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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 289 records · Page 16

Ding_MICRE_V1.0_Environmental_Parameters

The files contain the a variety of quantities useful in the analysis of MICRE datasets. Specifically, 1) Local meteorological conditions including: sea surface temperature (SST), lower tropospheric stability (LTS), marine cold air outbreak (MCAO) index, inversion height, and lifting condensation level (LCL). 2) Location relative to the oceanic polar front (PF), center of the closest cyclone, and nearest warm fronts and cold fronts 3) Location of air parcels 72 hours prior to its arrival at/above the MICRE site computed using the HYSPLIT back trajectory model

54 ENVIRONMENTAL SCIENCES↗

Probing jet base emission of M87* with the 2021 Event Horizon Telescope observations

We investigate the presence and spatial characteristics of the jet base emission in M87* at 230 GHz, enabled by the significantly enhanced (u,v) coverage in the 2021 Event Horizon Telescope (EHT) observations. The integration of the 12−m Kitt Peak Telescope (USA) and NOEMA (France) stations into the array introduces two critical intermediate-length baselines to SMT (USA) and IRAM 30−m (Spain), providing sensitivity to emission structures at spatial scales of ∼250 μas and ∼2500 μas (∼ 0.02 pc and ∼ 0.02 pc). Without these new baselines, previous EHT observations of the source in 2017 and 2018 lacked the capability to constrain emission on large scales, where a “missing flux” of order ∼1 Jy is expected to reside. To probe these scales, we analyzed closure phases–robust against station-based gain calibration errors–and model the jet base emission using a simple Gaussian component offset from the compact ring emission at spatial separations > 100 μas. Our analysis revealed a Gaussian feature centered at (ΔRA ≈ 320 μ as, ΔDec. ≈ 60 μ as), projected separation of ≈ 5500 AU, with an estimated flux density of only ∼60 mJy, implying that most of the missing flux identified in previous EHT studies had to originate from different, larger scales. Brighter emission at the relevant spatial scales is firmly ruled out, and the data do not favor more complex models. This component aligns with the inferred position of the large-scale jet and is therefore physically consistent with the emission of the jet base. While our findings point to detectable jet base emission at 230 GHz, the limited coverage provided by only two intermediate baselines limits our ability to robustly reconstruct its morphology. Consequently, we treated the recovered Gaussian as an upper limit on the jet base flux density. Future EHT observations with expanded intermediate baseline coverage will be essential to constrain the structure and nature of this component with higher precision.

accretion, accretion disks↗

Transforming Energy through Computational Science: Computing for Clean Energy

This fact sheet discusses the opportunity space for NREL's computational science capabilities to address national clean energy objectives. Achieving a carbon-free power sector by 2035 as a step towards a decarbonized U.S. energy economy in 2050 will require major advances in power generation, autonomous energy systems, transportation, and buildings/communities. Development of integrated modeling approaches for complex energy systems will be essential for deployment. Success requires developments in optimization and control theory, complemented by machine learning (ML) and artificial intelligence (AI), all of which in turn need targeted investments in breadth and scale of computing. This document defines an opportunity space where: embracing computing can link established research and development (R&D) to a decarbonization agenda; pursuing emerging approaches can accelerate the pace of technology advancement across the portfolio; and leading by example could reduce the carbon footprint of computing worldwide.

advanced computing↗

Development of a Miniaturized Mobile Mapping System for In-Row, Under-Canopy Phenotyping

This paper focuses on the development of a miniaturized mobile mapping platform with advantages over current agricultural phenotyping systems in terms of acquiring data that facilitate under-canopy plant trait extraction. The system is based on an unmanned ground vehicle (UGV) for in-row, under-canopy data acquisition to deliver accurately georeferenced 2D and 3D products. The paper addresses three main aspects pertaining to the UGV development: (a) architecture of the UGV mobile mapping system (MMS), (b) quality assessment of acquired data in terms of georeferencing information as well as derived 3D point cloud, and (c) ability to derive phenotypic plant traits using data acquired by the UGV MMS. The experimental results from this study demonstrate the ability of the UGV MMS to acquire dense and accurate data over agricultural fields that would facilitate highly accurate plant phenotyping (better than above-canopy platforms such as unmanned aerial systems and high-clearance tractors). Plant centers and plant count with an accuracy in the 90% range have been achieved.

