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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The influence of cloud cover on the reliability of satellite-based solar resource data

Satellite-based solar resource data are often developed and validated by using binary cloudiness categories: clear sky or overcast cloudy sky. To investigate the reliability of solar resource data in partially cloudy conditions, we estimate cloud fraction using two distinct algorithms: a physical retrieval model using surface observed global horizontal irradiance (GHI) and direct normal irradiance (DNI) and a temporal average of cloud mask data estimated by the observed DNI. Our analysis reveals a significant presence of scattered clouds, broken clouds, and mismatches between satellite- and surface-based cloud data at 17 surface sites across the contiguous United States, though confidently clear and cloudy conditions collectively account for more than 70 % of the data. Solar radiation is computed using the National Solar Radiation Database (NSRDB) algorithm and validated using surface observations. Here, our findings suggest that, in the presence of scattered clouds, NSRDB data for clear-sky conditions can be subject to significant overestimation. In cloudy-sky conditions classified by satellite data, DNI computed by the Fast All-sky Radiation Model for Solar applications with DNI (FARMS-DNI) can be underestimated when limited clouds are detected by surface observations. The bias observed in several cloudiness categories indicates that the NSRDB is exceptionally accurate in confidently clear conditions. However, clear-sky conditions with scattered clouds and mismatched cloud data contribute significantly to the overall uncertainties in the NSRDB. Therefore, future improvements in solar resource data should involve development and implementation of satellite-derived cloud fraction and should consider a novel radiative transfer model accounting for amplified cloud reflection. The evaluation within cloudiness categories also provides a physical rationale for the superior performance of FARMS-DNI compared to the Direct Insolation Simulation Code (DISC) in both cloudy-sky and all-sky conditions.

14 SOLAR ENERGY↗
DOE OSTI2022

MECHANISTIC MULTIPHYSICS MODELING OF CLADDING RUPTURE IN NUCLEAR FUEL RODS DURING LOSS-OF-COOLANT ACCIDENT CONDITIONS

The Loss of Coolant Accident (LOCA) is a design basis accident that is included as part of the safety analysis of nuclear power plants. As the nuclear industry desires to increase the cycle length and discharge burnup of existing nuclear power plants they must demonstrate safe operation during a LOCA on high burnup fuel. During a LOCA transient on high burnup fuel rods, the rods may undergo a process known as fuel fragmentation, relocation, and dispersal (FFRD). To permit dispersal, the cladding encapsulating the fuel must rupture with an opening size large enough to allow the fragmented fuel particles to release. Current licensing tools used by industry and the United States Nuclear Regulatory Commission are limited in geometric fidelity and materials that can be analyzed. These simulation tools generally employ a quasi-two-dimensional (1.5D or Layered1D) or 2D-RZ axisymmetric geometric representations exclusively. While a valid approach under some instances, there are times when important physics have an asymmetric behavior in the fuel rod. Examples include fuel fragmentation, thermal-hydraulic boundary conditions, and cladding rupture, all of which are important for LOCA analysis. As industry pursues burnup extensions it must be demonstrated that fuel dispersal can be mitigated or eliminated. To do this, an understanding of the rupture opening after cladding failure is required. This work presents the development of a model for predicting the size and location of the rupture opening in failed fuel rods during LOCA conditions using advanced modeling and simulation tools. In order to supply the rupture model with appropriate boundary conditions, improvements to fuel fragmentation, axial relocation and oxidation modeling were required. First, the eXtended Finite Element Method (XFEM) is used to mechanistically predict the number of fuel fragments that form due to material strength randomization, criteria for strength randomization, mesh density, power ramping rates and irradiation effects. These predictions with associated uncertainty were compared to empirical correlations developed for UO2 verifying that they can be used with increased confidence in subsequent axial relocation analyses. Secondly, a new first-of-its-kind Layered2D computational framework was developed that provides the ability to apply azimuthally varying boundary conditions while providing discrete layers to track fuel movement during the LOCA. An existing fuel axial relocation model developed for Layered1D was extended to work within the Layered2D framework. A large sensitivity study was performed on the initial version of the model to identify modeling parameters of particular importance, with the emissivity used for radiation after blowdown being the primary source of uncertainty. Then, a simplistic approach to incorporate mechanical degradation of the cladding due to oxidation was also developed to investigate the impact of reduced cladding thickness on predictions of the time to failure of cladding tubes. It was found that the cladding will typically rupture prior to a reduction in thickness that is sufficient to impact the rupture behavior. A model was then developed for predicting cladding rupture that transfers the cladding surface temperatures, rod internal and external pressures, fast neutron fluence, and fast neutron flux from a more detailed Layered1D, Layered2D, or 2D-RZ analysis to a 3D cladding only analysis. Comparisons of the rupture model to a few experiments indicate reasonable predictions. The rupture model was then applied to two accident tolerant fuel concepts (FeCrAl and Cr-coated Zircaloy) where it predicted that both ATF concepts would have smaller rupture openings and delayed rupture times than the standard Zircaloy-4 cladding material under identical loading conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1980

