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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 541 records · Page 30

PCOR Partnership: A Catalyst for Commercial CCUS Deployment

Conference presentation at Carbon Capture & Storage Summit, Minneapolis, Minnesota, June 10-12, 2024. An overview of the Plains CO 2 Reduction (PCOR) Partnership Initiative and active commercial carbon capture, utilization, and storage (CCUS) activity in the region. The presentation discusses solutions for CCUS deployment challenges.

01 COAL, LIGNITE, AND PEAT↗

Procurement Analysis Tool (PAT)

This a poster on PAT for the CESA National Energy Summit for States: Navigating Energy Trends and Federal Programs Conference.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Southern Hemisphere Polar Infrared Radiation Experiment (SHIRE) Field Campaign Report

An extended-range atmospheric emitted radiance interferometer (AERI) instrument to be deployed to Scott Base (78 S, 166 E) in McMurdo Sound, Antarctica for the purpose of synergizing with the National Aeronautics and Space Administration (NASA) Polar Radiant Energy in the Far-InfraRed Experiment (PREFIRE) satellite mission (https://prefire.ssec.wisc.edu/), examining the closure of atmospheric thermal emission, and providing validation for PREFIRE. The PREFIRE mission is the first satellite mission to map Earth’s spectrally resolved thermal emission, from 5 to 50 microns, over seasonal to annual timescales. These new observations represent the beginning of an intensive examination of the nature of thermal emission from Earth (emission from both the surface and atmosphere). A primary requirement of the PREFIRE mission is to provide validation of the retrieved variables. Numerous field sites in the Arctic (such as the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) North Slope of Alaska observatory and Summit Station, Greenland) have existing instrumentation to facilitate validation, leaving an observational gap in Antarctica. Through SHIRE, we propose to establish a temporary, intensive measurement site in Antarctica to ensure that both poles are suitably represented, and benefit from this state-of-the art science. This will also allow Arctic and Antarctic atmospheric radiative states to be compared and contrasted. For SHIRE specifically, we also propose further objectives to examine the spectrally resolved thermal radiative closure of the polar atmosphere and the historical changes in Antarctic radiative forcing, using previous Antarctic field campaigns, such as the ARM West Antarctic Radiation Experiment (AWARE).

54 ENVIRONMENTAL SCIENCES↗

GASNet-EX Memory Kinds: Support for Device Memory in PGAS Programming Models

There is an emerging need for adaptive, lightweight communication in irregular HPC applications at exascale, where GPU accelerators provide the majority of available compute cycles. To address this need, Lawrence Berkeley National Lab is developing a programming system to support distributed-memory HPC application development using the Partitioned Global Address Space (PGAS) model. This work includes two major components: UPC++ and GASNet-EX. UPC++ is a C++ template library providing Remote Memory Access (RMA) and Remote Procedure Call (RPC) communication interfaces. GASNet-EX is a portable, high-performance communication middleware library, used by the implementations of UPC++ and many other PGAS programming models. We describe recent advances in GASNet-EX to efficiently implement zero-copy Remote Memory Access (RMA) communication to and from memory on accelerator devices such as GPUs. We demonstrate performance improvements via benchmark results from UPC++ (on Summit) and the Legion programming system (on DGX-1), both using GASNet-EX for communication.

Hargrove, Paul H↗

Optimal intrinsic alignment estimators in the presence of redshift-space distortions

We present estimators for quantifying intrinsic alignments in large spectroscopic surveys that efficiently capture line-of-sight (LOS) information while being relatively insensitive to redshift-space distortions (RSD). We demonstrate that changing the LOS integration range, pimax, as a function of transverse separation outperforms the conventional choice of a single pimax value. This is further improved by replacing the flat pimax cut with a LOS weighting based on shape projection and RSD. Although these estimators incorporate additional LOS information, they are projected correlations that exhibit signal-to-noise ratios comparable to 3D correlation functions, such as the IA quadrupole. Using simulations from Abacus Summit, we evaluate these estimators and provide recommended pimax values and weights for projected separations of 1 - 100 Mpc/h. These will improve measurements of intrinsic alignments in large cosmological surveys and the constraints they provide for both weak lensing and direct cosmological applications.