54 ENVIRONMENTAL SCIENCES↗

Full-polarization millimeter wavelength variability of Sagittarius A * during the 2018 EHT campaign

Context. Sagittarius A* (Sgr A*), the supermassive black hole at the center of the Milky Way, provides a unique laboratory to study accretion dynamics and plasma processes near the event horizon. Aims. We investigated the variability and polarization properties of Sgr A* using ALMA observations during the 2018 Event Horizon Telescope campaign. Methods. We analyzed high-cadence full-polarization light curves from ALMA at millimeter wavelengths, performed time-series analysis, and investigated the temporal behavior during an X-ray flare observed by Chandra on 2018 April 24. The variability characteristics are compared with expectations from standard accretion flow models. Results. We find low variability in total intensity (σ/μ < 10%), but significantly higher variability in linear and circular polarization (∼30% and ∼50%, respectively). A time-series analysis reveals red-noise variability, with power spectral densities between −2 and −3 across all Stokes parameters. Polarized intensity shows stable intra-day timescales, while total intensity exhibits more variable timescales, suggesting distinct emission regions, with polarization likely arising from a coherent structure. On April 24, a statistically significant inter-band delay in polarized intensity coincides with a near-simultaneous X-ray and millimeter peak that deviates from the typical delayed flare scenario. This event also features enhanced millimeter variability and coherent polarization loop evolution. The observed simultaneity challenges standard models of transient synchrotron emission with cooling delays, favoring instead a scenario of continuous energy injection in an optically thin region. Conclusions. Our results offer new constraints on the physical mechanisms driving variability in Sgr A*, and provide key observational input for refining theoretical models of accretion and plasma behavior in the vicinity of supermassive black holes.

Galaxy: center↗

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory's (ORNL's) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high performance computing (HPC) needs; and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2019 was a big year as OLCF staff ran five world-class resources (the leadershipclass computers Titan and Summit, the large analysis cluster called Eos, and the massive parallel filesystems called Atlas and Alpine)) and also began power and cooling upgrades for a 2021 exascale system called Frontier. While continuing exceptional operation of Titan, Eos, and Rhea, the OLCF released the Summit supercomputer for production on January 1, 2019. Summit debuted as the most capable and efficient system in its class and has been recognized as the most powerful system in the world for its performance on both the high performance linpack (HPL) and conjugate gradient (HPCG) benchmark applications since June 2018 according to TOP500. Summit represents the culmination of a multiyear effort between the OLCF, IBM, NVIDIA, and Mellanox to deliver a system that is unmatched for modeling, simulation, data analysis, and learning. To hit the ground running with science-ready applications on day one, application teams worked closely with the OLCF through the Center for Accelerated Application Readiness (CAAR) program for years in advance of the Summit deployment. CY 2019 was filled with outstanding results and accomplishments: a very high rating from users on overall satisfaction for the sixth year in a row; a tremendous amount of core-hours delivered to researchers from two leadership-class systems; and success in delivering on the allocation split of roughly 60%, 30%, and 10% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director's Discretionary (DD) programs, respectively (see Operational Performance section). These accomplishments, coupled with the high utilization rates (overall and capability usage), represent the fulfillment of the promise of both leadership-class machines: efficient facilitation of leadership-class computational applications. Table ES.1 presents a summary of the 2019 OLCF metric targets and the associated results. More information can be found in the Operational Performance section for each OLCF resource. The scientific accomplishments of OLCF users are a strong indication of long-term operational success, with publications this year in such notable journals and publications as Nature, Nature Physics, Nature Plants, Physical Review X, Journal of the American Physical Society, Cell, Nano Letters, and Trends in Biotechnology. Crucial domain-specific discoveries facilitated by resources at the OLCF are described in the High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility (OAR) Strategic Results section. For example, researchers used Summit to pinpoint and understand the production of proteins from genetic information, including mutations and the functional expression of disease (Section 8.2).

