Capacitor Delay Element Achieving 2.55–448.6 ns Programmable Delay Range and 330 ns/mm 2 Area Efficiency

Simulation of radar returns, full-duplex systems, and signal repeaters require hundreds of ns of programmable broadband radio frequency (RF) delay in the signal path to simulate large distances in the case of radar returns, for signal cancellation in full-duplex, and for isolation from reflections in signal repeaters. However, programmable broadband RF delay has been limited to ones of ns due to challenges in miniaturization with low loss and low power consumption. In this work, we present a 0.2–2 GHz digitally programmable RF delay element based on a time-interleaved multistage switched-capacitor (TIMS-SC) approach. The proposed approach enables hundreds of ns of broadband RF delay by employing sample time expansion in multiple stages of switched-capacitor storage elements. Further, the delay element was implemented in a 45 nm SOI CMOS process and achieves a 2.55–448.6 ns programmable delay range with < 0.12% delay variation across 1.8 GHz of bandwidth at maximum delay, 2.42 ns programmable delay steps, and 330 ns/mm 2 area efficiency. Through the proposed approach, the device shows minimal delay change across a -40 °C to 85 °C temperature range and < 0.25 dB gain variation across delay settings. The device achieves 26 dB gain, 7.4 dB noise figure, and consumes 74 mW from a 1 V supply with an active area of 1.36 mm 2 .

42 ENGINEERING↗
DOE OSTI2024

Conditional Sixth-Harmonic Injection to Improve the Linear Modulation Range of Three-Phase Voltage-Source Converters

Overmodulation techniques are used to improve dc bus voltage utilization for three-phase voltage-source converters (VSCs), resulting in significant reduction in fundamental voltage gain. Conventional pulse width modulation (PWM) techniques for three-phase VSCs cannot enhance the linear range of dc bus utilization by more than 15.5%. Here, in this letter, a conditional sixth-harmonic injection technique is introduced, which can theoretically improve the linear modulation range by up to 19.2% for three-phase ac systems without additional hardware components. Experimental validation of the proposed scheme is presented, with its performance compared against the conventional third-harmonic PWM technique.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Effect of Thermal Expansion Coefficient, Viscosity and Melting Range in Simulation of PCM Embedded Heat Exchangers With and Without Fins

Phase change material heat exchangers (PCMHX) have an important role in integrating renewable energy systems. PCMHX can offer high storage density at various temperatures of interest and can be used for grid load shifting purposes. Numerical models enable engineers to estimate PCMHX performance for different design parameters and operating conditions. Modeling phase change phenomena is challenging due to the complex time-dependent nature of the process. The accuracy of models is highly sensitive to PCM thermo-physical properties. Thermal expansion coefficient (β), viscosity (μ) and melting temperature range (MR) of a PCM are important properties, especially when natural convection is not negligible. In PCMHX modeling, using less than accurate values for these properties can have significant impact on the simulation outcomes. These properties and discussions thereof are not readily available in the literature. This paper presents a brief review of the literature and a numerical study investigating the model sensitivity to the above-mentioned properties for PCMHX with and without fins. CFD is used to evaluate the charging (melting) phenomena. The study quantifies the impact of uncertainty in these properties on the melting rate and temperature profile. Constant wall temperature was considered as heat source with no heat loss to ambient. Here, the results show that β and μ has significant effect on the melting rate and evolution of the melting front. For a non-finned domain when comparing results for different published values of β and μ, the deviation in melting time can be up to 12.9% and 57.6% respectively. For high wall temperatures, change in melting range did not impact melting time. But when the wall temperature is reduced, up to 9.8% deviation in melting time is observed.

