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At least 19 records

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Kernel fusion in atomistic spin dynamics simulations on Nvidia GPUs using tensor core

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins N, leading to significant computational effort. The GEMM subroutine can be adopted to accelerate the calculation of the dynamical spin-spin correlation function, but the computational cost of simulating large spin systems (>40000 spins) on CPUs remains expensive. In this work, we perform the simulation on the graphics processing unit (GPU), a hardware solution widely used as an accelerator for scientific computing and deep learning. Here we show that GPUs can accelerate the simulation up to 25-fold compared to multi-core CPUs when using the GEMM subroutine on both. To hide memory latency, we fuse the element-wise operation into the GEMM kernel using CUTLASS that can improve the performance by 26% ~ 33% compared to implementation based on cuBLAS. Furthermore, we perform the on-the-fly calculation in the epilogue of the GEMM subroutine to avoid saving intermediate results on global memory, which makes the large-scale atomistic spin dynamics simulation feasible and affordable.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Efficient screening of rare large pit anomalies on polished surfaces using a minimalist sampling scheme

Lawrence Livermore National Laboratory (LLNL) has made significant strides in generating clean energy through its inertial confinement fusion (ICF) experiments. These experiments rely on high-density carbon (HDC) coated shells to encapsulate the fusion fuel. The success of these experiments is heavily dependent on the surface quality of these shells, as even minor imperfections, such as deep pits, can negatively impact fusion yield. Ensuring the required smoothness involves an extensive surface-finishing process that spans approximately 20 stages, making it both time-intensive and resource-demanding. A critical challenge in this process is the need for high-resolution scans to detect rare deep pits, which can be costly and impractical if performed on every shell. This highlights the necessity of developing more efficient scanning methods to optimize time and cost without compromising accuracy. To address these challenges, we introduce a novel approach that employs the multivariate Dvoretzky–Kiefer–Wolfowitz (DKW) inequality to provide a probabilistic upper bound on the error in estimating pit distribution characteristics via a Kernel Density Estimator (KDE). This error bound enables efficient and reliable estimation of pit distribution characteristics at a specified statistical confidence level using a minimal number of surface scans. The integrated DKW-KDE approach was validated through surface-finishing experiments across two batches of HDC-coated shells, demonstrating consistent and robust performance across multiple stages of the surface-finishing experiments. The validation studies suggest that the integrated DKW-KDE approach achieves comparable accuracy in estimating the risk of deleterious large pits with six scans, thus conserving time and resources. Further evaluations show that performance remains consistent across batches and over multiple polishing stages. In conclusion, based on these findings, one can leverage the minimal-scan insights to strategically improve the bottleneck inspection process, thus enhancing the productivity and quality of shell polishing and similar challenging manufacturing processes.

Inertial confinement fusion↗

NASA NTRSDate not supplied

Engineering 6-Phosphogluconate Improves Grain Yield in Heat-Stressed Maize

Endosperm starch synthesis is a primary determinant of grain yield and is sensitive to high-temperature stress. The maize chloroplast-localized 6-phosphogluconate dehydrogenase (6PGDH), PGD3, is critical for endosperm starch accumulation. Maize also has two cytosolic isozymes, PGD1 and PGD2, that are not required for kernel development. We found that cytosolic PGD1 and PGD2 isozymes have heat-stable activity, while amyloplast-localized PGD3 activity is labile under heat stress conditions. We targeted heat-stable 6PGDH to endosperm amyloplasts by fusing the Waxy1 chloroplast targeting the peptide coding sequence to the Pgd1 and Pgd2 open reading frames (ORFs). These WPGD1 and WPGD2 fusion proteins import into isolated chloroplasts, demonstrating a functional targeting sequence. Transgenic maize plants expressing WPGD1 and WPGD2 with an endosperm-specific promoter increased 6PGDH activity with enhanced heat stability in vitro. WPGD1 and WPGD2 transgenes complement the pgd3-defective kernel phenotype, indicating the fusion proteins are targeted to the amyloplast. In the field, the WPGD1 and WPGD2 transgenes can mitigate grain yield losses in high-nighttime-temperature conditions by increasing kernel number. These results provide insight into the subcellular distribution of metabolic activities in the endosperm and suggest the amyloplast pentose phosphate pathway is a heat-sensitive step in maize kernel metabolism that contributes to yield loss during heat stress.

