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DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2019

An Approach to Retrieve BRDF from Satellite and Airborne Measurements of Surface-Reflected Radiance Based on Decoupling of Atmospheric Radiative Transfer and Surface Reflection

Bi-directional Reflection Distribution Function (BRDF) defines anisotropy of the surface reflection. It is required to specify the boundary condition for radiative transfer (RT) modeling. Measurements of reflected radiance by satellite- and air-borne sensors provide information about anisotropy of surface reflection. Atmospheric correction needs to be performed to derive BRDF from the reflected radiance. Common approach for BRDF retrievals consists of the use of kernel-based BRDF and RT modeling that needs to be done anew at every step of the iterative process. The kernels’ weights are obtained by minimization of the difference between measured and modeled radiance. This study develops a new method of retrieving kernel-based BRDF that requires RT calculations to be done only once. The method employs the exact analytical expression of radiance at any atmospheric level through the solutions of two auxiliary atmosphere-only RT problems and the surface-reflected radiance at the surface level. The latter is related to BRDF and solutions of the auxiliary RT problems by a Fredholm integral equation of the second kind. The approach requires to perform RT calculations one time before the iterations. It can use observations taken at different atmospheric conditions assuming that surface conditions remain unchanged during the time span of observations. The algorithm accurately catches zero weights of the kernels that may be a concern if the number of kernels is greater than 3 in current mainstream approaches. The study presents numerical tests of the BRDF retrieval algorithm for various surface and atmospheric conditions.

Radkevich, Alexander↗

DOE OSTI2019

Machine Learning the Voltage of Electrode Materials in Metal-Ion Batteries

Machine-learning (ML) techniques have rapidly found applications in many domains of materials chemistry and physics where large data sets are available. Aiming to accelerate the discovery of materials for battery applications, in this work, we develop a tool based on ML models to predict voltages of electrode materials for metal-ion batteries. To this end, we use deep neural network, support vector machine, and kernel ridge regression as ML algorithms in combination with data taken from the Materials Project database, as well as feature vectors from properties of chemical compounds and elemental properties of their constituents. We show that our ML models have predictive capabilities for different reference test sets and, as an example, we utilize them to generate a voltage profile diagram and compare it to density functional theory calculations. In addition, using our models, we propose nearly 5000 candidate electrode materials for Na- and K-ion batteries. We also make available a web-accessible tool that, within a minute, can be used to estimate the voltage of any bulk electrode material for a number of metal ions. Here, these results show that ML is a promising alternative for computationally demanding calculations as a first screening tool of novel materials for battery applications.

25 ENERGY STORAGE↗

DOE OSTI2024

Batched sparse direct solver design and evaluation in SuperLU_DIST

Over the course of interactions with various application teams, the need for batched sparse linear algebra functions has emerged in order to make more efficient use of the GPUs for many small and sparse linear algebra problems. In this paper, we present our recent work on a batched sparse direct solver for GPUs. The sparse LU factorization is computed by the levels of the elimination tree, leveraging the batched dense operations at each level and a new batched Scatter GPU kernel. The sparse triangular solve is computed by the level sets of the directed acyclic graph (DAG) of the triangular matrix. Batched operations overcome the large overhead associated with launching many small kernels. For medium sized matrix batches with not-so-small bandwidth, using an NVIDIA A100 GPU, our new batched sparse direct solver is orders of magnitude faster than a batched banded solver and uses less than one-tenth of the memory.

