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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Asymptotic-state prediction for fast flavor transformation in neutron star mergers

Neutrino flavor instabilities appear to be omnipresent in dense astrophysical environments, thus presenting a challenge to large-scale simulations of core-collapse supernovae and neutron star mergers (NSMs). Subgrid models offer a path forward, but require an accurate determination of the local outcome of such conversion phenomena. Focusing on “fast” instabilities, related to the existence of a crossing between neutrino and antineutrino angular distributions, we consider a range of analytical mixing schemes, including a new, fully three-dimensional one, and also introduce a new machine learning (ML) model. We compare the accuracy of these models with the results of several thousands of local dynamical calculations of neutrino evolution from the conditions extracted from classical NSM simulations. Our ML model shows good overall performance, but struggles to generalize to conditions from a NSM simulation not used for training. The multidimensional analytic model performs and generalizes even better, while other analytic models (which assume axisymmetric neutrino distributions) do not have reliably high performances, as they notably fail as expected to account for effects resulting from strong anisotropies. As a result, the ML and analytic subgrid models extensively tested here are both promising, with different computational requirements and sources of systematic errors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Optical conductivity study of mixed-valent quasi-one-dimensional CeIr 3 ⁢B 2

Here, we present a combined theoretical and experimental study on the optical conductivity of CeIr 3 ⁢B 2 , where quasi-one-dimensional Ce chains form along the 𝑐 axis of the monoclinic crystal. Significant hybridization-induced features are observed along the Ce chains by broadband infrared spectroscopy, demonstrating mixed-valent behavior over a wide range of temperatures (6–300 K) and energies (up to 0.8 eV). The ferromagnetic transition at 41 K had no noticeable influence on the temperature evolution of the optical conductivity. A comparison with density functional theory plus dynamic mean-field theory calculations demonstrates the quasi-one-dimensional nature of CeIr 3 ⁢B 2 and the local character of the interactions responsible for the electronic renormalization. Furthermore, we demonstrate how the spectroscopic signatures of this mixed-valent compound are captured by theory, providing a clear distinction from the response expected in the integer-valent Kondo regime.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Adaptable Constrained Genetic Programming: Extensions and Applications

An evolutionary algorithm applies evolution-based principles to problem solving. To solve a problem, the user defines the space of potential solutions, the representation space. Sample solutions are encoded in a chromosome-like structure. The algorithm maintains a population of such samples, which undergo simulated evolution by means of mutation, crossover, and survival of the fittest principles. Genetic Programming (GP) uses tree-like chromosomes, providing very rich representation suitable for many problems of interest. GP has been successfully applied to a number of practical problems such as learning Boolean functions and designing hardware circuits. To apply GP to a problem, the user needs to define the actual representation space, by defining the atomic functions and terminals labeling the actual trees. The sufficiency principle requires that the label set be sufficient to build the desired solution trees. The closure principle allows the labels to mix in any arity-consistent manner. To satisfy both principles, the user is often forced to provide a large label set, with ad hoc interpretations or penalties to deal with undesired local contexts. This unfortunately enlarges the actual representation space, and thus usually slows down the search. In the past few years, three different methodologies have been proposed to allow the user to alleviate the closure principle by providing means to define, and to process, constraints on mixing the labels in the trees. Last summer we proposed a new methodology to further alleviate the problem by discovering local heuristics for building quality solution trees. A pilot system was implemented last summer and tested throughout the year. This summer we have implemented a new revision, and produced a User's Manual so that the pilot system can be made available to other practitioners and researchers. We have also designed, and partly implemented, a larger system capable of dealing with much more powerful heuristics.