97 MATHEMATICS AND COMPUTING↗

Gerischer Electrochemistry Today

Semiconductor photoelectrochemistry is a dynamic and interdisciplinary field at the forefront of research in solar fuels, energy conversion, and catalysis. Here, this Perspective captures the collective insights from the second Gerischer Electrochemistry Today Symposium, held at Colorado State University in Fort Collins, CO, in August 2024, which convened leading researchers, early-career scientists, and industry partners to define the critical next steps for the field. Through interactive sessions, technical talks, panel discussions, and training initiatives─including a Semiconductor Electrochemistry Bootcamp─the symposium emphasized three pillars of advancement: (i) facilitating the exchange of new ideas in semiconductor electrochemistry and charge separation; (ii) fostering the development of future researchers, research topics, and participation in the semiconductor workforce; and (iii) building community. This Energy Focus distills key themes from the meeting and identifies major knowledge gaps in the following areas: mechanisms of charge separation and recombination, role of defects and disorder, dynamic and operando characterization methods, interfacial chemistry and surface passivation, theoretical and modeling limitations, and standardization and benchmarking. The inclusive and collaborative structure of the symposium enabled the generation of this comprehensive report that will serve as a roadmap for fundamental and applied research in the rapidly evolving field of semiconductor electrochemistry over the next decade.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Two-dimensional electronic Stark spectroscopy of a photosynthetic dimer

Stark spectroscopy, which measures changes in the linear absorption of a sample in the presence of an external DC electric field, is a powerful experimental tool for probing the existence of charge-transfer (CT) states in photosynthetic systems. CT states often have small transition dipole moments, making them insensitive to other spectroscopic methods, but are particularly sensitive to Stark spectroscopy due to their large permanent dipole moment. In a previous study, we demonstrated a new experimental method, two- dimensional electronic Stark spectroscopy (2DESS), which combines two-dimensional electronic spectroscopy (2DES) and Stark spec- troscopy. In order to understand how the presence of CT states manifest in 2DESS, here, we perform computational modeling and calculations of 2DESS as well as 2DES and Stark spectra, studying a photosynthetic dimer inspired by the photosystem II reaction center. Here, we identify specific cases where qualitatively different sets of system parameters produce similar Stark and 2DES spectra but significantly different 2DESS spectra, showing the potential for 2DESS to aid in identifying CT states and their coupling to excitonic states.

14 SOLAR ENERGY↗

The Arctic

The Arctic environment in 2024 continued on a trajectory that has put it in a state far different from that of the twentieth century. Ongoing accumulation of greenhouse gases in the atmosphere continues to quickly warm the Arctic, resulting in rapid changes in the cryosphere that are driving cascading impacts to climate, ecological, and societal systems. Many weather- and climate-related impacts in the Arctic are the result of compounding change, such as increased riverbank erosion, which is proximately due to increased river discharge from higher seasonal precipitation, yet is also exacerbated by thawing permafrost. However, even individual storms occur within very different ocean and ice conditions than were typically present in the late twentieth century. As a result, the impacts, including high winds, excessive precipitation, and coastal inundation, may be quite different nowadays, as exemplified by the October 2024 storm in northwest Alaska that produced severe coastal flooding in several communities. To share some of these impacts with a wider audience, select extreme weather impacts around the greater Arctic have been highlighted through the inclusion of sidebars in recent State of the Climate Arctic chapters (e.g., Benestad et al. 2023; Thoman et al. 2024).

Thoman, Richard L. [Univ. of Alaska, Fairbanks, AK↗

A Roadmap for Quantum Interconnects

Created by Q-NEXT, a U.S. Department of Energy (DOE) National Quantum Information Science Research Center, this document is a roadmap for quantum interconnects research and its impact for quantum information science and technology. It is the outcome of the collective work of a large team of Q-NEXT members and participants from academia, industry and DOE national laboratories. The roadmap addresses the role of quantum interconnects in three emerging areas of quantum information: computing, communication and sensing. It reviews the materials, components and systems used for these purposes; summarizes relevant scientific questions and issues; and addresses the most pressing research needs. The document then distills these considerations into recommendations for strategic science and technology research imperatives for the next decade. In addition to informing Q-NEXT’s internal activities, the roadmap has also been created with a broader objective of developing a guide for key issues and research needed over the next decade for the worldwide scientific and engineering community interested in quantum information.