Synthetic Biology↗

DOE OSTI2026

A Discrete Hankel Transform Approach to Nuclear Data Processing for Fusion Applications

This study introduces advancements to the numerical solutions employed in the processing of nuclear data for fusion applications. It leverages the convolution theorem and Fourier transform techniques to enhance computational efficiency and broaden applicability. Building upon a previously reported discrete Hankel transform approach for Doppler broadening, this work refines the solution of convolution integrals central to these applications. The methodology provides a general and unified framework for evaluating any convolution operation, regardless of whether the underlying problem involves temperature effects in nuclear reactions. The applicability to the nuclear data processing for fusion is demonstrated by deriving the convolution integrals for some of the fusion-related quantities. As before, the convolution operation utilizes a Gaussian-based kernel; however, the discrete Hankel transform of order $𝛼$ = $\frac{1}{2}$ is now applied to the forward Fourier transform of the nonkernel argument, rather than the inverse Fourier transform. This modification eliminates the need for the integration of the nonkernel, cross section–based function, which is a step that posed challenges for certain pointwise cross-section representations. It also removes the requirement for cross-section linearization. Optimized for graphics processing unit architectures, the approach significantly improves computational performance. These advancements are currently under evaluation as the foundation for the next-generation thermonuclear data file processing codes being developed at Lawrence Livermore National Laboratory.

Nuclear science and engineering↗

NASA NTRSDate not supplied

All-sky Retrieval of Atmospheric Temperature, Water Vapor, Clouds, Trace Gases, and Surface Properties from Operational Hyperspectral IR Sounders

Operational IR sounders such AIRS, CrIS, and IASI provide high quality hyperspectral measurements for weather and climate applications. We will describe a new all-sky Single Field-of-view Sounder Atmospheric Product (SiFSAP). The uniqueness of this product is that it uses all available channels from hyperspectral sounders and the optimal estimation retrieval is done at a single FOV spatial resolution. The SiFSAP includes atmospheric temperature, water vapor, clouds, trace gases, surface skin, and surface emissivity and will be produced operationally at NASA GES DISC. We will describe the core component of the SiFSAP algorithm, which is the Principal Component-based Radiative Transfer Model (PCRTM), and will show example applications of the SiFSAP product for various atmospheric weather and dynamics studies. We also describe a new Climate Fingerprinting Sounder Product (ClimFiSP), which is derived from spatiotemporally averaged level-1 hyperspectral radiances directly. The ClimFiSP algorithm uses consistent radiative kernels and a robust spectral fingerprinting method. It provides fast and accurate data fusion products from multiple satellite sensors. We have applied this method to both AIRS and CrIS (on SNPP and on NOAA 20) data and generated two decades climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. The ClimFiSP are being transitioned to NASA data centers for routine generations level-3 products.

pcrtm↗

NASA NTRSDate not supplied

Climate Data Record Derived from Hyperspectral Sounders on AQUA, S-NPP and NOAA 20

Climate products are typically derived by performing spatial and temporal averaging of level-2 products. It is a time-consuming process to generate level-2 data products since modern hyperspectral satellite sensors have millions of observations each day with thousands of spectral channels for each observation. Additionally, differences in level-2 retrieval algorithms for different satellite sensors can lead to errors in the climate products. We have developed a Climate Fingerprinting Sounder Product (ClimFiSP), which is derived from spatiotemporally averaged level-1 hyperspectral radiances directly. The ClimFiSP algorithm uses consistent radiative kernels and a robust spectral fingerprinting method. It provides accurate data climate data fusion products from multiple satellite sensors. It eliminates or reduces the errors due to inconsistent L2 algorithms. We have applied this method to both AIRS and CrIS (on SNPP and on NOAA 20) data and generated two decades climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. The ClimFiSP are being transitioned to NASA data centers for routine generations level-3 products.

climate data record↗

NASA NTRSDate not supplied

20-Years of Atmospheric Temperature, Water Vapor, Cloud, and Surface Temperature Anomalies and Trends Derived From Operational Hyperspectral Ir Sounders