Boukaram, Wajih↗

DOE OSTI2024

Concepts for Actinide Recovery from TRISO Used Nuclear Fuel

The work described in this report has developed a preliminary conceptual flowsheet based on limited published literature for the head-end of a TRISO oxycarbide UNF reprocessing plant. The essential function of the head-end is to prepare the UNF for subsequent separation of actinides. The main steps of the conceptual TRISO UNF head-end reprocessing flowsheet are: 1. Fragmentation of the graphite moderator to expose the fuel particles. 2. Separation of fuel particles from fragmented graphite moderator by sieving and fluidization. 3. Fragmentation of the fuel particles to expose the fuel kernel. 4. Dissolution of the fuel kernel in nitric acid. Noteworthy at this step is the formation of organic acids (mainly oxalic and mellitic acids) from the carbon associated with the fuel and TRISO coatings. These acids can interfere with actinide separations and solvent extraction hydraulic performance and carbon dioxide gas generation. 5. Clarification of the dissolved fuel solution to separate the coating fragments. 6. Dissolver off-gas treatment with specific emphasis on managing generation of carbon dioxide gas containing carbon-14. The quantity of carbon dioxide is projected to be 100 to 1000 times greater than that arising from dissolving LWR UNF. Pre or post treatment of the exposed fuel kernels could be undertaken to mitigate the formation of organic acids but there still exists a significant off-gas treatment challenge. The literature on reprocessing uranium nitride UNF was reviewed but a flowsheet was not specifically developed since its scope and uncertainties are expected to be encompassed by the oxycarbide flowsheet. Overall, the predominant feature of processing TRISO UNF is carbon management to reduce waste volume and mitigate the formation of carbon dioxide and organic acids. This report recommends broad areas of research that will help to further define the head-end flowsheet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Dynamics of atoms in strong laser fields I: A quasi analytical model in momentum space based on a Sturmian expansion of the interacting nonlocal Coulomb potential

In this study we present a model that we have formulated in the momentum space to describe atoms interacting with intense laser fields. As a further step, it follows our recent theoretical approach in which the kernel of the reciprocal-space time-dependent Schrödinger equation (TDSE) is replaced by a finite sum of separable potentials, each of them supporting one bound state of atomic hydrogen (Tetchou Nganso et al. 2013). The key point of the model is that the nonlocal interacting Coulomb potential is expanded in a Coulomb Sturmian basis set derived itself from a Sturmian representation of Bessel functions of the first kind in the position space. As a result, this decomposition allows a simple spectral treatment of the TDSE in the momentum space. In order to illustrate the credibility of the model, we have considered the test case of atomic hydrogen driven by a linearly polarized laser pulse, and have evaluated analytically matrix elements of the atomic Hamiltonian and dipole coupling interaction. For various regimes of the laser parameters used in computations our results are in very good agreement with data obtained from other time-dependent calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Understanding SYCL Portability for Pseudorandom Number Generation: a Case Study with Gene-Expression Connectivity Mapping

Towards the goal of improving functional and performance portability of SYCL, we study a bioinformatics application that has been accelerated with CUDA and fast pseudorandom number generation on a GPU. We describe the experience of migrating pseudorandom number generation from CUDA to SYCL, evaluate the performance of pseudorandom number generators using the CUDA random number generation library, suggest the support of the XORWOW pseudorandom number generator in the oneAPI math kernel library (oneMKL) interface for performance portability, and identify the performance gap using the MKL interface in SYCL that supports pseudorandom number generation with third-party libraries. We hope that the results are valuable for the development of the SYCL ecosystem.

Jin, Zheming↗

NASA NTRS2016

A Multi-Sensor Water Vapor, Temperature and Cloud Climate Data Record: Status of Our MEaSUREs 2012 Project

- Our primary objectives: Incorporate all A-Train water vapor, including small-scale, horizontal and vertical water vapor structure from MODIS (Moderate Resolution Imaging Spectroradiometer) and GPS (Global Positioning System); Use MODIS cloud classification that is collocated at the pixel-scale over the full AIRS/AMSU (Atmospheric Infrared Sounder/Advanced Microwave Sounding Unit) swath; Extend summaries to PDFs (Probability Distribution Functions)/higher order moments of water vapor sorted by cloud classes; Establish robust, scale-dependent statistical relationships between cloud, temperature, and water vapor PDFs for the climate modeling community. - We will also: Update our current data record to new CloudSat/CALIPSO (Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation) cloud classification; Provide merged AIRS and MLS (Microwave Limb Sounder) water vapor profiles using averaging kernels; Include temperature and water vapor from models (ECMWF - European Centre for Medium-Range Weather Forecasts) and re-analyses (MERRA - Modern Era-Retrospective Analysis for Research and Applications); Classify METOP-A (Meteorological Operational Satellite-A) and NOAA (National Oceanic and Atmospheric Administration) satellite water vapor with AVHRR (Advanced Very High Resolution Radiometer) during SNOs (Solar Neutrino Oscillations); Compare with the NVAP-M (re-analysis and extension of the NASA Water Vapor Project (NVAP)) water vapor climatologies; Use existing data sources and mature algorithms, and document processing algorithms.

