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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

AbacusSummit Halo Light Cone Catalogs

This is a set of halo light cone catalogs from the AbacusSummit suite of cosmological N-body simulations (abacussummit.readthedocs.io/). They are a value-added data product provided by post-processing the simulation output. The main application of the halo light cone catalogs is the construction of realistic mock galaxy catalogues and weak lensing maps on the sky. The algorithm (described in Hadzhiyska et al. 2021) associates CompaSO halos from 29 redshift epochs spanning z = 0.1-2.5 with their particles at the time of light-cone crossing. It then records the halo and particle information into an easily accessible product, which can be read with the CompaSO reader. The 25 base resolution boxes at fiducial cosmology have a halo light cone catalog covering an octant of the sky to z approx 0.8 and about 2000 deg2 extending to z approx 2.4. The huge boxes provide light cone information of the full sky until z approx 2.18 and extend further towards the corners of the box (available until z = 2.25). Galaxy mock catalogs on the sky can be generated easily though the AbacusHOD script providing an extended HOD framework (see Yuan et al. 2021, for details), which has been modified to work with the halo light cone catalogs. The available tracers are luminous red galaxies (LRGs), emission-line galaxies (ELGs), and quasi-stellar objects (QSOs).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

NPP Simulators for Coupled Thermal and Electric Power Dispatch

The Light Water Reactor Sustainability (LWRS) program within the United States Department of Energy supports extending the operation of the U.S. commercial nuclear power plant (NPP) fleet. Within the LWRS program, the Flexible Plant Operation and Generation (FPOG) Pathway works to diversify the revenue streams of light water reactors (LWRs) by opening opportunities for the co-generation of non-electric products in addition to supplying electrical power to the grid. Recent events have added greater motivation to these efforts. For example, the recent Inflation Reduction Act (IRA) passed by the U.S. federal government offers substantial tax incentives for producing clean hydrogen, the technology readiness level of dispatchable and high-efficiency hydrogen production has dramatically increased in a short time, and societal response to world climate change is driving a transition away from fossil fuels. Producing hydrogen with maximum efficiency using nuclear power requires dispatching both electrical and thermal power from the nuclear plant to the hydrogen plant, so testing concepts of operations for combined electrical and thermal power dispatch (TPD) from an NNP to a hydrogen plant is of interest. This report documents achievement of the Light Water Reactor Sustainability (LWRS) program milestone “Install and demonstrate a vendor-developed simulator on the Human Systems Simulation Laboratory (HSS) for dispatch of LWR electrical power to a close-coupled electrolysis plant” with a due date of Dec. 22, 2022. Several factors provide motivation for this effort. Coupling the power generation deck of a nuclear power plant to a hydrogen production facility introduces new possibilities for operational transients that must be addressed. In particular, the performance of the integrated system during startup and shutdown of the hydrogen production facility, as well as offnormal conditions, need to be evaluated to ensure there are no adverse effects on the operation of the existing NPP. The concept of operations involving the NPP, the hydrogen plant, and the electric power grid must be tested using NPP simulators and operating procedures that have been modified for TPD operations. These tests must also include dynamic simulations of the coupled tertiary thermal and electric loads as well as coordinated activities with NPP operators, tertiary load operators and grid power coordinators. The report summarizes progress in developing and testing full-scope NPP simulators at the HSSL, including a generic BWR simulator from GSE Systems, Inc. and generic PWR simulator from Westinghouse. In the case of the TPD-GBWR Simulator from GSE Systems, Inc., a BWR is thermally coupled to a high temperature electrolysis (HTE) plant that produces hydrogen and oxygen from de-ionized water. The hydrogen plant is not explicitly simulated but only included as a transient heat sink. A thermal power dispatch (TPD) system transfers heat between the steam systems at the BWR and the hydrogen plant. Operational results from two versions of the modified simulator are presented. The first version uses synthetic oil as a heat transfer fluid in a closed delivery heat loop (DHL) that generates steam at the hydrogen plant. The second version uses steam as the heat transfer fluid in a delivery steam line (DSL) to provide steam to the hydrogen plant. For both versions, the estimated thermal power delivery distance is approximately one kilometer. The amount of thermal power dispatched in the simulators is 15% of the total reactor thermal power such that the simulators provide a tool to study the feasibility of coupling a BWR to industrial processes that benefit from a combination electrical and thermal power dispatch. Ongoing work within a CRADA is also developing a full-scope PWR simulator provided by Westinghouse for both thermal and electric power coupling. This simulator is based on a PWR plant with two three-loop Westinghouse reactors. Westinghouse PWRs are sufficiently similar that a simulator of a three-loop reactor is an appropriate representation for two-loop and four-loop PWR reactors. The three-loop simulator will initially be modified for close-coupling to a 100 MW HTE hydrogen production plant that will require approximately 25 MW of thermal power while operating at its maximum rated capacity. The simulator testing will include full coupling to dynamic simulations of a hydrogen production plant and a representative bulk electric grid. The simulator provided by Westinghouse is similar to the GPWR simulator that INL has already obtained from GSE Systems but has a few important added benefits. First, the Westinghouse simulator is based on digital controls and has additional screens that can be called up to show parameter trends to assist operators in decision-making. The Westinghouse simulator also has upgrades to the controls and hardware representations, such as valve actuators, that make it more realistic and flexible in terms of accurately sim