42 ENGINEERING↗

Recommendations for Comprehensive and Independent Evaluation of Machine Learning‐Based Earth System Models

Abstract Machine learning (ML) is a revolutionary technology with demonstrable applications across multiple disciplines. Within the Earth science community, ML has been most visible for weather forecasting, producing forecasts that rival modern physics‐based models. Given the importance of deepening our understanding and improving predictions of the Earth system on all time scales, efforts are now underway to develop Earth‐system models (ESMs) capable of representing all components of the coupled Earth system (or their aggregated behavior) and their response to external changes over long timescales. Building trust in ESMs is a much more difficult problem than for weather forecast models, not least because the model must represent the alternate (e.g., future or paleoclimatic) coupled states of the system for which there are no direct observations. Given that the physical principles that enable predictions about the response of the Earth system are often not explicitly coded in these ML‐based models, demonstrating the credibility of ML‐based ESMs thus requires us to build evidence of their consistency with the physical system. To this end, this paper puts forward five recommendations to enhance comprehensive, standardized, and independent evaluation of ML‐based ESMs to strengthen their credibility and promote their wider use.

54 ENVIRONMENTAL SCIENCES↗

Accomplishments and Mid-Year Performance Report: Wind Energy Program Fiscal Year 2020

Through transformative science and innovation, the U.S. Department of Energy's (DOE's) National Wind Technology Center (NWTC) at the National Renewable Energy Laboratory's (NREL's) Flatirons Campus helps lead the way to a sustainable energy future that powers America with significant levels of reliable, low-cost, and accessible wind energy. Since 1976, NREL has provided an ideal environment for the research and development (R&D) of advanced energy technologies through: Wind energy resource assessments, World-class research facilities, High-performance computing and modeling, Data and technology analysis, Manufacturing breakthroughs, Environmental analysis and wildlife conservation efforts, Education and training programs for a future workforce. These activities enable the innovations needed to advance U.S. wind systems, address market and deployment barriers, and drive down the cost of wind energy with more efficient, more reliable, and more predictable wind energy systems. This report provides an overview of the achievements NREL delivered on behalf of DOE's Wind Energy Technologies Office (WETO) and other partners during the first and second quarters of Fiscal Year (FY) 2020.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

From the Starship Enterprise to Los Alamos National Laboratory: Artificial Intelligence and Machine Learning in the NSRC

Artificial Intelligence (AI) conjures up different emotions in different people. Some view it with fear, imagining a malevolent AI similar to Skynet in the Terminator movies. Others see something benevolent, such as the character Data in Star Trek: The Next Generation. Still others see it as a means to advance the frontiers of science, engineering, and technology to new levels not possible through traditional means. At the National Security Research Center (NSRC or the Center), we see AI as a tool to help us go through the monumental tasks we have in digitizing, cataloging, and searching our collections.

97 MATHEMATICS AND COMPUTING↗

Exploring the environmental drivers of human blastomycosis cases in the Midwestern United States

Blastomycosis is a fungal infection endemic to the eastern United States (US) and Canada caused by the inhalation of the fungi Blastomyces spp. Currently, the environmental drivers of disease dynamics are poorly understood. The goal of our work was to explore what environmental conditions are associated with the annual presence of blastomycosis cases, and therefore are potentially explanatory of the ecological niche of Blastomyces. We examined the relationships between reported cases of blastomycosis in three Midwestern US states (Michigan, Minnesota, and Wisconsin) from 2007–2017 in relation to eleven hypothesized environmental conditions, including climate, stream and soil mineral content, and land cover variables. Then, we fit logistic regression models to explore the relationships between the environmental variables and yearly blastomycosis case occurrence. Mean soil moisture, stream sediment mercury content, percent of water within the county, and woody wetlands land cover were all positively associated with the presence of annual cases, with woody wetlands having the most consistent signal across the three states. We also found significant differences in the likelihood of case presence between US states that were not explained by the variables in our model, suggesting state-level differences in case reporting and disease awareness. Our results provide a perspective on potential biological hypotheses to further test regarding environmental controls on the life cycle and ecological niche of Blastomyces.