Hyperspectral IR sounders such as AIRS on Aqua, CrIS on S-NPP, NOAA20 and JPSS-2, IASI on Metop A, B, and C provide high-quality atmospheric temperature, water, vapor, and greenhouse gas vertical profiles. Additionally, they provide atmospheric cloud properties, surface emissivity, and surface skin temperatures. We have developed two algorithms which can consistently derive these products from multiple IR sounders. The first one is a Single Field-of-view Sounder Atmospheric Product (SIFSAP) algorithm and the second one is a Climate Fingerprinting Sounder Product (ClimFiSP) algorithm. Compared to current operational AIRS and CrIS Level-2 (L2) algorithms, which perform one retrieval for each 3 by 3 field of views (FOVs) using a cloud-clearing approach, the SiFSAP algorithm, on the other hand, performs one retrieval for each FOV using an all-sky optimal estimation approach. The SiFSAP algorithm retrieves all the above-mentioned atmosphere and surface properties simultaneously including cloud properties with 3-time higher spatial resolution and 9-times more products. The core of the SiFSAP algorithm is an accurate and fast Principal Component-based Radiative Transfer Model (PCRTM), which can calculate hyperspectral radiance spectra under both clear and cloudy conditions. The PCRTM was developed in the past decade using consistent reference line-by-line radiative transfer model and spectroscopy for hyperspectral sounders such as AIRS, CrIS, IASI, NAST-I, and S-HIS. The SiFSAP retrieval algorithm also uses the same climatology a priori and associated covariances, which makes it ideal for generating high quality products for both weather and climate applications. Climate products are typically derived by performing spatial and temporal averaging of L2 products. It is a time-consuming process to generate L2 data products since AIRS, CrIS, and IASI have millions of observations each day with thousands of spectral channels for each observation. Additionally, differences in L2 retrieval algorithms for different satellite sensors can lead to errors in the climate products. Our ClimFiSP algorithm, which performs retrievals from spatiotemporally averaged L1 hyperspectral radiances directly, will be orders of magnitude faster than traditional method. he ClimFiSP algorithm uses consistent radiative kernels and a robust spectral fingerprinting method. It provides accurate data climate data fusion products from multiple satellite sensors. We have applied this method to both AIRS and CrIS (on SNPP and on NOAA 20) data and generated two decades climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. Both SiFSAP and ClimFiSP will be available at NASA GES DISC data center for public access.

Xu Liu↗

NASA NTRSDate not supplied

Two Decades of Atmospheric and Surface Temperature, Water Vapor, and Cloud Trends Derived from Satellite Remote Sensors

Satellite remote sensor such as Atmospheric Infrared Sounder (AIRS), Cross-track Infrared Sounder (CrIS), and Infrared Atmospheric Sounding Interferometer (IASI) provide high-quality atmospheric temperature, water, vapor, and greenhouse gas vertical profiles. Additionally, they provide atmospheric cloud properties, surface emissivity, and surface skin temperatures. We have developed two algorithms which can consistently derive these products from multiple IR sounders. The first one is a Single Field-of-view Sounder Atmospheric Product (SIFSAP) algorithm and the second one is a Climate Fingerprinting Sounder Product (ClimFiSP) algorithm. Compared to current operational AIRS and CrIS Level-2 (L2) algorithms, which perform one retrieval for each 3 by 3 field of views (FOVs) using a cloud-clearing approach, the SiFSAP algorithm, on the other hand, performs one retrieval for each FOV using an all-sky optimal estimation approach. The SiFSAP algorithm retrieves all the above-mentioned atmosphere and surface properties simultaneously including cloud properties with 3-time higher spatial resolution and 9-times more products. Climate products are typically derived by performing spatial and temporal averaging of L2 products. It is a time-consuming process to generate L2 data products since AIRS, CrIS, and IASI have millions of observations each day with thousands of spectral channels for each observation. Additionally, differences in L2 retrieval algorithms for different satellite sensors can lead to errors in the climate products. Our ClimFiSP algorithm, which performs retrievals from spatiotemporally averaged L1 hyperspectral radiances directly, will be orders of magnitude faster than traditional method. he ClimFiSP algorithm uses consistent radiative kernels and a robust spectral fingerprinting method. It provides accurate data climate data fusion products from multiple satellite sensors. We have applied this method to both AIRS and CrIS (on SNPP and on NOAA 20) data and generated two decades climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. Both SiFSAP and ClimFiSP will be available at NASA GES DISC data center for public access.

remote sensing↗

NASA NTRSDate not supplied

Remote Sensing of Atmospheric Temperature, Water Vapor, Trace Gases, Cloud, and Surface Properties on Daily and Decadal Time Scales

Xu Liu↗

NASA NTRSDate not supplied

Development of Radiative Transfer Models and Retrieval Algorithms for Satellite Remote Sensors

Xu Liu↗

NASA NTRSDate not supplied

A New, Efficient, and Consistent Method for Generating Climate Data Record from Operational Hyperspectral Sounder Instruments on AQUA, S-NPP and NOAA 20

Operational IR sounders such AIRS on NASA Aqua, CrIS on S-NPP and on NOAA 20 satellites provide high quality hyperspectral measurements for weather and climate applications. Climate products are typically derived by performing spatial and temporal averaging of level-2 products. It is a time-consuming process to generate level-2 data products since modern hyperspectral satellite sensors have millions of observations each day with thousands of spectral channels for each observation. Additionally, differences in level-2 retrieval algorithms for different satellite sensors can lead to errors in the climate products. We have developed a Climate Fingerprinting Sounder Product (ClimFiSP), which is derived from spatiotemporally averaged level-1 hyperspectral radiances directly. The ClimFiSP algorithm uses consistent radiative kernels and a robust spectral fingerprinting method. It can provide fast and accurate data fusion products from multiple satellite sensors. We have applied this method to both AIRS and CrIS (on SNPP and on NOAA 20) data and generated two decades climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. The ClimFiSP are being transitioned to NASA data centers for routine generations level-3 products.