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Simulations of coherent scattering experiments at storage ring synchrotron radiation sources in the hard x-ray range

Detailed simulations of experiments carried out at modern light sources are directly related to the most efficient and productive use of these facilities for research in multiple branches of science and technology. The “Synchrotron Radiation Workshop” computer code with its Python interface, and Sirepo web-browser-based graphical user interface, currently supports physical optics simulations of coherent X-ray scattering and imaging experiments on user-defined virtual samples. We present examples of simulations of coherent scattering experiments that are typically performed at the Coherent Hard X-ray beamline at Brookhaven National Laboratory’s (BNL) National Synchrotron Light Source II. We also present several comparisons of the simulations with the results of actual coherent X-ray scattering experiments with nano-fabricated test samples produced at BNL’s Center for Functional Nanomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The force explosion condition is consistent with spherically symmetric CCSN explosions

ABSTRACT One of the major challenges in core-collapse supernova (CCSN) theory is to predict which stars explode and which collapse to black holes. The analytic force explosion condition (FEC) shows promise in predicting which stars explode in that the FEC is consistent with CCSN simulations that use the light-bulb approximation for neutrino heating and cooling. In this follow-up manuscript, we take the next step and show that the FEC is consistent with the explosion condition when using actual neutrino transport in gr1d simulations. Since most 1D simulations do not explode, to facilitate this test, we enhance the heating efficiency within the gain region. To compare the analytic FEC and radiation-hydrodynamic simulations, this manuscript also presents a practical translation of the physical parameters. For example: we replace the neutrino power deposited in the gain region, Lντg, with the net neutrino heating in the gain region; rather than assuming that $\dot{M}$ is the same everywhere, we calculate $\dot{M}$ within the gain region; and we use the neutrino opacity at the gain radius. With small, yet practical modifications, we show that the FEC predicts the explosion conditions in spherically symmetric CCSN simulations that use neutrino transport.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1981

Determination of crash test pulses and their application to aircraft seat analysis

Deceleration time histories (crash pulses) from a series of twelve light aircraft crash tests conducted at NASA Langley Research Center (LaRC) were analyzed to provide data for seat and airframe design for crashworthiness. Two vertical drop tests at 12.8 m/s (42 ft/s) and 36 G peak deceleration (simulating one of the vertical light aircraft crash pulses) were made using an energy absorbing light aircraft seat prototype. Vertical pelvis acceleration measured in a 50 percentile dummy in the energy absorbing seat were found to be 45% lower than those obtained from the same dummy in a typical light aircraft seat. A hybrid mathematical seat-occupant model was developed using the DYCAST nonlinear finite element computer code and was used to analyze a vertical drop test of the energy absorbing seat. Seat and occupant accelerations predicted by the DYCAST model compared quite favorably with experimental values.

Alfaro-Bou, E.↗
DOE OSTI2024

SCALE 6.3 Validation: Reactor Physics

This study was performed to validate the SCALE/Polaris v6.3.0–PARCS v3.4.2 code procedure with the ENDF/B-VII.1 AMPX 56-group library for light-water reactor analysis by comparing the simulated results with the measured data for critical experiments and operating light-water reactors. Uncertainties of the SCALE/Polaris–PARCS code procedure for light-water reactor physics analysis were evaluated in the validation for key nuclear parameters such as reactivity, control bank work, temperature coefficients, and pin and assembly power peaking factors. In addition, the SCALE/TRITON v6.3.1 procedure with the ENDF/B-VII.1 and VIII.0 252-group and continuous-energy cross sections was validated for non-lightwater reactors including the HTR-10 reactor, the High-Temperature Test Reactor, the Molten Salt Reactor Experiment, and the Experimental Breeder Reactor II.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Multifrequency General Relativistic Radiation Magnetohydrodynamic Simulations of Thin Disks