Janikow, Cezary Z.↗
DOE OSTI2021

Feasibility of full-core pin resolved CFD simulations of small modular reactor with momentum sources

Complex flow structure interactions and heat transfer processes take place in nuclear reactor cores. Given the extreme pressure/temperature and radioactive conditions inside the core, numerical simulations offer an attractive and sometimes more feasible approach to study the related flow and heat transfer phenomena in addition to the experiments. Under the Exascale Computing Project, the full-core simulation of a small modular reactor (SMR) has been pursued coupling Computational Fluid Dynamics (CFD) and neutronics. A key aspect of the modeling of SMR fuel assemblies is the presence of spacer grids and the mixing promoted by mixing vanes or the equivalent. A reduced order methodology is adopted based on momentum sources to mimic the mixing of the vanes. The momentum sources have been carefully calibrated with detailed Large Eddy Simulations (LES) of spacer grids performed with Nek5000. Modeling the spacer grid and mixing vanes (SGMV) effect without body-fitted computational grid avoids the excessive costs in resolving the local geometric details, and thus supports the simulation to be scaled up to the full core. Besides the progress on momentum source modeling, this paper also features the first full-core pin resolved CFD simulation ever performed to the authors' knowledge. This represents a significant advancement in capability for the CFD of nuclear reactors, which will hopefully serve as an inspiration for further integrating high-fidelity numerical simulations in actual engineering designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Verification of diesel spray ignition phenomenon in dual-fuel diesel-piloted premixed natural gas engine

Dual-fuel (DF) engines, in which premixed natural gas and air in an open-type combustion chamber is ignited by diesel-fuel pilot sprays, have been more popular for marine use than pre-chamber spark ignition (PCSI) engines because of their superior durability. However, control of ignition and combustion in DF engines is more difficult than in PCSI engines. In this context, here we focus on the ignition stability of n-heptane pilot-fuel jets injected into a compressed premixed charge of natural gas and air at low-load conditions. To aid understanding of the experimental data, chemical-kinetics simulations were carried out in a simplified engine-environment that provided insight into the chemical effects of methane (CH4) on pilot-fuel ignition. The simulations reveal that CH4 has an effect on both stages of n-heptane autoignition: the small, first-stage, cool-flame-type, low-temperature ignition (LTI) and the larger, second-stage, high-temperature ignition (HTI). As the ratio of pilot-fuel to CH4 entrained into the spray decreases, the initial oxidization of CH4 consumes the OH radicals produced by pilot-fuel decomposition during LTI, thereby inhibiting its progression to HTI. Using imaging diagnostics, the spatial and temporal progression of LTI and HTI in DF combustion are measured in a heavy-duty optical engine, and the imaging data are analyzed to understand the cause of severe fluctuations in ignition timing and combustion completeness at low-load conditions. Images of cool-flame and hydroxyl radical (OH*) chemiluminescence serve as indicators of LTI and HTI, respectively. The cycle-to-cycle and spatial variation in ignition extracted from the imaging data are used as key metrics of comparison. The imaging data indicate that the local concentration of the pilot-fuel and the richness of the surrounding natural-gas air mixture are important for LTI and HTI, but in different ways. In particular, higher injection pressures and shorter injection durations increase the mixing rate, leading to lower concentrations of pilot-fuel more quickly, which can inhibit HTI even as LTI remains relatively robust. Decreasing the injection pressure from 80 MPa to 40 MPa and increasing the injection duration from 500 µs to 760 µs maintained constant pilot-fuel mass, while promoting robust transition from LTI to HTI by effectively slowing the mixing rate. This allows enough residence time for the OH radicals, produced by the two-stage ignition chemistry of the pilot-fuel, to accelerate the transition from LTI to HTI before being consumed by CH4 oxidation. Thus from a practical perspective, for a premixed natural gas fuel–air equivalence-ratio, it is possible to improve the “stability” of the combustion process by solely manipulating the pilot-fuel injection parameters while maintaining constant mass of injected pilot-fuel. This allows for tailoring mixing trajectories to offset changes in fuel ignition chemistry, so as to promote a robust transition from LTI to HTI by changing the balance between the local concentration of the pilot-fuel and richness of the premixed natural gas and air. This could prove to be a valuable tool for combustion design to improve fuel efficiency or reduce noise or perhaps even reduce heat-transfer losses by locating early combustion away from in-cylinder walls.