Investigation of multiple scattering effects in aerosols

The results are presented of investigations on the various aspects of multiple scattering effects on visible and infrared laser beams transversing dense fog oil aerosols contained in a chamber (4' x 4' x 9'). The report briefly describes: (1) the experimental details and measurements; (2) analytical representation of the aerosol size distribution data by two analytical models (the regularized power law distribution and the inverse modified gamma distribution); (3) retrieval of aerosol size distributions from multispectral optical depth measurements by two methods (the two and three parameter fast table search methods and the nonlinear least squares method); (4) modeling of the effects of aerosol microphysical (coagulation and evaporation) and dynamical processes (gravitational settling) on the temporal behavior of aerosol size distribution, and hence on the extinction of four laser beams with wavelengths 0.44, 0.6328, 1.15, and 3.39 micrometers; and (5) the exact and approximate formulations for four methods for computing the effects of multiple scattering on the transmittance of laser beams in dense aerosols, all of which are based on the solution of the radiative transfer equation under the small angle approximation.

Deepak, A.↗
NASA NTRS2000

A New Fast Algorithm to Completely Account for Non-Lambertian Surface Reflection of The Earth

Surface bidirectional reflectance distribution function (BRDF) influences not only radiance just about the surface, but that emerging from the top of the atmosphere (TOA). In this study we propose a new, fast and accurate, algorithm CASBIR (correction for anisotropic surface bidirectional reflection) to account for such influences on radiance measured above TOA. This new algorithm is based on a 4-stream theory that separates the radiation field into direct and diffuse components in both upwelling and downwelling directions. This is important because the direct component accounts for a substantial portion of incident radiation under a clear sky, and the BRDF effect is strongest in the reflection of the direct radiation reaching the surface. The model is validated by comparison with a full-scale, vector radiation transfer model for the atmosphere-surface system. The result demonstrates that CASBIR performs very well (with overall relative difference of less than one percent) for all solar and viewing zenith and azimuth angles considered in wavelengths from ultraviolet to near-infrared over three typical, but very different surface types. Application of this algorithm includes both accounting for non-Lambertian surface scattering on the emergent radiation above TOA and a potential approach for surface BRDF retrieval from satellite measured radiance.

Qin, Wen-Han↗
DOE OSTI2024

Decoupling excitons from high-frequency vibrations in organic molecules

The coupling of excitons in π-conjugated molecules to high-frequency vibrational modes, particularly carbon–carbon stretch modes (1,000–1,600 cm -1 ) has been thought to be unavoidable. These high-frequency modes accelerate non-radiative losses and limit the performance of light-emitting diodes, fluorescent biomarkers and photovoltaic devices. Here, by combining broadband impulsive vibrational spectroscopy, first-principles modelling and synthetic chemistry, we explore exciton–vibration coupling in a range of π-conjugated molecules. We uncover two design rules that decouple excitons from high-frequency vibrations. First, when the exciton wavefunction has a substantial charge-transfer character with spatially disjoint electron and hole densities, we find that high-frequency modes can be localized to either the donor or acceptor moiety, so that they do not significantly perturb the exciton energy or its spatial distribution. Second, it is possible to select materials such that the participating molecular orbitals have a symmetry-imposed non-bonding character and are, thus, decoupled from the high-frequency vibrational modes that modulate the π-bond order. We exemplify both these design rules by creating a series of spin radical systems that have very efficient near-infrared emission (680–800 nm) from charge-transfer excitons. We show that these systems have substantial coupling to vibrational modes only below 250 cm -1 , frequencies that are too low to allow fast non-radiative decay. This enables non-radiative decay rates to be suppressed by nearly two orders of magnitude in comparison to π-conjugated molecules with similar bandgaps. Our results show that losses due to coupling to high-frequency modes need not be a fundamental property of these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