We present a set of six general relativistic, multifrequency, radiation magnetohydrodynamic simulations of thin accretion disks with different target mass accretion rates around black holes with spins ranging from nonrotating to rapidly spinning. The simulations use the M 1 closure scheme with 12 independent frequency (or energy) bins ranging logarithmically from 5 × 10− 3 keV to 5 × 10 3 keV. The multifrequency capability allows us to generate crude spectra and energy-dependent light curves directly from the simulations without a need for special postprocessing. While we generally find roughly thermal spectra with peaks around 1–4 keV, our high-spin cases showed harder-than-expected tails for the soft or thermally dominant state. This leads to radiative efficiencies that are up to five times higher than expected for a Novikov–Thorne disk at the same spin. We attribute these high efficiencies to the high-energy, coronal emission. These coronae mostly occupy the effectively optically thin regions near the inner edges of the disks and also cover or sandwich the inner ∼15GM/c 2 of the disks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Mesoscale Modeling of the Effects of Accelerated Burnup on UO2 Microstructural Evolution

Accelerating the nuclear fuel qualification process will rely on some combination of advanced modeling and simulation techniques with accelerated irradiation testing and separate effects experiments to enable the development of new fuel concepts in a shorter time frame. One of the key challenges to successfully leveraging accelerated irradiation tests will be understanding the artifacts that may be introduced with accelerated accumulation of dose and/or burnup. This work presents phase field (MARMOT) simulations of the evolution of representative 2D UO2 microstructures up to 40 MWd/kgU. Simulations were performed under both commercial light water reactor fuel conditions as well as those that would be expected for highly accelerated (~10x) burnup conditions similar to those used in the MiniFuel irradiations in Oak Ridge National Laboratory’s High Flux Isotope Reactor. The phase field model was coupled with a discrete nucleation algorithm to model re- structuring at high burnup. The effect of the different fission rates in both microstructures was investigated at two temperatures: 650?C and 800?C. The lower temperature simulations both showed an onset of restructuring at nearly 60 MWd/kgU. More extensive restructuring was obtained in the MiniFuel microstructure compared with that of the PWR fuel. At 800?C, no restructuring was obtained as a result of the thermally activated diffusion of Xe atoms and U vacancies to fission gas bubbles, which reduces the nucleation driving force. These results highlight the importance of using modeling and simulation tools to inform the environmental conditions during targeted accelerated irradiation tests to extract the most useful fuel performance data.

accelerated fuel qualification, Phase Field, Restr↗
DOE OSTI2022

Diffuse back-illumination temperature imaging (DBI-TI), a novel soot thermometry technique

To meet stringent emissions regulations on soot emissions, it is critical to further advance the fundamental understanding of in-cylinder soot formation and oxidation processes. Among several optical techniques for soot quantification, diffuse back-illumination extinction imaging (DBI-EI) has recently gained traction mainly due to its ability to compensate for beam steering, which if not addressed, can cause unacceptably high measurement uncertainty. Until now, DBI-EI has only been used to measure the amount of soot along the line of sight, and here, we extend the capabilities of a DBI-EI setup to also measure in-cylinder soot temperature. This proof of concept of diffuse back-illumination temperature imaging (DBI-TI) as a soot thermometry technique is presented by implementing DBI-TI in a single cylinder, heavy-duty, optical diesel engine to provide 2-D line-of-sight integrated soot temperature maps. The potential of DBI-TI to be an accurate thermometry technique for use in optical engines is analyzed. The achievable accuracy is due in part to simultaneous measurement of the soot extinction, which circumvents the uncertainty in dispersion coefficients that depend on the optical properties of soot and the wavelength of light utilized. Analysis shows that DBI-TI provides temperature estimates that are closer to the mass-averaged soot temperature when compared to other thermometry techniques that are more sensitive to soot temperature closer to the detector. Furthermore, uncertainty analysis and Monte Carlo (MC) simulations provide estimates of the temperature measurement errors associated with this technique. The MC simulations reveal that for the light intensities and optical densities encountered in these experiments, the accuracy of the DBI-TI technique is comparable or even better than other established optical thermometry techniques. Thus, DBI-TI promises to be an easily implementable extension to the existing DBI-EI technique, thereby extending its ability to provide comprehensive line-of-sight integrated information on soot.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Performance of a ton-scale water-based liquid scintillator detector