42 ENGINEERING↗
NASA NTRS1993

Small hydrogen/oxygen rocket flowfield behavior from heat flux measurements

The mixing and heat transfer phenomena in small rocket flow fields with fuel film cooling is not well understood. An instrumented, water-cooled chamber with a gaseous hydrogen/gaseous oxygen injector was used to gather steady-state inner and outer wall temperature profiles. The chamber was tested at 414 kPa (60 psia) chamber pressure, from mixture ratios of 3.41 to 8.36. Sixty percent of the fuel was used for film cooling. These temperature profiles were used as boundary conditions in a finite element analysis program, MSC/NASTRAN, to calculate the local radial and axial heat fluxes in the chamber wall. The normal heat fluxes were then calculated and used as a diagnostic of the rocket's flow field behavior. The normal heat fluxes determined were on the order of 1.0 to 3.0 MW/meters squared (0.6 to 1.8 Btu/sec-inches squared). In the cases where mixture ratio was 5 or above, there was a sharp local heat flux maximum in the barrel section of the chamber. This local maximum seems to indicate a reduction or breakdown of the fuel film cooling layer, possibly due to increased mixing in the shear layer between the film and core flows. However, the flow was thought to be completely laminar, as the throat Reynolds numbers were below 50,000 for all the cases. The increased mixing in the shear layer in the higher mixture ratio cases appeared not to be due to the transition of the flow from laminar to turbulent, but rather due to increased reactions between the hydrogen film and oxidizer-rich core flows.

Reed, Brian D.↗
DOE OSTI2024

Defect-Limited Mobility and Defect Thermochemistry in Mixed A-Cation Tin Perovskites: (CH3NH3)1-xCsxSnBr3

Hybrid organic-inorganic semiconductors crystallizing in the perovskite structure present a significant opportunity for realizing defect-tolerant semiconductors. In this work, we examine the solid solution, (CH3NH3)1-xCsxSnBr3, and identify the thermochemistry dictating the intrinsic carrier concentrations and how local structural distortions influences this electronic behavior. This family of compounds exhibits the expected systematic trend in decreasing optical gap with the cesium to methylammonium A-site mixing ratio, x, in the visible region. However, the carrier mobility, as determined from time-resolved microwave conductivity measurements, trends opposite to that expected from first-principles calculations combined with Boltzmann scattering theory calculations of the carrier mobility. We propose that this is a result of increasing carrier scattering with x in (CH3NH3)1-xCsxSnBr3 due to a significant increase in the carrier density with x. By examining the dependence of the carrier density as a function of x, we infer the compositional-dependence of the average enthalpy and nonconfigurational entropy per defect. While diffraction reveals a cubic aristotypic perovskite structure as a function of x at room temperature, the pair distribution functions obtained from synchrotron X-ray total scattering from these materials are better described by symmetry-adapted displacement modes of the Pm3m crystal structure, which we attribute to a large degree of anharmonic dynamics of the atom positions. This analysis shows that CH3NH3+-rich compositions retain mostly linear Sn-Br-Sn bonding environments through the displacements, while Cs+-rich compositions lead to more significantly bent Sn-Br-Sn environments. We propose that these bent bonding arrangements in Cs-rich compositions yield a higher propensity for defect formation. This also provides a rationale for carrier trapping that gives rise to anomalous microwave transients. Together, these results provide insight into the structure-dynamics-properties relationships in this highly anharmonic system with high amplitude atomic motions and low defect formation energies.

defect thermochemistry↗
NASA NTRS1999

A Shell/3D Modeling Technique for Delaminations in Composite Laminates

A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗
DOE OSTI2025

SCILLA 1 Hz merged data

The overarching goal of the Southern California Interactions of Low Cloud and Land Aerosol (SCILLA) experiment is to understand the interplay among horizontal circulation, vertical mixing, aerosols and clouds in the Southern California (SoCal) Bight. Eddy circulations within the Bight are frequently present when low clouds are persistent, and the transport of pollution into the Bight also depends on the regional and local circulation. The contrast between the cooler near-surface marine air with the warmer overlying continental and/or free tropospheric air is crucial to the efficiency of vertical mixing, and vertical transport of aerosols into the boundary layer. The CIRPAS Twin Otter aircraft was based in San Diego, CA, to perform airborne measurements of winds, aerosols, and clouds for 1 month (June 2023), with a geographical focus on the SoCal Bight. The deployment coincided with the DOE-funded Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), which deployed a range of ground-based aerosol and cloud sensors and samplers from Feb. 2023 to Feb. 2024, mostly in and around San Diego. The aircraft deployment specifically seeks to answer questions about the cause of regions of elevated cloud drop number concentration from satellite-observed variations over the SoCal Bight, the role of horizontal advection relative to vertical transport and mixing, and the role of the thermodynamic properties (rather than aerosol properties) of continental air in modifying nearshore clouds.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Experimental study of a free turbulent shear flow at Mach 19 with electron-beam and conventional probes