Fetzer, Eric↗

DOE OSTI2016

Modeling thermochemistry of fuel and coupling to fuel performance codes

A thermochemical library, Thermochimica, utilizes new algorithms and solvers designed for calculating equilibria of multicomponent and multiphase systems and has been coupled to the nuclear fuel performance code BISON. Thermochimica utilizes a generalized thermochemical database for urania-based fuels that has been under development for a number of years and continues to be expanded. One of the key motivations for use of thermodynamic models is that they can better represent the physics of oxygen migration. The coupling of the BISON code with Thermochimica and examples of its use in representing fuel phenomena are described. In the current implementation in BISON, fluxes are driven by the elemental concentration gradient. However, equilibrium is characterized by the absence of spatial variations of chemical potentials of the system species/components. The driving force to equilibrium (species flux) is proportional to the deviation from equilibrium, i.e., the gradient in chemical potential. It is therefore necessary to integrate chemical potential driven diffusion in the BISON representation of oxygen transport. The diffusion kernels based on thermodynamic models have been developed to simulate multicomponent transport in light water reactor (LWR) materials. The Thermochimica library was used to calculate various thermodynamics properties needed for transport calculations. The library also can calculate properties that are specific to various transport mechanisms for different fuel materials. For example, it can calculate defect site fractions among the sublattices in oxide fuels as a function of temperature, burnup, and stoichiometry. The transport and thermodynamic models are being integrated with other simulation efforts such as calculation of mobility functions that couple fluxes and chemical gradients. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

Spectrotemporal CT data acquisition and reconstruction at low dose

Purpose: X-ray computed tomography (CT) is widely used, both clinically and preclinically, for fast, high-resolution anatomic imaging; however, compelling opportunities exist to expand its use in functional imaging applications. For instance, spectral information combined with nanoparticle contrast agents enables quantification of tissue perfusion levels, while temporal information details cardiac and respiratory dynamics. The authors propose and demonstrate a projection acquisition and reconstruction strategy for 5D CT (3D + dual energy + time) which recovers spectral and temporal information without substantially increasing radiation dose or sampling time relative to anatomic imaging protocols. Methods: The authors approach the 5D reconstruction problem within the framework of low-rank and sparse matrix decomposition. Unlike previous work on rank-sparsity constrained CT reconstruction, the authors establish an explicit rank-sparse signal model to describe the spectral and temporal dimensions. The spectral dimension is represented as a well-sampled time and energy averaged image plus regularly undersampled principal components describing the spectral contrast. The temporal dimension is represented as the same time and energy averaged reconstruction plus contiguous, spatially sparse, and irregularly sampled temporal contrast images. Using a nonlinear, image domain filtration approach, the authors refer to as rank-sparse kernel regression, the authors transfer image structure from the well-sampled time and energy averaged reconstruction to the spectral and temporal contrast images. This regularization strategy strictly constrains the reconstruction problem while approximately separating the temporal and spectral dimensions. Separability results in a highly compressed representation for the 5D data in which projections are shared between the temporal and spectral reconstruction subproblems, enabling substantial undersampling. The authors solved the 5D reconstruction problem using the split Bregman method and GPU-based implementations of backprojection, reprojection, and kernel regression. Using a preclinical mouse model, the authors apply the proposed algorithm to study myocardial injury following radiation treatment of breast cancer. Results: Quantitative 5D simulations are performed using the MOBY mouse phantom. Twenty data sets (ten cardiac phases, two energies) are reconstructed with 88 μm, isotropic voxels from 450 total projections acquired over a single 360° rotation. In vivo 5D myocardial injury data sets acquired in two mice injected with gold and iodine nanoparticles are also reconstructed with 20 data sets per mouse using the same acquisition parameters (dose: ∼60 mGy). For both the simulations and the in vivo data, the reconstruction quality is sufficient to perform material decomposition into gold and iodine maps to localize the extent of myocardial injury (gold accumulation) and to measure cardiac functional metrics (vascular iodine). Their 5D CT imaging protocol represents a 95% reduction in radiation dose per cardiac phase and energy and a 40-fold decrease in projection sampling time relative to their standard imaging protocol. Conclusions: Their 5D CT data acquisition and reconstruction protocol efficiently exploits the rank-sparse nature of spectral and temporal CT data to provide high-fidelity reconstruction results without increased radiation dose or sampling time.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