This study reports the performance and light yield of 1% concentration water-based liquid scintillator (WbLS) deployed in a 1000-liter detector. A light yield of 99± 15 photons per MeV is determined by comparing data with simulation. This result aligns with our previous light yield determination using smaller detectors, thus establishing a solid foundation for the ongoing development and deployment of WbLS in larger-scale detectors. In conclusion, the feasibility of in situ preparation and the stability of light yield in WbLS are demonstrated, reinforcing its suitability for long-term experimental endeavors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Comparing the influence of cation order and composition in simulated Zn(Sn, Ge)N 2 on structure, elastic moduli, and polarization for solid state lighting

Alloying and site ordering play complementary roles in dictating a material’s properties. However, deconvolving the impacts of these separate phenomena can be challenging. In this work, we simulate structures of Zn(Sn,Ge)N 2 with varied Sn content and site ordering to determine the impacts of order and composition on structural and electronic properties. We assess the formation enthalpy, lattice parameters, elastic constants, spontaneous polarization, and piezoelectric coefficients. In mostly disordered structures (order parameters ranging from 0.2 to 0.4), the formation enthalpy exhibits local extrema as a function of the order parameter, deviating from the more linear trends seen in both fully disordered and fully ordered systems. This anomalous deviation from the otherwise linear trend in formation enthalpy with order manifests in each of the other properties calculated. This range of order parameters of interest may be caused by a transition in the ordering of the quaternary material similar to phase changes seen in ternary compounds but stretched over a region inclduing 20% of the order parameter range. Most parameters calculated are more sensitive to order than to composition in the limited composition range tested; however, the lattice parameter c, piezoelectric coefficient e 33 , and elastic moduli C 12 , C 13 , and C 23 are more sensitive to composition. Of the properties compared, the piezoelectric coefficients are influenced most significantly by changes in both the composition and order parameter. Lattice parameters undergo the smallest changes with order and composition, but these small differences appear to impart large trends in the other properties. Better understanding the effects of disorder and group IV alloying in Zn(Sn,Ge)N 2 allows for more accurate modeling of characteristics of this material system for solid state lighting and other applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Intercomparison of Thermal Regime Algorithms in 1-D Lake Models

Lakes are an important component of the global weather and climate system, but the modeling of their thermal regimes has shown large uncertainties due to the highly diverse lake properties and model configurations. Here we evaluate the algorithms of four key lake thermal processes including turbulent heat fluxes, wind-driven mixing, light extinction, and snow density, using a highly diverse lake dataset provided by the Inter-sectoral Impact Model Intercomparison Project (ISIMIP) 2a lake sector. Algorithm codes are configured and run separately within the same parent model to rule out any interference from factors apart from the algorithms examined. Evaluations are based on both simulation accuracy and recalibration complexity for application to global lakes. For turbulent heat fluxes, the non-Monin-Obukhov similarity (MOS) based, more simplified algorithms perform better in predicting lake epilimnion temperatures and achieve high convergence in the values of the calibrated parameters. For wind-driven mixing, a two-algorithm strategy considering lake shape and season is suggested with the regular mixing algorithm used for spring and earlier summer and the mixing-enhanced algorithm for summer steady stratification and fall overturn periods. There are no evident differences in the simulated thermocline depths using different light extinction algorithms or the observation. Finally, for lake ice phenology, a constant snow density at around 110 kg m-3 is found to be sufficient for most northern lakes while the Arctic lakes require a higher value. Our study provides highly practical guides for improving 1-D lake models and feasible parameterization strategies to better simulate global lake thermal regimes.

58 GEOSCIENCES↗
DOE OSTI2019

Artificial inflation of apparent photocatalytic activity induced by catalyst-mass-normalization and a method to fairly compare heterojunction systems

Despite the possibility of using photocatalysts to sustainably produce fuels and chemicals, overall reaction rates remain prohibitively low, largely limited by recombination of photogenerated electrons and holes. Past research on suppressing this recombination by the addition of co-catalysts or by the formation of heterojunctions has led to claims that rates show enhancement compared to the single-component, junction-free counterparts. Yet, comparing these systems is rendered difficult by the common practice of reporting rates on a catalyst mass basis. Using a model system of TiO 2 and g-C 3 N 4 with Pt, here we show that normalizing photocatalytic rates by mass fails to provide mechanistic insight and can also artificially inflate the apparent performance of heterojunction systems—in our case, overestimating the enhancement by 24 ± 7%. This effect is caused by the nonlinearity of light absorption with respect to the concentration of each light-absorbing component, according to Beer's law. This factor needs to be taken into account to verify if improvements in absolute activity correspond to intrinsic activity. To this end, an approach is introduced for approximating a system quantum yield from measured reaction rates under simulated solar or otherwise polychromatic light. A sensitivity analysis provides guidelines for reducing the artificial enhancement introduced by mass-normalization for any heterojunction system.