cosmology↗

Editorial: Hydrology, ecology, and nutrient biogeochemistry at the terrestrial-aquatic interface

Terrestrial-aquatic interfaces (TAI) play important roles in mediating the exchange of water and chemicals between land, surface and subsurface water systems, which is tightly coupled with biogeochemical transformations that influence water quality and ecosystem health (Harvey and Gooseff, 2015; Harvey et al., 2019). Understanding and predicting the interactions between the hydrologic, ecologic, and biogeochemical processes at those interfaces is crucial for the sustainable management of water resources and promotion of healthy ecosystems under different environmental stresses and disturbances, including climate change, human activities, and more frequent occurrence of extreme events. Both process-based and data-driven approaches have emerged to address critical challenges at TAIs as integral parts of the Earth system (e.g., Ward and Packman, 2019; Chen et al., 2021; Dwivedi et al., 2022). In this Research Topic, we sought research that advances the understanding of coupled hydrologic, ecologic, and biogeochemical processes along various TAIs from the summit to sea, e.g., river corridors and coastal TAI systems. We invited observational, experimental, theoretical, analytical, numerical, and data-driven research that aims to understand hydro-biogeochemical processes such as the redox dynamics and biogeochemical transformations of carbon, nutrients, and metals occurring at the TAIs and address their heterogeneity and scaling challenges.

54 ENVIRONMENTAL SCIENCES↗

Nek5000/RS performance on advanced GPU architectures

The authors explore performance scalability of the open-source thermal-fluids code, NekRS, on the U.S. Department of Energy's leadership computers, Crusher, Frontier, Summit, Perlmutter, and Polaris. Particular attention is given to analyzing performance and time-to-solution at the strong-scale limit for a target efficiency of 80%, which is typical for production runs on the DOE's high-performance computing systems. Several examples of anomalous behavior are also discussed and analyzed.

97 MATHEMATICS AND COMPUTING↗

Online Machine Learning for Accelerating Molecular Dynamics Modeling of Cells

We developed a biomechanics-informed online learning framework to learn the dynamics with ground truth generated with multiscale modeling simulation. It was built on Summit-like supercomputers, which were also used to benchmark and validate our framework on one physiologically significant modeling of deformable biological cells. We generalized the century-old equation of Jeffery orbits to a new equation of motion with additional parameters to account for the flow conditions and the cell deformability. Using simulation data at particle-based resolutions for flowing cells and the learned parameters from our framework, we validated the new equation by the motions, mostly rotations, of a human platelet in shear blood flow at various shear stresses and platelet deformability. Our online framework, which surrogates redundant computations in the conventional multiscale modeling by solutions of our learned equation, accelerates the conventional modeling by three orders of magnitude without visible loss of accuracy.

multiscale modeling↗

Inference-Optimized AI and High Performance Computing for Gravitational Wave Detection at Scale

We introduce an ensemble of artificial intelligence models for gravitational wave detection that we trained in the Summit supercomputer using 32 nodes, equivalent to 192 NVIDIA V100 GPUs, within 2 h. Once fully trained, we optimized these models for accelerated inference using NVIDIA TensorRT. We deployed our inference-optimized AI ensemble in the ThetaGPU supercomputer at Argonne Leadership Computer Facility to conduct distributed inference. Using the entire ThetaGPU supercomputer, consisting of 20 nodes each of which has 8 NVIDIA A100 Tensor Core GPUs and 2 AMD Rome CPUs, our NVIDIA TensorRT-optimized AI ensemble processed an entire month of advanced LIGO data (including Hanford and Livingston data streams) within 50 s. Our inference-optimized AI ensemble retains the same sensitivity of traditional AI models, namely, it identifies all known binary black hole mergers previously identified in this advanced LIGO dataset and reports no misclassifications, while also providing a 3X inference speedup compared to traditional artificial intelligence models. We used time slides to quantify the performance of our AI ensemble to process up to 5 years worth of advanced LIGO data. In this synthetically enhanced dataset, our AI ensemble reports an average of one misclassification for every month of searched advanced LIGO data. We also present the receiver operating characteristic curve of our AI ensemble using this 5 year long advanced LIGO dataset. This approach provides the required tools to conduct accelerated, AI-driven gravitational wave detection at scale.