CFD↗
DOE OSTI2020

The Mertens Unrolled Network (MU-Net): A High Dynamic Range Fusion Neural Network for Through the Windshield Driver Recognition

Face recognition of vehicle occupants through windshields in unconstrained environments poses a number of unique challenges ranging from glare, poor illumination, driver pose and motion blur. In this paper, we further develop the hardware and software components of a custom vehicle imaging system to better overcome these challenges. After the build out of a physical prototype system that performs High Dynamic Range (HDR) imaging, we collect a small dataset of through-windshield image captures of known drivers. We then reformulate the classical Mertens-Kautz-Van Reeth HDR fusion algorithm as a pre-initialized neural network, which we name the Mertens Unrolled Network (MU-Net), for the purpose of fine-tuning the HDR output of through-windshield images. Reconstructed faces from this novel HDR method are then evaluated and compared against other traditional and experimental HDR methods in a pre-trained state-of-the-art (SOTA) facial recognition pipeline, verifying the efficacy of our approach.

Ruby, Max↗
DOE OSTI2021

SiPM-matrix readout of two-phase argon detectors using electroluminescence in the visible and near infrared range

Proportional electroluminescence (EL) in noble gases is used in two-phase detectors for dark matter searches to record (in the gas phase) the ionization signal induced by particle scattering in the liquid phase. The “standard” EL mechanism is considered to be due to noble gas excimer emission in the vacuum ultraviolet (VUV). In addition, there are two alternative mechanisms, producing light in the visible and near infrared (NIR) ranges. The first is due to bremsstrahlung of electrons scattered on neutral atoms (“neutral bremsstrahlung”, NBrS). The second, responsible for electron avalanche scintillation in the NIR at higher electric fields, is due to transitions between excited atomic states. In this work, we have for the first time demonstrated two alternative techniques of the optical readout of two-phase argon detectors, in the visible and NIR range, using a silicon photomultiplier matrix and electroluminescence due to either neutral bremsstrahlung or avalanche scintillation. The amplitude yield and position resolution were measured for these readout techniques, which allowed to assess the detection threshold for electron and nuclear recoils in two-phase argon detectors for dark matter searches. To the best of our knowledge, this is the first practical application of the NBrS effect in detection science.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Charged-particle multiplicity distributions over a wide pseudorapidity range in p–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

This paper presents the primary charged-particle multiplicity distributions in proton–lead collisions at a centre-of-mass energy per nucleon–nucleon collision of $\sqrt{s_{NN}}$ = 5.02 TeV. The distributions are reported for non-single diffractive collisions in different pseudorapidity ranges. The measurements are performed using the combined information from the Silicon Pixel Detector and the Forward Multiplicity Detector of ALICE. The multiplicity distributions are parametrised with a double negative binomial distribution function which provides satisfactory descriptions of the distributions for all the studied pseudorapidity intervals. The data are compared to models and analyzed quantitatively, evaluating the first four moments (mean, standard deviation, skewness, and kurtosis). The shape evolution of the measured multiplicity distributions is studied in terms of KNO variables and it is found that none of the considered models reproduces the measurements. This paper also reports on the average charged-particle multiplicity, normalised by the average number of participating nucleon pairs, as a function of the collision energy. The multiplicity results are then compared to measurements made in proton–proton and nucleus–nucleus collisions across a wide range of collision energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Diffraction properties of cylindrically bent KAP crystals in energy range of 2.3–7.5 keV using synchrotron radiation

Verification of physics models and computer simulations are heavily reliant upon the accuracy of experimental measurements. Calibration of instrument responses becomes an important step to achieve this goal. This paper presents systematic studies of bent potassium acid phthalate (KAP) crystals using Lawrence Berkeley National Laboratories, Advanced Light Source, beamline 9.3.1 in the energy range of 2.3 to 7.5 keV. A set of KAP crystals, gradually bent from flat up to a 50.8 mm cylindrical curvature. The measured integrated reflectivity for this set of KAP crystals shows good agreement with the X-ray Oriented Program (XOP) calculations when adjusting the Debye–Waller temperature factor and using the multilamellar model in the calculations. Significant differences in rocking curve profiles were observed between experimental measurements and theory. A forward convolution model and software code were developed to include experimental parameters, allowing the investigation of the difference between measurements and calculations. After considering the experimental parameters, good agreements were obtained for the rocking curve profiles for all bending radii with a unique set of parameters. Our results show that XOP can be a useful and reliable tool to predict performance of cylindrically bent KAP crystals in this energy range.