New H2O–H2O collisional rate coefficients for cometary applications

ABSTRACT We re-introduce a semiclassical methodology based on theories developed for the determination of broadening coefficients. We show that this simple and extremely fast methodology provides results that are in good agreement with results obtained using the more sophisticate MQCT approach. This semiclassical methodology could be an alternative approach which allows to provide large sets of collisional data for very complex molecular systems. It saves time both on the determination of potential energy surfaces and on the collisional dynamical calculations. In addition, this paper provides more complete sets of rotational de-excitation cross-sections and rate coefficients of H2O perturbed by a thermal average of water molecules. Those data can be used in the radiative transfer modelling of cometary atmospheres.

Boursier, C.↗
DOE OSTI2022

Deep modelling of plasma and neutral fluctuations from gas puff turbulence imaging

The role of turbulence in setting boundary plasma conditions is presently a key uncertainty in projecting to fusion energy reactors. To robustly diagnose edge turbulence, we develop and demonstrate a technique to translate brightness measurements of HeI line radiation into local plasma fluctuations via a novel integrated deep learning framework that combines neutral transport physics and collisional radiative theory for the $3^3 D - 2^3 P$ transition in atomic helium. The tenets for experimental validity are reviewed, illustrating that this turbulence analysis for ionized gases is transferable to both magnetized and unmagnetized environments with arbitrary geometries. Based upon fast camera data on the Alcator C-Mod tokamak, we present the first 2-dimensional time-dependent experimental measurements of the turbulent electron density, electron temperature, and neutral density revealing shadowing effects in a fusion plasma using a single spectral line.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2016

Simulation of Satellite, Airborne and Terrestrial LiDAR with DART (I):Waveform Simulation with Quasi-Monte Carlo Ray Tracing

Light Detection And Ranging (LiDAR) provides unique data on the 3-D structure of atmosphere constituents and the Earth's surface. Simulating LiDAR returns for different laser technologies and Earth scenes is fundamental for evaluating and interpreting signal and noise in LiDAR data. Different types of models are capable of simulating LiDAR waveforms of Earth surfaces. Semi-empirical and geometric models can be imprecise because they rely on simplified simulations of Earth surfaces and light interaction mechanisms. On the other hand, Monte Carlo ray tracing (MCRT) models are potentially accurate but require long computational time. Here, we present a new LiDAR waveform simulation tool that is based on the introduction of a quasi-Monte Carlo ray tracing approach in the Discrete Anisotropic Radiative Transfer (DART) model. Two new approaches, the so-called "box method" and "Ray Carlo method", are implemented to provide robust and accurate simulations of LiDAR waveforms for any landscape, atmosphere and LiDAR sensor configuration (view direction, footprint size, pulse characteristics, etc.). The box method accelerates the selection of the scattering direction of a photon in the presence of scatterers with non-invertible phase function. The Ray Carlo method brings traditional ray-tracking into MCRT simulation, which makes computational time independent of LiDAR field of view (FOV) and reception solid angle. Both methods are fast enough for simulating multi-pulse acquisition. Sensitivity studies with various landscapes and atmosphere constituents are presented, and the simulated LiDAR signals compare favorably with their associated reflectance images and Laser Vegetation Imaging Sensor (LVIS) waveforms. The LiDAR module is fully integrated into DART, enabling more detailed simulations of LiDAR sensitivity to specific scene elements (e.g., atmospheric aerosols, leaf area, branches, or topography) and sensor configuration for airborne or satellite LiDAR sensors.