High-performance strategies for the recent MRSF-TDDFT in GAMESS

Multiple ERI (Electron Repulsion Integral) tensor contractions (METC) with several matrices are ubiquitous in quantum chemistry. In response theories, the contraction operation, rather than ERI computations, can be the major bottleneck, as its computational demands are proportional to the multiplicatively combined contributions of the number of excited states and the kernel pre-factors. Here, this paper presents several high-performance strategies for METC. Optimal approaches involve either the data layout reformations of interim density and Fock matrices, the introduction of intermediate ERI quartet buffer, and loop-reordering optimization for a higher cache hit rate. The combined strategies remarkably improve the performance of the MRSF (mixed reference spin flip)-TDDFT (time-dependent density functional theory) by nearly 300%. The results of this study are not limited to the MRSF-TDDFT method and can be applied to other METC scenarios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Graph Metric Learning Quantifies Morphological Differences between Two Genotypes of Shoot Apical Meristem Cells in Arabidopsis

We present a method for learning “spectrally descriptive” edge weights for graphs. We generalize a previously known distance measure on graphs (Graph Diffusion Distance), thereby allowing it to be tuned to minimize an arbitrary loss function. Because all steps involved in calculating this modified GDD are differentiable, we demonstrate that it is possible for a small neural network model to learn edge weights which minimize loss. We apply this method to discriminate between graphs constructed from shoot apical meristem images of two genotypes of Arabidopsis thaliana specimens: wild-type and trm678 triple mutants with cell division phenotype. Training edge weights and kernel parameters with contrastive loss produces a learned distance metric with large margins between these graph categories. We demonstrate this by showing improved performance of a simple k-nearest-neighbors classifier on the learned distance matrix. We also demonstrate a further application of this method to biological image analysis. Once trained, we use our model to compute the distance between the biological graphs and a set of graphs output by a cell division simulator. Comparing simulated cell division graphs to biological ones allows us to identify simulation parameter regimes which characterize mutant vs. wild-type Arabidopsis cells. We find that trm678 mutant cells are characterized by increased randomness of division planes and decreased ability to avoid previous vertices between cell walls.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Toward a better thermal scattering law of (C 5 O 2 H 8 ) n : Inelastic neutron scattering and oClimax + NJOY2016

With the advancements in technology (both experimental and computational) the determination of the“true” experimental phonon spectrum became more accessible. Here a methodology for producing thermal scattering libraries from the experimental data (namely the DFT+oClimax method) for lucite (C 5 O 2 H 8 ) n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). Novel scattering kernel evaluations, based on the phonon spectrum for (C 5 O 2 H 8 ) n ,were created using oClimax and NJOY2016 codes. In order to compare and asses the performance of the newly created library, the experimental setup was simulated using MCNP6.1. Compared to the current ENDF/B-VIII.0, the resulting RPI (C 5 O 2 H 8 ) n library improved the calculation of both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing (C 5 O 2 H 8 ) n from HEU-MET-THERM resulted in an overall improved calculation of K eƒƒ . The DFT + oClimax method is shown to be the most comprehensive method for analysis of moderator materials, due to the fact that it can be verified against all data measured at VISION, ARCS and SEQUOIA neutron spectrometers at SNS ORNL, and experimental total scattering cross section measurements. This technique also provides a new technique for calculating any phonon spectrum-related quantities such as scattering law kernel, specific heat capacity, thermal conductivity, etc. for any solid state material.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1991