An experimental study of the initial development region of a hypersonic turbulent free mixing layer was made. Data were obtained at three stations downstream of a M = 19 nozzle over a Reynolds range of 1.3 million to 3.3 million per meter and at a total temperature of about 1670 K. In general, good agreement was obtained between electron-beam and conventional probe measurements of local mean flow parameters. Measurements of fluctuating density indicated that peak root-mean-square (rms) levels are higher in the turbulent free mixing layer than in boundary layers for Mach numbers less than 9. The intensity of rms density fluctuations in the free stream is similar in magnitude to pressure fluctuations in high Mach number flows. Spectrum analyses of the measured fluctuating density through the shear layer indicate significant fluctuation energy at the lower frequencies (0.2 to 5 kHZ) which correspond to large-scale disturbances in the high-velocity region of the shear layer.

Harvey, W. P.↗
DOE OSTI2023

Microstructural Insights into Performance Loss of High-Voltage Spinel Cathodes for Lithium-ion Batteries

Spinel-structured LiNi x Mn 2-x O 4 (LNMO), with low-cost earth-abundant constituents, is a promising high-voltage cathode material for lithium-ion batteries. Even though extensive electrochemical investigations have been conducted on these materials, few studies have explored correlations between their loss in performance and associated changes in microstructure. Here, down to the atomic scale, the structural evolution of these materials is investigated upon the progressive cycling of lithium-ion cells. Transgranular cracking is revealed to be a key feature during cycling; this cracking is initiated at the particle surface and leads to the penetration of electrolytes along the crack path, thereby increasing particle exposure to the electrolyte. The lattice structure on the crack surface shows spatial variances, featuring a top layer of rock-salt, a sublayer of a Mn 3 O 4 -like arrangement, and then a mixed-cation region adjacent to the bulk lattice. The transgranular cracking, along with the emergence of local lattice distortion, becomes more evident with extended cycling. Further, phase transformation at primary particle surfaces and void formation through vacancy condensation is found in the cycled samples. All these features collectively contribute to the performance degradation of the battery cells during electrochemical cycling.

25 ENERGY STORAGE↗
DOE OSTI2026

Polynomial-time preparation of low-temperature Gibbs states for two-dimensional toric code

In this work, we propose a polynomial-time algorithm for preparing the Gibbs state of the two-dimensional toric code Hamiltonian at any temperature, starting from any initial state, significantly improving upon prior estimates that suggested exponential scaling with inverse temperature. We prove that fast mixing at low temperature for the two-dimensional toric code can be achieved by augmenting local jump operators with simple global jump operators, which enable efficient transitions between logical sectors. To establish tight lower bounds on the spectral gap, we introduce a new reduction method that eventually maps the problem to estimating the spectral gap of a perturbed graph Laplacian on a stair graph. Our proof also shows that the Lindblad dynamics with a digitally implemented low-temperature local Davies generator is able to efficiently drive the quantum state toward the ground state manifold.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Interaction of ultra relativistic ${e}^{-}{e}^{+}$ fireball beam with plasma

Ab initio simulations of the propagation in a plasma of a soon to be available relativistic electron–positron beam or fireball beam provide an effective mean for the study of microphysics relevant to astrophysical scenarios. We show that the current filamentation instability associated with some of these scenarios reaches saturation after only 10 cm of propagation in a typical laboratory plasma with a density~1017 cm-3 . The different regimes of the instability, from the purely transverse to the mixed mode filamentation, can be accessed by varying the background plasma density. The instability generates large local plasma gradients, intense transverse magnetic fields, and enhanced emission of radiation. We suggest that these effects may be observed experimentally for the first time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Rheo–Electric Foundations and Engineering of Carbon Slurry Flow Electrodes