54 ENVIRONMENTAL SCIENCES↗

High-Resolution Spatio-Temporal Estimation of Net Ecosystem Exchange in Ice-Wedge Polygon Tundra Using In Situ Sensors and Remote Sensing Data

Land-atmosphere carbon exchange is known to be extremely heterogeneous in arctic ice-wedge polygonal tundra regions. In this study, a Kalman filter-based method was developed to estimate the spatio-temporal dynamics of daytime average net ecosystem exchange (NEEday) at 0.5-m resolution over a 550 m by 700 m study site. We integrated multi-scale, multi-type datasets, including normalized difference vegetation indices (NDVIs) obtained from a novel automated mobile sensor system (or tram system) and a greenness index map obtained from airborne imagery. We took advantage of the significant correlations between NDVI and NEEday identified based on flux chamber measurements. The weighted average of the estimated NEEday within the flux-tower footprint agreed with the flux tower data in term of its seasonal dynamics. We then evaluated the spatial variability of the growing season average NEEday, as a function of polygon geomorphic classes; i.e., the combination of polygon types—which are known to present different degradation stages associated with permafrost thaw—and microtopographic features (i.e., troughs, centers and rims). Our study suggests the importance of considering microtopographic features and their spatial coverage in computing spatially aggregated carbon exchange.

54 ENVIRONMENTAL SCIENCES↗

Cabana: A Performance Portable Library for Particle-Based Simulations

Particle-based simulations are ubiquitous throughout many fields of computational science and engineering, spanning the atomistic level with molecular dynamics (MD), to mesoscale particle-in-cell (PIC) simulations for solid mechanics, device-scale modeling with PIC methods for plasma physics, and massive N-body cosmology simulations of galaxy structures, with many other methods in between (Hockney & Eastwood, 1989). While these methods use particles to represent significantly different entities with completely different physical models, many low-level details are shared including performant algorithms for short- and/or long-range particle interactions, multi-node particle communication patterns, and other data management tasks such as particle sorting and neighbor list construction. Cabana is a performance portable library for particle-based simulations, developed as part of the Co-Design Center for Particle Applications (CoPA) within the Exascale Computing Project (ECP) (Alexander et al., 2020). The CoPA project and its full development scope, including ECP partner applications, algorithm development, and similar software libraries for quantum MD, is described in (Mniszewski et al., 2021). Cabana uses the Kokkos library for on-node parallelism (Edwards et al., 2014; Trott et al., 2022), enabling simulation on multi-core CPU and GPU architectures, and MPI for GPU-aware, multi-node communication. Cabana provides particle simulation capabilities on almost all current Kokkos backends, including serial execution, OpenMP (including OpenMP-Target for GPUs), CUDA (NVIDIA GPUs), HIP (AMD GPUs), and SYCL (Intel GPUs), providing a clear path for the coming generation of accelerator-based exascale hardware. Cabana builds on Kokkos by providing new particle data structures and particle algorithms resulting in a similar execution policy-based, node-level programming model that is intended to be used in addition to the core Kokkos library within an application. Cabana is designed as an application and physics agnostic, but particle-specific toolkit which can either be used to generate a new application, or to be used as needed in existing applications at various levels of invasiveness including through interfaces that wrap user memory in existing data structures.

97 MATHEMATICS AND COMPUTING↗

Transforming Energy Through Computational Excellence: Advanced Scientific Visualization Reveals Energy Insights

The National Renewable Energy Laboratory's world-class researchers and analysts, along with the Insight Center (our state-of-the-art scientific visualization facility) make data immersion a reality, allowing users to step into and explore their data. With the rise of large, diverse, and distributed data sets, scientific visualization is now critical to the process of scientific discovery and to managing and analyzing data and extracting insights. NREL provides visualization capabilities and facilities that are supported by state-of-the-art equipment, leading-edge techniques, and expert staff.

data science↗

LANL HPC Data Center Monitoring: Summer 2023 Talk [Slides]

Data Center Monitoring is the understanding of everything that happens in the Data Center. Our Ultimate (and probably unreachable) Goal is a holistic view of the Data Center and an understanding of how everything is correlated. We get to that Understanding by collecting logs and metrics, analyzing data, displaying information for customers, and staying alert on events.

97 MATHEMATICS AND COMPUTING↗