Proper orthogonal decomposition based turbulence modeling

The proper orthogonal decomposition is utilized to provide one mode estimates of various turbulence quantities in the near-wall region of the turbulent boundary layer. The experimental data of Herzog (1986) and the direct numerical simulation (DNS) results of Zang (1991) proved the two-point correlation tensor. The correlation tensor is then used as the kernel in the integral eigenvalue problem from which the proper orthogonal modes are obtained. The one mode estimates of the turbulent kinetic energy, dissipation, and triple moments all exhibit the proper asymtotic behavior near the wall. As a validation test, a model for the triple moments is developed and its near-wall behavior is studied. This information can then be used to obtain an estimate of the damping function near the wall, which is then compared to known existing behavior. Since this is an initial investigation, the streamwise and spanwise dependence is surpressed and only the wall normal direction (y+) behavior of various turbulence statistics near the wall is studied. Before examining one mode estimates of the triple moments and the dissipation (on which the model is based), various second order moments are examined. If these do not exhibit the proper behavior near the wall (as discussed by Speziale et al 1990) it does not seem reasonable to expect the one mode estimate of the triple moment and dissipation to have the right behavior. Only the results obtained using the experimental data of Herzog are discussed since the results from the simulations of Zang exhibit similar behavior as discussed above.

Glauser, Mark N.↗

NASA NTRS2011

Variability in Surface BRDF at Different Spatial Scales (30 m-500 m) Over a Mixed Agricultural Landscape as Retrieved from Airborne and Satellite Spectral Measurements

Over the past decade, the role of multiangle remote sensing has been central to the development of algorithms for the retrieval of global land surface properties including models of the bidirectional reflectance distribution function (BRDF), albedo, land cover/dynamics, burned area extent, as well as other key surface biophysical quantities represented by the anisotropic reflectance characteristics of vegetation. In this study, a new retrieval strategy for fine-to-moderate resolution multiangle observations was developed, based on the operational sequence used to retrieve the Moderate Resolution Imaging Spectroradiometer (MODIS) Collection 5 reflectance and BRDF/albedo products. The algorithm makes use of a semiempirical kernel-driven bidirectional reflectance model to provide estimates of intrinsic albedo (i.e., directional-hemispherical reflectance and bihemispherical reflectance), model parameters describing the BRDF, and extensive quality assurance information. The new retrieval strategy was applied to NASA's Cloud Absorption Radiometer (CAR) data acquired during the 2007 Cloud and Land Surface Interaction Campaign (CLASIC) over the well-instrumented Atmospheric Radiation Measurement Program (ARM) Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site in Oklahoma, USA. For the case analyzed, we obtained approx.1.6 million individual surface bidirectional reflectance factor (BRF) retrievals, from nadir to 75 off-nadir, and at spatial resolutions ranging from 3 m - 500 m. This unique dataset was used to examine the interaction of the spatial and angular characteristics of a mixed agricultural landscape; and provided the basis for detailed assessments of: (1) the use of a priori knowledge in kernel-driven BRDF model inversions; (2) the interaction between surface reflectance anisotropy and instrument spatial resolution; and (3) the uncertain ties that arise when sub-pixel differences in the BRDF are aggregated to a moderate resolution satellite pixel. Results offer empirical evidence concerning the influence of scale and spatial heterogeneity in kernel-driven BRDF models; providing potential new insights into the behavior and characteristics of different surface radiative properties related to land/use cover change and vegetation structure.

Roman, Miguel O.↗

NASA NTRS2012

Variability in Surface BRDF at Different Spatial Scales (30m-500m) Over a Mixed Agricultural Landscape as Retrieved from Airborne and Satellite Spectral Measurements

Over the past decade, the role of multiangle 1 remote sensing has been central to the development of algorithms for the retrieval of global land surface properties including models of the bidirectional reflectance distribution function (BRDF), albedo, land cover/dynamics, burned area extent, as well as other key surface biophysical quantities represented by the anisotropic reflectance characteristics of vegetation. In this study, a new retrieval strategy for fine-to-moderate resolution multiangle observations was developed, based on the operational sequence used to retrieve the Moderate Resolution Imaging Spectroradiometer (MODIS) Collection 5 reflectance and BRDF/albedo products. The algorithm makes use of a semiempirical kernel-driven bidirectional reflectance model to provide estimates of intrinsic albedo (i.e., directional-hemispherical reflectance and bihemispherical reflectance), model parameters describing the BRDF, and extensive quality assurance information. The new retrieval strategy was applied to NASA's Cloud Absorption Radiometer (CAR) data acquired during the 2007 Cloud and Land Surface Interaction Campaign (CLASIC) over the well-instrumented Atmospheric Radiation Measurement Program (ARM) Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site in Oklahoma, USA. For the case analyzed, we obtained approx.1.6 million individual surface bidirectional reflectance factor (BRF) retrievals, from nadir to 75deg off-nadir, and at spatial resolutions ranging from 3 m - 500 m. This unique dataset was used to examine the interaction of the spatial and angular 18 characteristics of a mixed agricultural landscape; and provided the basis for detailed assessments of: (1) the use of a priori knowledge in kernel-driven BRDF model inversions; (2) the interaction between surface reflectance anisotropy and instrument spatial resolution; and (3) the uncertainties that arise when sub-pixel differences in the BRDF are aggregated to a moderate resolution satellite pixel. Results offer empirical evidence concerning the influence of scale and spatial heterogeneity in kernel-driven BRDF models; providing potential new insights into the behavior and characteristics of different surface radiative properties related to land/use cover change and vegetation structure.