Flowable carbon slurry electrodes promise continuous, scalable electrochemical desalination and energy storage when their rheology (flow and stability) and electronic connectivity are jointly optimized. This report integrates six complementary thrusts that we executed under the Laboratory Directed Research and Development (LDRD) project: (i) a fast, ex situ, centrifuge-compatible method to quantify pellet (packed slurry) electronic conductivity, with a validated cell constant (“shape factor”) and quantitative structure–property insights for carbon mixtures; (ii) a controlled circulation study showing that peristaltic pumping can irreversibly alter particle size and morphology over laboratory-relevant durations; (iii) development of a miniature jet pump that preserves particle integrity while achieving entrainment ratios of 2–4 at practical flow rates; (iv) a comprehensive mapping of how a representative non-ionic surfactant (Tween 20) collapses the carbon gel network, separating network-percolation losses from intrinsic particle contact resistance; (v) in-situ visualization revealing how gravitational settling and flow-driven mixing compete to control charge transport, with dynamic bed layers preventing saturation while achieving 30-fold local concentration enhancement; and (vi) a simple, widely adoptable fabrication route to structured, gas-nitrided titanium nitride (TiN) titanium current collectors that dramatically lower interfacial losses and enable geometry-driven performance gains. Together, these results provide a coherent toolchain and design rules to accelerate formulation screening, de-risk device prototyping, and standardize characterization for carbon slurry electrodes in flow-electrode capacitive deionization (FCDI), electrochemical flow capacitor (EFC), and related systems.

25 ENERGY STORAGE↗
NASA NTRS1975

Application of satellite remote-sensing data to land selection and management

A pilot project conducted to demonstrate the utility and economy of satellite data in preparing thematic maps of a wilderness area emphasizing those resources of greatest interest to the potential owner is described. Vegetation maps delineating potential commercial timber and maps of suggested mineral prospecting areas of seven scattered regions were prepared by interpretation of LANDSAT images, coupled with a limited amount of ground truth. Images acquired both in winter and summer seasons were registered to township maps and used in making interpretations of the areal extent of commercial timber potentials. The amount of snow cover visible through the forest canopies was found to be a useful indicator of timber potentials. Identification was made of characteristic topographic features which are typical of flood plain deposits or of the well developed trellis drainage patterns which can indicate the strike of structural grain of underlying Cretaceous sedimentary rocks. The presence of igneous and mixed igneous and metamorphic rocks were indicated by combinations of spectral differences and anomalous interruptions of local radial drainage patterns.

Stringer, W. J.↗
NASA NTRS1986

Laser heterodyne system for obtaining height profiles of minor species in the atmosphere

An infrared laser heterodyne system for obtaining height profiles of minor constituents of the atmosphere was developed and erected. A brief discription of the system is given. The system consists of a tunable CO2 waveguide laser in the 9 to 11 micrometer band, that is used as a local oscillator and a heliostat that follows the sun and brings in solar radiation, that is mixed with the laser beam in a high speed liquid nitrogen cooled mercury cadmium telluride detector. The detected signal is analysed in a RF spectrum analyser that allows tracing absorption line profiles. Absorption lines of a number of minor constituents in the troposphere and stratosphere, such as O3, NH3, H2O, SO2, ClO, N2O, are in the 9 to 11 micrometer band and overlap with that of CO2 laser range. The experimental system has been made operational and trial observations taken. Current measurements are limited to ozone height profiles. Results are presented.

Jain, S. L.↗
NASA NTRS1988

Shock-induced melting and shear banding in single-crystal NaCl

Radiative color temperatures were measured in single-crystal sodium chloride under shock compression parallel to 100-line orientation over a pressure range from 20 to 35 GPa. Color temperatures from 2500 to 4500 K and emittances from 0.003 to 0.3 were determined by fitting observed spectra (450-850 nm) to the Planck greybody radiation law. These data support a heterogeneous shock deformation model of shocked halite in this pressure range. A 2500-K temperature rise, of unknown origin, is observed over the B1-B2 mixed phase region from 25 to 30 GPa. Assuming that shock deformation occurs via yielding in localized planar zones which become melt and the melting temperature at high pressure controls the temperature, it is inferred that the temperature of the B2 fusion curve from 30 to 35 GPa rises from 3200 to 3300 K. The B1-B2-liquid triple point is predicted to be at a temperature of 2250 K and 23.5 GPa.

Schmitt, Douglas R.↗