Xu Liu↗

NASA NTRSDate not supplied

A Spectral Fingerprinting Method for Deriving Consistent Climate Data Records from Multiple Satellite IR Sounders

Deriving Climate Data Records (CDRs) from multiple IR sounders such AIRS on Aqua, CrIS on S-NPP, NOAA20 and JPSS-2, IASI on Metop A, B, and C requires from current operational products are challenging due to different radiative transfer models and retireavl algorithms used for processing level 2 data. We developed a Climate Fingerprinting Sounder Product (ClimFiSP) algorithm, which uses a single set of radiative kernels a robust spectral fingerprinting method to performs retrievals using spatiotemporally averaged L1 hyperspectral radiances directly. The ClimFiSP algorithm provides accurate data fusion CDR products from multiple satellite sensors. We have applied this method to both AIRS and CrIS (on SNPP and on NOAA 20) data and generated two decades climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. We plan to add IASI to the CDR data set in the future. The ClimFiSP is being transitioned to NASA GES DISC data center for public access.

Xu Liu↗

DOE OSTI2024

A Performance-Portable MultiGPU Implementation of 3D Euler Equations using ProtoX and IRIS

Computational scientists often face challenges when developing and optimizing code for high-performance computing (HPC), especially when trying to leverage GPUs. Given the heterogeneity of the nodes that comprise many modern HPC facilities, considerable demand exists for performance portable solutions for the core computational kernels used in many scientific computing libraries. In this work, we demonstrate a fourth-order finite volume method–based implementation of the Euler equations, which are an integral part of computational fluid dynamics. Our performance-portable multiGPU implementation for Euler equations uses ProtoX to generate kernels and IRIS for portability. ProtoX is a domain-specific language that uses a structured-grid partial differential equation library called Proto as its front end and the SPIRAL code generation system as its back end to generate optimized kernels for different architectures. Optimized kernels generated by ProtoX are orchestrated through the IRIS intelligent runtime system to provide portability. Two levels of optimizations within the IRIS runtime— directed acyclic graph fusion and task fusion—are explored to efficiently utilize computing resources in a multiGPU environment. Performance improvement through these optimizations is showcased by comparing the base ProtoX-IRIS implementation on AMD GPUs (Frontier node) and on NVIDIA GPUs (NVIDIA DGX-1).

Mankad, Het↗

NASA NTRSDate not supplied

Maize Rough Endosperm6 (rgh6) Encodes A Predicted Dead-Box RNA Helicase and Affects Mirna Processing in Endosperm Development

Maize rough endosperm (rgh) mutants have defective kernels with a rough, etched, or pitted endosperm surface. Molecular genetic analysis of this mutant class has identified multiple RNA processing proteins critical to endosperm development. Here, we report on the developmental and molecular function of the rgh6 locus. The rgh6 mutant was isolated from the UniformMu transposon tagging population. Mutant kernels have reduced endosperm size and defective embryos that develop in a more apical position than typical for defective embryos. TB translocation crosses revealed that rgh6 mutant endosperm inhibits normal embryo development. Positional cloning of the rgh6 locus found that it encodes a predicted DEAD-box RNA helicase. Consistent with a predicted function for RNA processing, transient expression of a RGH6-GFP fusion protein is localized to nucleolus and nuclear speckles in Nicotiana benthamiana leaves. Rgh6 transcripts are highly expressed in endosperm epidermal cell types such as the aleurone, basal endosperm cell layer, embryo surrounding region, and endosperm adjacent to scutellum. Markers of these cell types show increased levels in rgh6 mutant kernels. Mutant endosperm tissues have increased precursor microRNA (pre-miRNA) and decreased mature miRNA relative to normal sibling endosperm, indicating that rgh6 is required for miRNA processing. The transcript levels for most miRNA target genes accumulate to a higher level in rgh6 mutant tissue. These results suggest that miRNA processing and regulation of miRNA target genes are required for normal endosperm development.