Gastellu-Etchegorry, Jean-Philippe↗
DOE OSTI2021

A Parameterization of the Cloud Scattering Polarization Signal Derived From GPM Observations for Microwave Fast Radative Transfer Models

Microwave cloud polarized observations have shown the potential to improve precipitation retrievals since they are linked to the orientation and shape of ice habits. Stratiform clouds show larger brightness temperature (TB) polarization differences (PDs), defined as the vertically polarized TB (TBV) minus the horizontally polarized TB (TBH), with ~10 K PD values at 89 GHz due to the presence of horizontally aligned snowflakes, while convective regions show smaller PD signals, as graupel and/or hail in the updraft tend to become randomly oriented. The launch of the global precipitation measurement (GPM) microwave imager (GMI) has extended the availability of microwave polarized observations to higher frequencies (166 GHz) in the tropics and midlatitudes, previously only available up to 89 GHz. This study analyzes one year of GMI observations to explore further the previously reported stable relationship between the PD and the observed TBs at 89 and 166 GHz, respectively. The latitudinal and seasonal variability is analyzed to propose a cloud scattering polarization parameterization of the PD-TB relationship, capable of reconstructing the PD signal from simulated TBs. Given that operational radiative transfer (RT) models do not currently simulate the cloud polarized signals, this is an alternative and simple solution to exploit the large number of cloud polarized observations available. Finally, the atmospheric radiative transfer simulator (ARTS) is coupled with the weather research and forecasting (WRF) model, in order to apply the proposed parameterization to the RT simulated TBs and hence infer the corresponding PD values, which show to reproduce the observed GMI PDs well.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Deep modeling of plasma and neutral fluctuations from gas puff turbulence imaging

The role of turbulence in setting boundary plasma conditions is presently a key uncertainty in projecting to fusion energy reactors. To robustly diagnose edge turbulence, we develop and demonstrate a technique to translate brightness measurements of HeI line radiation into local plasma fluctuations via a novel integrated deep learning framework that combines neutral transport physics and collisional radiative theory for the 3 3 D - 2 3 P transition in atomic helium with unbounded correlation constraints between the electron density and temperature. The tenets for experimental validity are reviewed, illustrating that this turbulence analysis for ionized gases is transferable to both magnetized and unmagnetized environments with arbitrary geometries. Based on fast camera data on the Alcator C-Mod tokamak, we present the first two-dimensional time-dependent experimental measurements of the turbulent electron density, electron temperature, and neutral density, revealing shadowing effects in a fusion plasma using a single spectral line.

47 OTHER INSTRUMENTATION↗
NASA NTRS2011

Multiangle Implementation of Atmospheric Correction (MAIAC):: Radiative Transfer Basis and Look-up Tables - 1

This paper describes a radiative transfer basis of the algorithm MAIAC which performs simultaneous retrievals of atmospheric aerosol and bidirectional surface reflectance from the Moderate Resolution Imaging Spectroradiometer (MODIS). The retrievals are based on an accurate semianalytical solution for the top-of-atmosphere reflectance expressed as an explicit function of three parameters of the Ross-Thick Li-Sparse model of surface bidirectional reflectance. This solution depends on certain functions of atmospheric properties and geometry which are precomputed in the look-up table (LUT). This paper further considers correction of the LUT functions for variations of surface pressure/height and of atmospheric water vapor, which is a common task in the operational remote sensing. It introduces a new analytical method for the water vapor correction of the multiple ]scattering path radiance. It also summarizes the few basic principles that provide a high efficiency and accuracy of the LUT ]based radiative transfer for the aerosol/surface retrievals and optimize the size of LUT. For example, the single-scattering path radiance is calculated analytically for a given surface pressure and atmospheric water vapor. The same is true for the direct surface-reflected radiance, which along with the single-scattering path radiance largely defines the angular dependence of measurements. For these calculations, the aerosol phase functions and kernels of the surface bidirectional reflectance model are precalculated at a high angular resolution. The other radiative transfer functions depend rather smoothly on angles because of multiple scattering and can be calculated at coarser angular resolution to reduce the LUT size. At the same time, this resolution should be high enough to use the nearest neighbor geometry angles to avoid costly three ]dimensional interpolation. The pressure correction is implemented via linear interpolation between two LUTs computed for the standard and reduced pressure levels. A linear mixture and a modified linear mixture methods are used to represent different aerosol types in the aerosol/surface retrievals from several base models of the fine and coarse aerosol fractions. In summary, the developed LUT algorithm allows fast high-accuracy simulations of the outgoing radiance with full variability of the atmospheric and surface bidirectional reflectance properties for the aerosol/surface remote sensing.