Roman, Miguel O.↗

NASA NTRS2015

Next-Generation Angular Distribution Models for Top-of-Atmosphere Radiative Flux Calculation from the CERES Instruments: Methodology

The top-of-atmosphere (TOA) radiative fluxes are critical components to advancing our understanding of the Earth's radiative energy balance, radiative effects of clouds and aerosols, and climate feedback. The Clouds and the Earth's Radiant Energy System (CERES) instruments provide broadband shortwave and longwave radiance measurements. These radiances are converted to fluxes by using scene-type-dependent angular distribution models (ADMs). This paper describes the next-generation ADMs that are developed for Terra and Aqua using all available CERES rotating azimuth plane radiance measurements. Coincident cloud and aerosol retrievals, and radiance measurements from the Moderate Resolution Imaging Spectroradiometer (MODIS), and meteorological parameters from Goddard Earth Observing System (GEOS) data assimilation version 5.4.1 are used to define scene type. CERES radiance measurements are stratified by scene type and by other parameters that are important for determining the anisotropy of the given scene type. Anisotropic factors are then defined either for discrete intervals of relevant parameters or as a continuous functions of combined parameters, depending on the scene type. Significant differences between the ADMs described in this paper and the existing ADMs are over clear-sky scene types and polar scene types. Over clear ocean, we developed a set of shortwave (SW) ADMs that explicitly account for aerosols. Over clear land, the SW ADMs are developed for every 1 latitude1 longitude region for every calendar month using a kernel-based bidirectional reflectance model. Over clear Antarctic scenes, SW ADMs are developed by accounting the effects of sastrugi on anisotropy. Over sea ice, a sea-ice brightness index is used to classify the scene type. Under cloudy conditions over all surface types, the longwave (LW) and window (WN) ADMs are developed by combining surface and cloud-top temperature, surface and cloud emissivity, cloud fraction, and precipitable water. Compared to the existing ADMs, the new ADMs change the monthly mean instantaneous fluxes by up to 5Wm(exp -2) on a regional scale of 1 deg. latitude x 1 deg. longitude, but the flux changes are less than 0.5Wm(exp -2) on a global scale.

Su, W.↗

DOE OSTI2020

RLScheduler: An Automated HPC Batch Job Scheduler Using Reinforcement Learning

Today’s high-performance computing (HPC) platforms are still dominated by batch jobs. Accordingly, effective batch job scheduling is crucial to obtain high system efficiency. Existing HPC batch job schedulers typically leverage heuristic priority functions to prioritize and schedule jobs. But, once configured and deployed by the experts, such priority functions can hardly adapt to the changes of job loads, optimization goals, or system settings, potentially leading to degraded system efficiency when changes occur. To address this fundamental issue, we present RLScheduler, an automated HPC batch job scheduler built on reinforcement learning. RLScheduler relies on minimal manual interventions or expert knowledge, but can learn high-quality scheduling policies via its own continuous ‘trial and error’. We introduce a new kernel-based neural network structure and trajectory filtering mechanism in RLScheduler to improve and stabilize the learning process. Through extensive evaluations, we confirm that RLScheduler can learn high-quality scheduling policies towards various workloads and various optimization goals with relatively low computation cost. Moreover, we show that the learned models perform stably even when applied to unseen workloads, making them practical for production use.

Zhang, Di↗