97 MATHEMATICS AND COMPUTING↗

Optical Sky Brightness and Transparency during the Winter Season at Dome A Antarctica from the Gattini-All-Sky Camera

The summit of the Antarctic plateau, Dome A, is proving to be an excellent site for optical, near-infrared, and terahertz astronomical observations. Gattini is a wide-field camera installed on the PLATO instrument module as part of the Chinese-led traverse to Dome A in 2009 January. We present here the measurements of sky brightness with the Gattini ultra-large field of view (90{sup ∘}×90{sup ∘}) in the photometric B-, V-, and R-bands; cloud cover statistics measured during the 2009 winter season; and an estimate of the sky transparency. A cumulative probability distribution indicates that the darkest 10% of the nights at Dome A have sky brightness of S {sub B} = 22.98, S {sub V} = 21.86, and S {sub R} = 21.68 mag arcsec{sup −2}. These values were obtained during the year 2009 with minimum aurora, and they are comparable to the faintest sky brightness at Maunakea and the best sites of northern Chile. Since every filter includes strong auroral lines that effectively contaminate the sky brightness measurements, for instruments working around the auroral lines, either with custom filters or with high spectral resolution instruments, these values could be easily obtained on a more routine basis. In addition, we present example light curves for bright targets to emphasize the unprecedented observational window function available from this ground-based site. These light curves will be published in a future paper.

79 ASTRONOMY AND ASTROPHYSICS↗

The Vera C. Rubin Observatory Data Preview 1

We present Rubin Data Preview 1 (DP1), the first data from the National Science Foundation–Department of Energy Vera C. Rubin Observatory, comprising raw and calibrated single-epoch images, coadds, difference images, detection catalogs, and ancillary data products. DP1 is based on 1792 optical–near-infrared exposures acquired over 48 distinct nights by the Rubin Commissioning Camera (LSSTComCam) on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile in late 2024. DP1 covers ∼15 deg 2 distributed across seven roughly equal-sized noncontiguous fields, each independently observed in six broad photometric bands, ugrizy. The median FWHM of the point-spread function across all bands is approximately 1"14, with the sharpest images reaching about 0." 58. The 5σ point-source depths for coadded images in the deepest field, the Extended Chandra Deep Field South, are u = 24.55, g = 26.18, r = 25.96, i = 25.71, z = 25.07, and y = 23.1. Other fields are no more than 2.2 mag shallower in any band, where they have nonzero coverage. DP1 contains approximately 2.3 million distinct astrophysical objects, of which 1.6 million are extended in at least one band in coadds, and 431 solar system objects, of which 93 are new discoveries. DP1 is approximately 3.5 TB in size and is available to Vera C. Rubin Observatory data rights holders via the Rubin Science Platform, a cloud-based environment for the analysis of petascale astronomical data. While small compared to future LSST releases, its high quality and diversity of data support a broad range of early science investigations ahead of full operations in 2026.