Lyapustin, Alexei↗
NASA NTRS2011

Constraining the Properties of the Eta Carinae System via 3-D SPH Models of Space-Based Observations: The Absolute Orientation of the Binary Orbit

The extremely massive (> 90 Stellar Mass) and luminous (= 5 x 10(exp 6) Stellar Luminosity) star Eta Carinae, with its spectacular bipolar "Homunculus" nebula, comprises one of the most remarkable and intensely observed stellar systems in the Galaxy. However, many of its underlying physical parameters remain unknown. Multiwavelength variations observed to occur every 5.54 years are interpreted as being due to the collision of a massive wind from the primary star with the fast, less dense wind of a hot companion star in a highly elliptical (e approx. 0.9) orbit. Using three-dimensional (3-D) Smoothed Particle Hydrodynamics (SPH) simulations of the binary wind-wind collision, together with radiative transfer codes, we compute synthetic spectral images of [Fe III] emission line structures and compare them to existing Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) observations. We are thus able, for the first time, to tightly constrain the absolute orientation of the binary orbit on the sky. An orbit with an inclination of approx. 40deg, an argument of periapsis omega approx. 255deg, and a projected orbital axis with a position angle of approx. 312deg east of north provides the best fit to the observations, implying that the orbital axis is closely aligned in 3-D space with the Homunculus symmetry axis, and that the companion star orbits clockwise on the sky relative to the primary.

Madura, Thomas I.↗
NASA NTRS2018

Active and Passive Radiative Transfer Modeling of the Olympic Mountains Experiment

Sensor forward models are an important tool for interpreting remote sensing observations of geophysical phenomena. By implementing a three-dimensional framework, we can simulate and analyze observations from various sensors on disparate platforms. To demonstrate our model framework, we simulate observations from the Olympic Mountains Experiment (OLYMPEX). The use of cloud model simulations allows us to understand sensor response to cloud ice, falling snow, and other processes and features, and the application of model tools to observations allows us to quantify precipitation.MIIST 3D Forward ModelThe Multi-Instrument Inverse Solver Testbed(MIIST) uses the Atmospheric Radiative TransferSimulator (ARTS) for solving the vector radiativetransfer (RT) equation in up to three spatialdimensions within a spherical geometry• Gas absorptiono Line-by-line calculationso Fast transmittance tables• Hydrometeor scattering solverso Discrete ordinateo RT4 (Evans, 1D)o Radar Single Scattering (1D or 3D)o Monte Carlo (3D)Scattering TablesHigh-fidelity hydrometeor scatteringtables are necessary for accurateand consistent forward modeling ofmulti-frequency observations• Requires full Stokes matriceso And absorption vector• Randomly oriented particleso Discrete Dipole Approximationo Characteristic Basis Function Method(coming soon)• Horizontally-oriented plateso Invariant Imbedding T-matrix MethodCloud Resolving SimulationsCloud resolving simulations (e.g.,NU-WRF) supply output consistentwith ARTS needs• Atmospheric Informationo Temperatureo Pressure / heighto Water vapor• Hydrometeor Profileso ARTS architecture ripe for explicit binmicrophysics• Examples use Morrison 2M schemeThe Olympic Mountains Experiment (OLYMPEX)Validation for GPM of mid-latitudefrontal systems approaching nearcoastalmountains from the ocean• Large collection of ground-based andairborne sensorso Radarso Radiometerso In situ• Contemporaneous with RADEXo Two sets of radar at same frequenciesRadiometer Simulation (3 km NUWRF, 20151203, 15:00)2018.12.14 7Simulate 166 GHz polarizationdifference• Corresponds to the presence of aligned icecrystals• Look at trends for both simulations andobservations• Simulations can tolerate lower resolutiono Larger domainSimulations from Observations: OLYMPEXSimulate sensor response usinggeophysical retrievals as input• Single frequency radar retrievals• Multiple scattering enhancementapparent at W band• Spatially dependent phenomenonModeling Application: 1D Retrievals03 December 2015• DC-8 and ER-2 flightso Focus on APR-3 (DC-8)• Citationo Stacked microphysics legso Qualitative comparisonso Range of frozen habitso Presence of supercooledliquid cloudsResults• Retrievals match probeso Good qualitative match• Bands of increasedreflectivity correspond tolarge Dm and highaggregate fraction• Significant amounts ofsupercooled liquid water