Wu, Ming↗
DOE OSTI2022

Temporal and spatial laser intensification within nodular defects overcoated with multilayer dielectric mirrors over a wide range of defect geometries

The nodular defect shape and the laser incidence angle have a dramatic impact on the spatial distribution of light intensification within the nodule as well as how the laser light is drained from the defect. Nodular defect geometries unique to ion beam sputtering, ion-assisted deposition, and electron-beam (e-beam) deposition, respectively, are modeled in this parametric study over a wide range of nodular inclusion diameters and layer count for optical interference mirror coatings constructed with quarter-wave thicknesses and capped with a half wave of the low index material. It was found for hafnia ($n$=1.9) and silica ($n$=1.45) multilayer mirrors that the light intensification in nodular defects with a $C$ factor of 8, typical of e-beam deposited coatings deposited with a wide range of deposition angles, was maximized for a 24-layer design. For intermediate size inclusion diameters, increasing the layer count for normal incidence multilayer mirrors reduced the light intensification within the nodular defect. A second parametric study explored the impact of the nodule shape on the light intensification for a fixed number of layers. In this case, there is a strong temporal trend for the different nodule shapes. Narrow nodules tend to drain more laser energy through the bottom of the nodule into the substrate while wide nodules tend to drain more laser energy through the top of the nodule when irradiated at normal incidence. Further, at a 45° incidence angle, waveguiding is an additional method to drain laser energy from the nodular defect. Finally, laser light resonates within nodular defects longer than within the adjacent nondefective multilayer structure.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Chiral plasmonic metasurface absorbers in the mid-infrared wavelength range

Chiral metamaterials in the mid-infrared wavelength range have tremendous potential for studying thermal emission manipulation and molecular vibration sensing. In this work, we present one type of chiral plasmonic metasurface absorber with high circular dichroism (CD) in absorption of more than 0.56 across the mid-infrared wavelength range of 5-5.5 mu m. The demonstrated chiral metasurface absorbers exhibit a maximum chiral absorption of 0.87 and a maximum CD in absorption of around 0.60. By adjusting the geometric parameters of the unit cell structure of the metasurface, the chiral absorption peak can be shifted to different wavelengths. Due to the strong chiroptical response, the thermal analysis of the designed chiral metasurface absorber further shows the large temperature difference between the left-handed and right-handed circularly polarized light. The demonstrated results can be utilized in various applications such as molecular detection, mid-infrared filter, thermal emission, and chiral imaging.

42 ENGINEERING↗
DOE OSTI2022

Expanding the range of the resolvable strain from distributed fiber optic sensors using a local adaptive reference approach

Optical frequency domain reflectometry (OFDR) is a spectral measurement technique in which shifts in the local Rayleigh backscatter spectra can be used to perform distributed temperature or strain measurements relative to a reference measurement using ordinary single-mode optical fibers. Here, we demonstrate a data processing methodology for improving the resolvable range of temperature and strain by adaptively varying the reference measurement position by position, based on the time evolution of the local optical intensities and the correlation between the reference and active measurements. These methods nearly double the resolvable range of temperature and strain compared with that achieved using the traditional static reference approach.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

1998 North Front Range (NFR) MPO

The North Front Range Travel Survey was a comprehensive study of travel behavior throughout the north front range of Colorado. The primary purpose of the survey was to provide a picture of travel patterns and characteristics of travelers in the Denver region. The survey was part of four primary surveys under the Regional Travel Behavior Inventory—a collaborative effort among the Denver Regional Council of Governments in partnership with the Regional Transportation District, the Colorado Department of Transportation, and the Regional Air Quality Council. The survey, conducted from October to January, provided demographic and household-based trip information for household members age 16 and older from 13,348 households. A 24-hour travel diary was provided to respondents to record their travel.

1Hz data↗