Plant Sciences↗

NASA NTRS1986

A simple method for computing the relativistic Compton scattering kernel for radiative transfer

Correct computation of the Compton scattering kernel (CSK), defined to be the Klein-Nishina differential cross section averaged over a relativistic Maxwellian electron distribution, is reported. The CSK is analytically reduced to a single integral, which can then be rapidly evaluated using a power series expansion, asymptotic series, and rational approximation for sigma(s). The CSK calculation has application to production codes that aim at understanding certain astrophysical, laser fusion, and nuclear weapons effects phenomena.

Prasad, M. K.↗

DOE OSTI2025

Scattering theory in noncanonical phase space: A Drift-Kinetic collision operator for weakly collisional plasmas

After developing a scattering theory for grazing collisions in general noncanonical phase spaces, we introduce a guiding center collision operator in five-dimensional phase space designed for plasma regimes characterized by long wavelengths (relative to the Larmor radius), low frequencies (relative to the cyclotron frequency), and weak collisionality (where repeated Coulomb collisions induce cumulatively small changes in particle magnetic moment). The collision operator is fully determined by the noncanonical Hamiltonian structure of guiding center dynamics and exhibits a metriplectic structure, ensuring the conservation of particle number, momentum, energy, and interior Casimir invariants. It also satisfies an H-theorem, allowing for deviations from an equilibrium Maxwellian distribution due to the nontrivial kernel of the noncanonical guiding center Poisson tensor, spanned by the magnetic moment. We propose that this collision operator and its underlying mathematical structure may offer valuable insight into the study of turbulence, transport, and self-organizing phenomena in both laboratory and astrophysical plasmas.

Hamiltonian mechanics↗

DOE OSTI2025

Building a new multiphysics workflow in MOOSE: application to tritium migration, trapping and advection in TMAP8

Fusion devices are anticipated to produce and consume several kilograms of tritium per year. This rare fuel resource is both highly mobile and radioactive, making tracking inventories a priority for operation and safety. The fusion safety program at the Idaho National Laboratory has been developing the Tritium Migration and Analysis Program (TMAP), of which the latest version is a MOOSE-based application. TMAP8 is verified against its predecessors and possesses additional multi-dimensional tritium migration modeling capabilities. As we extend its capabilities towards both whole device (in multiple dimensions) and whole plant (with multiple components) simulations, the syntax of inputs must become compact, descriptive, compatible with quality assurance processes, and as error-proof as achievable. The new Physics system developed MOOSE can set up equations and instantiating them on plant components. The system permits the automatic definition of complex discretization with a consistency between object parameters achieved programmatically. The Physics system can currently instantiate the equations for heat conduction and Navier Stokes weakly compressible flow. In MOOSE-terms, it automates the definition of kernels, boundary conditions, and several core and helper materials and fields. As part of this effort, Physics classes were developed for tritium migration, trapping and advection within either a multi-dimensional Navier Stokes fluid dynamics simulation, or a 1D thermal hydraulics piping system. In this presentation, we will showcase the new syntax, its application to several verification and validation cases which were already studied using the classical TMAP8 syntax, and a demonstration of the new coupling capabilities for the migration of tritium into blanket coolant channels and the subsequent advection into the coolant loop.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRSDate not supplied

Fusion of Hyperspectral Sounder Products Via Spectral Fingerprinting Methodology

Satellite based measurements of top-of-atmosphere (TOA) spectral radiances in the infrared (IR) region have been in existence for almost two decades and are expected to be continued in the following decades. The data from multiple hyper-spectral IR sounders can therefore be combined to build a long-term data record to further global scale climate trend research. Challenges associated with the fusion of data from different sensors come from the stability and consistency requirement on the climate record. The direct radiance observations from different sounders need to be homogenized by reconciling the differences in calibration, spectral response function (SRF), and spatial-temporal sampling. When geophysical variables derived from radiances measured by different sounders are combined to form long-term climate records, the impacts of any inconsistencies between overlapping measurements on the retrieval must be carefully assessed in order to estimate the uncertainty of the corresponding climate anomalies/trends derived. This paper presents a novel climate fingerprinting methodology and establishes a rigorously-defined inverse relationship that allows us to efficiently evaluate the change in essential climate variables from the change in spectral radiances measured in prescribed spatial and temporal averaging scales. The inverse spectral fingerprinting relationship is constructed based on a unified spectral kernel scheme, providing a direct means for quantifying the potential discontinuity in the derived climate anomalies due to inconsistencies between overlapping measurements. We show in this paper a sample application of using the spectral fingerprinting scheme to derive long-term, global-scale surface temperatures from the Climate Hyperspectral Infrared Radiance Product (CHIRP) and quantify the inter-satellite biases.

Wan Wu↗