Ground-based astronomy↗

Farpoint: A High-resolution Cosmology Simulation at the Gigaparsec Scale

Abstract In this paper we introduce the Farpoint simulation, the latest member of the Hardware/Hybrid Accelerated Cosmology Code (HACC) gravity-only simulation family. The domain covers a volume of (1000 h −1 Mpc) 3 and evolves close to two trillion particles, corresponding to a mass resolution of m p ∼ 4.6 × 10 7 h −1 M ⊙ . These specifications enable comprehensive investigations of the galaxy–halo connection, capturing halos down to small masses. Further, the large volume resolves scales typical of modern surveys with good statistical coverage of high-mass halos. The simulation was carried out on the GPU-accelerated system Summit, one of the fastest supercomputers currently available. We provide specifics about the Farpoint run and present an initial set of results. The high mass resolution facilitates precise measurements of important global statistics, such as the halo concentration–mass relation and the correlation function down to small scales. Selected subsets of the simulation data products are publicly available via the HACC Simulation Data Portal.

79 ASTRONOMY AND ASTROPHYSICS↗

H-AMR: A New GPU-accelerated GRMHD Code for Exascale Computing with 3D Adaptive Mesh Refinement and Local Adaptive Time Stepping

General relativistic magnetohydrodynamic (GRMHD) simulations have revolutionized our understanding of black hole accretion. Here, we present a GPU-accelerated GRMHD code H-AMR with multifaceted optimizations that, collectively, accelerate computation by 2–5 orders of magnitude for a wide range of applications. First, it introduces a spherical grid with 3D adaptive mesh refinement that operates in each of the three dimensions independently. This allows us to circumvent the Courant condition near the polar singularity, which otherwise cripples high-resolution computational performance. Second, we demonstrate that local adaptive time stepping on a logarithmic spherical-polar grid accelerates computation by a factor of ≲10 compared to traditional hierarchical time-stepping approaches. Jointly, these unique features lead to an effective speed of ~10 9 zone cycles per second per node on 5400 NVIDIA V100 GPUs (i.e., 900 nodes of the OLCF Summit supercomputer). We illustrate H-AMR's computational performance by presenting the first GRMHD simulation of a tilted thin accretion disk threaded by a toroidal magnetic field around a rapidly spinning black hole. With an effective resolution of 13,440 × 4608 × 8092 cells and a total of ≲22 billion cells and ~0.65 × 10 8 time steps, it is among the largest astrophysical simulations ever performed. We find that frame dragging by the black hole tears up the disk into two independently precessing subdisks. The innermost subdisk rotation axis intermittently aligns with the black hole spin, demonstrating for the first time that such long-sought alignment is possible in the absence of large-scale poloidal magnetic fields.

79 ASTRONOMY AND ASTROPHYSICS↗

AI ensemble for signal detection of higher order gravitational wave modes of quasi-circular, spinning, non-precessing binary black hole mergers

We introduce spatiotemporal-graph models that concurrently process data from the twin advanced LIGO detectors and the advanced Virgo detector. We trained these AI classifiers with 2.4 million IMRPhenomXPHM waveforms that describe quasi-circular, spinning, non-precessing binary black hole mergers with component masses m{1,2}∈[3M⊙,50M⊙], and individual spins sz{1,2}∈[−0.9,0.9]; and which include the (ℓ,|m|)={(2,2),(2,1),(3,3),(3,2),(4,4)} modes, and mode mixing effects in the ℓ=3,|m|=2 harmonics. We trained these AI classifiers within 22 hours using distributed training over 96 NVIDIA V100 GPUs in the Summit supercomputer. We then used transfer learning to create AI predictors that estimate the total mass of potential binary black holes identified by all AI classifiers in the ensemble. We used this ensemble, 3 classifiers for signal detection and 2 total mass predictors, to process a year-long test set in which we injected 300,000 signals. This year-long test set was processed within 5.19 minutes using 1024 NVIDIA A100 GPUs in the Polaris supercomputer (for AI inference) and 128 CPU nodes in the ThetaKNL supercomputer (for post-processing of noise triggers), housed at the Argonne Leadership Computing Facility. These studies indicate that our AI ensemble provides state-of-the-art signal detection accuracy, and reports 2 misclassifications for every year of searched data. This is the first AI ensemble designed to search for and find higher order gravitational wave mode signals.

Tian, Minyang↗