Adams, Ian S.↗
NASA NTRS1999

Diffusive and Radiative Transport in Fires (DARTFire): Opposed-Flow Flame Spread in Low-Velocity Flows

For flames spreading into a low-velocity flow that can only be obtained in microgravity, we have observed behavior that is different from that which is obtained at higher velocities where radiative effects are unimportant and species transport is relatively fast. Unfortunately, lack of a large body of low-gravity flame spread experimental data inhibits progress in developing an understanding of the physics of low-velocity, opposed-flow flame spread phenomena. Recent DARTFire sounding rocket experimental studies though, coupled with developing theory and modelling, have allowed some strides in understanding to be made, on which we report here. Four launches to date have resulted in six experiments for opposed-flow flame spread over a thick PMMA sample. During the 6 min microgravity period, the PMMA samples were ignited, and steady flame spread was studied under varied flow velocity, oxidizer atmospheric conditions, and, because radiative heat transfer is so important in these slowly spreading flames, external radiant flux. These were the first attempts at such experimental control and measurement in microgravity. A recent reflight of the Solid Surface Combustion Experiment (SSCE) has demonstrated, as modelling predicts, that for the thick fuel of the DARTFire experiment, flame spread in a quiescent environment is a transient process evolving from ignition to extinction on the order of 600 s (Altenkirch et al., 1999). Further study then of the effects of radiation in the very low-velocity opposing flows is of interest in understanding the transition from steady, sustained spread to the unsteady evolution to extinction as the opposing flow is reduced further and eventually removed.

Altenkirch, R. A.↗
NASA NTRS2010

Constraining the Properties of the Eta Carinae System via 3-D SPH Models of Space-Based Observations: The Absolute Orientation of the Binary Orbit

The extremely massive (> 90 Solar Mass) and luminous (= 5 x 10(exp 6) Solar Luminosity) star Eta Carinae, with its spectacular bipolar "Homunculus" nebula, comprises one of the most remarkable and intensely observed stellar systems in the galaxy. However, many of its underlying physical parameters remain a mystery. Multiwavelength variations observed to occur every 5.54 years are interpreted as being due to the collision of a massive wind from the primary star with the fast, less dense wind of a hot companion star in a highly elliptical (e approx. 0.9) orbit. Using three-dimensional (3-D) Smoothed Particle Hydrodynamics (SPH) simulations of the binary wind-wind collision in Eta Car, together with radiative transfer codes, we compute synthetic spectral images of [Fe III] emission line structures and compare them to existing Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) observations. We are thus able, for the first time, to constrain the absolute orientation of the binary orbit on the sky. An orbit with an inclination of i approx. 40deg, an argument of periapsis omega approx. 255deg, and a projected orbital axis with a position angle of approx. 312deg east of north provides the best fit to the observations, implying that the orbital axis is closely aligned in 3-1) space with the Homunculus symmetry axis, and that the companion star orbits clockwise on the sky relative to the primary.