14 SOLAR ENERGY↗
DOE OSTI2021

Monte carlo simulations and experiments of all-silica zeolite LTA assembly combining structure directing agents that match cage sizes

In this work, we investigated the influence of organic structure-directing agents (OSDAs) on the formation rates of all-silica zeolite LTA using both simulations and experiments, to shed light on the crystallization process. We compared syntheses using one OSDA with a diameter close to the size of the large cavity in LTA, and two OSDAs of diameters matching the sizes of both the small and large LTA cavities. Reaction-ensemble Monte Carlo (RxMC) simulations predict a speed up of LTA formation using two OSDAs matching the LTA pore sizes; this qualitative result is confirmed by experimental studies of crystallization kinetics, which find a speedup in all-silica LTA crystallization of a factor of 3. Analyses of simulated rings and their Si–O–Si angular energies during RxMC crystallizations show that all ring sizes in the faster crystallization exhibit lower angular energies, on average, than in the slower crystallization, explaining the origin of the speedup through packing effects.

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

Benchmarking fast-neutron response of 7 Li-enriched C 7 LYC scintillators: Simulations and experiment

New insights into the fast neutron response of 7 Li-enriched C 7 LYC scintillators have been obtained through detailed Geant4 simulations of 35 Cl(n,p) and 35 Cl(n, α) reactions that are primarily responsible for the fast neutron response of C 7 LYC. The light output of a 1” x1” C 7 LYC detector was simulated using the Birks equation for light quenching in scintillators. The simulations were benchmarked against neutron scattering data from a 12 C target obtained with a white neutron beam at the Los Alamos LANSCE facility and fourteen 1”x1” C 7 LYC detectors. Incident neutron energies extracted from time-of-flight measurements, and appropriate recoil corrections for the different detector angles were used to map the response of C 7 LYC to mono-energetic neutrons. Resonances in the 35 Cl(n,p) reaction cross-section below 3 MeV incident neutron energy were directly observed in C 7 LYC. The experimental data and simulations are compared with ENDF databases, as well as recent direct cross-section measurements of neutrons scattered from a 35 Cl target. In conclusion, the results suggest a scrutiny of the 35 Cl(n,p) and 35 Cl(n, α) cross sections at low energy in the ENDF library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Dark Energy Survey Year 3 Results: Galaxy mock catalogs for BAO analysis

The calibration and validation of scientific analysis in simulations is a fundamental tool to ensure unbiased and robust results in observational cosmology. In particular, mock galaxy catalogs are a crucial resource to achieve these goals in the measurement of baryon acoustic oscillation (BAO) in the clustering of galaxies. Here we present a set of 1952 galaxy mock catalogs designed to mimic the Dark Energy Survey Year 3 BAO sample over its full photometric redshift range 0.6 < zphoto < 1.1. The mocks are based upon 488 ICE-COLA fast N-body simulations of full-sky light cones and were created by populating halos with galaxies, using a hybrid halo occupation distribution – halo abundance matching model. This model has ten free parameters, which were determined, for the first time, using an automatic likelihood minimization procedure. We also introduced a novel technique to assign photometric redshift for simulated galaxies, following a two-dimensional probability distribution with VIMOS Public Extragalactic Redshift Survey data. The calibration was designed to match the observed abundance of galaxies as a function of photometric redshift, the distribution of photometric redshift errors, and the clustering amplitude on scales smaller than those used for BAO measurements. An exhaustive analysis was done to ensure that the mocks reproduce the input properties. Finally, mocks were tested by comparing the angular correlation function w(θ), angular power spectrum Cℓ, and projected clustering ξp(r⊥) to theoretical predictions and data. The impact of volume replication in the estimate of the covariance is also investigated. The success in accurately reproducing the photometric redshift uncertainties and the galaxy clustering as a function of redshift render this mock creation pipeline as a benchmark for future analyses of photometric galaxy surveys.Key words: catalogs / large-scale structure of Universe / galaxies: distances and redshifts / Galaxy: halo / methods: numerical

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Minimizing Electric Lighting Use With LASSI Lighting Controls in Controlled Environment Agriculture

The majority of energy use in controlled environment agriculture is typically from electric lighting. Certain lighting controls can help minimize the energy required in these operations. This analysis simulates a greenhouse with different types of lighting controls in different U.S. climates to explore the effects of the lighting controls on energy use.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