Madura, Thomas I.↗
DOE OSTI2023

Exascale Multiphysics Nuclear Reactor Simulations for Advanced Designs

ENRICO is a coupled application developed under the U.S. Department of Energy's Exascale Computing Project (ECP) targeting the modeling of advanced nuclear reactors. It couples radiation transport with heat and fluid simulation, including the high-fidelity, highresolution Monte-Carlo code Shift and the Computational fluid dynamics code NekRS. NekRS is a highly-performant open-source code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on rapidly convergent high-order spectral element discretizations that feature minimal numerical dissipation and dispersion. State-of-the-art multilevel preconditioners, efficient high-order time-splitting methods, and runtime-adaptive communication strategies are built on a fast OCCA-based kernel library, libParanumal, to provide scalability and portability across the spectrum of current and future high-performance computing platforms. On Frontier, Nek5000/RS has recently achieved an unprecedented milestone in breaching over 1 billion spectral elements and 350 billion degrees of freedom. Shift has demonstrated the capability to transport upwards of 1 billion particles per second in full core nuclear reactor simulations featuring complete temperature-dependent, continuous-energy physics on Frontier. Shift achieved a weak-scaling efficiency of 97.8% on 8192 nodes of Frontier and calculated 6 reactions in 214,896 fuel pin regions below 1% statistical error yielding first-of-a-kind resolution for a Monte Carlo transport application.

Hamilton, Steven P.↗
DOE OSTI2020

Hydrodynamic conditions in laser irradiated buried layer experiments

The calculation of open shell ionization level and radiative properties of materials in Non-Local Thermal Equilibrium (NLTE) is currently still a major challenge for any atomic model. The predictions of various NLTE atomic codes at these conditions still differ significantly. In recent years, a new buried layer platform was developed at the Lawrence Livermore National Laboratory and the Laboratory for Laser Energetics. This platform is used to measure ionization distribution and emission of open L-shell, mid-Z ions and open M-shell, high-Z ions at NLTE conditions that are relevant in many laser plasma applications. These experiments offer a unique chance for benchmarking the atomic models. In order to perform these experiments, a uniform well characterized plasma source is required. In this work, we present one-dimensional (1D) and two-dimensional simulations of the experimental platform. These simulations were used for both the design and the analysis of the experiments. The simulations demonstrate the different phases of hydrodynamic evolution of the target and identify the time windows in which uniform conditions can be achieved. A 1D expansion of the target was found to be adequate to describe the target's evolution for most of the experiment duration. The fast 1D simulations were compared with recent experimental results from the Omega laser facility. The sensitivity of the results to several modeling parameters such as the electron flux limiter and laser resonant absorption is reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

tomoCAM : fast model-based iterative reconstruction via GPU acceleration and non-uniform fast Fourier transforms

X-ray-based computed tomography is a well established technique for determining the three-dimensional structure of an object from its two-dimensional projections. In the past few decades, there have been significant advancements in the brightness and detector technology of tomography instruments at synchrotron sources. These advancements have led to the emergence of new observations and discoveries, with improved capabilities such as faster frame rates, larger fields of view, higher resolution and higher dimensionality. These advancements have enabled the material science community to expand the scope of tomographic measurements towards increasingly in situ and in operando measurements. In these new experiments, samples can be rapidly evolving, have complex geometries and restrictions on the field of view, limiting the number of projections that can be collected. In such cases, standard filtered back-projection often results in poor quality reconstructions. Iterative reconstruction algorithms, such as model-based iterative reconstructions (MBIR), have demonstrated considerable success in producing high-quality reconstructions under such restrictions, but typically require high-performance computing resources with hundreds of compute nodes to solve the problem in a reasonable time. Here, tomoCAM , is introduced, a new GPU-accelerated implementation of model-based iterative reconstruction that leverages non-uniform fast Fourier transforms to efficiently compute Radon and back-projection operators and asynchronous memory transfers to maximize the throughput to the GPU memory. The resulting code is significantly faster than traditional MBIR codes and delivers the reconstructive improvement offered by MBIR with affordable computing time and resources. tomoCAM has a Python front-end, allowing access from Jupyter -based frameworks, providing straightforward integration into existing workflows at synchrotron facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