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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

ScaWL: Scaling k-WL (Weisfeiler-Lehman) Algorithms in Memory and Performance on Shared and Distributed-Memory Systems

The k-dimensional Weisfeiler-Lehman (k-WL) algorithm—developed as an efficient heuristic for testing if two graphs are isomorphic—is a fundamental kernel for node embedding in the emerging field of graph neural networks. Unfortunately, the k-WL algorithm has exponential storage requirements, limiting the size of graphs that can be handled. This work presents a novel k-WL scheme with a storage requirement orders of magnitude lower while maintaining the same accuracy as the original k-WL algorithm. Due to the reduced storage requirement, our scheme allows for processing much bigger graphs than previously possible on a single compute node. For even bigger graphs, we provide the first distributed-memory implementation. Our k-WL scheme also has significantly reduced communication volume and offers high scalability. Our experimental results demonstrate that our approach is significantly faster and has superior scalability compared to five other implementations employing state-of-the-art techniques.

algorithims↗

In silico evolution of oscillatory gene dynamics formerly Code sharing for a manuscript to be submitted to the journal iScience

The disclosure is about the numerical simulations and visualization implemented in general-purpose language Python and C++. The simulations were in-silico evolution of hypothetical gene circuits that potentially admit oscillatory dynamics. The aim of the study, which was invited to be submitted to a special issue "Timekeeping, noise and development across kingdoms" in the journal iScience, is to demonstrate that in contrast to common belief, noise in gene expression dynamics could significantly facilitate the evolutionary process for searching oscillatory dynamics, which are essential for developing circadian rhythm in living organisms.

Lin, Yen Ting↗

Comparative metabolomic analysis reveals shared and unique chemical interactions in sponge holobionts

Sponges are ancient sessile metazoans, which form with their associated microbial symbionts a complex functional unit called a holobiont. Sponges are a rich source of chemical diversity; however, there is limited knowledge of which holobiont members produce certain metabolites and how they may contribute to chemical interactions. To address this issue, we applied non-targeted liquid chromatography tandem mass spectrometry (LC-MS/MS) and gas chromatography mass spectrometry (GC-MS) to either whole sponge tissue or fractionated microbial cells from six different, co-occurring sponge species. Several metabolites were commonly found or enriched in whole sponge tissue, supporting the notion that sponge cells produce them. These include 2-methylbutyryl-carnitine, hexanoyl-carnitine and various carbohydrates, which may be potential food sources for microorganisms, as well as the antagonistic compounds hymenialdisine and eicosatrienoic acid methyl ester. Metabolites that were mostly observed or enriched in microbial cells include the antioxidant didodecyl 3,3'-thiodipropionate, the antagonistic compounds docosatetraenoic acid, and immune-suppressor phenylethylamide. This suggests that these compounds are mainly produced by the microbial members in the sponge holobiont, and are potentially either involved in inter-microbial competitions or in defenses against intruding organisms. This study shows how different chemical functionality is compartmentalized between sponge hosts and their microbial symbionts and provides new insights into how chemical interactions underpin the function of sponge holobionts.

59 BASIC BIOLOGICAL SCIENCES↗

kokkos-fft: A shared-memory FFT for the Kokkos ecosystem

kokkos-fft provides a unified, performance-portable interface for Fast Fourier Transforms (FFTs) within the Kokkos ecosystem (C. Trott et al., 2021). It seamlessly integrates with leading local FFT libraries including FFTW, cuFFT, rocFFT, and oneMKL. Designed for simplicity and efficiency, kokkos-fft offers a user experience akin to numpy.fft for in-place and out-of-place transforms, while leveraging the raw speed of vendor-optimized libraries. A demonstration solving 2D Hasegawa-Wakatani turbulence with the Fourier spectral method illustrates how kokkos-fft can deliver significant speedups over Python-based alternatives without drastically increasing code complexity, empowering researchers to perform high-performance FFTs simply and effectively.

97 MATHEMATICS AND COMPUTING↗

Realizing High-Accuracy Low-Cost Measurement and Verification for Deep Cost Savings (BPA Cost Share CRADA)

Developed practitioner workflows that integrate advanced M&V tools with supplementary automated routines for non-routine adjustments and for quantification of savings uncertainty to indicate rigor. Demonstrated these workflows with Seattle City Light, in collaboration with their implementers and evaluators – determine labor and time/cost savings, and uncertainty of the results obtained. Engaged the Pacific Northwest regulatory community to determine acceptance criteria for the required accuracy and reporting of advanced whole-building M&V. Documented the findings to facilitate broad industry uptake of the solutions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Ultimate Safety Share [Slides]

The presentation discusses the history of safety at Los Alamos National Laboratory including fatal accidents that have occurred.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Sharing the Sun: Understanding Community Solar Deployment and Subscriptions

This presentation reviews trends in the national community solar market, with project data through 2019 and subscriber data through 2018. It summarizes data on community solar deployment over time, by state, and by project characteristics. It also examines how market factors have shaped community solar deployment and explores data on the community solar value proposition to subscribers.

14 SOLAR ENERGY↗

Sharing the Sun: Community Solar Deployment, Subscription Savings, and Energy Burden Reduction [Slides]

This presentation reviews trends in the national community solar market, with project and subscriber data through 2020. It summarizes data on community solar deployment over time, by state, and by project characteristics. It also examines how market factors have shaped community solar deployment and explores data on the community solar value proposition to subscribers, energy burden, and affordable housing benefits.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Autonomous Ride-Share Fleet to Reduce Traffic Congestion for Suburban Commuters

As urbanization progresses in areas across the United States, traffic is worsening as more personal vehicles are required to ferry suburban commuters between home and work. Many suburban commuters would prefer public transportation over driving a personal vehicle to use their commute time more efficiently, but existing infrastructure can make conventional public transit inconvenient or impossible. There is a need for a wide-spread system that can safely, conveniently, and cost-effectively transport suburban commuters to and from work. This will decrease congestion on roads, allowing suburban areas to continue growing in population without dramatically increasing commute times. The customer (suburban commuters) needs a system that enables them to commute to and from work more efficiently. This efficiency can be thought of as both the total time spent commuting, as well as the quality of that time spent commuting. The “quality” of the time is subjective, but in general is a metric of the ability of the commuter to focus on things other than traveling during the commute process. The new system should decrease the total time commuting, but increase the quality of the commute time. Collectively Americans spend a total of 55.2 minutes per day commuting, up from 43.4 minutes per day in 1980. Additionally, as of 2013, 76% of Americans get to work by driving alone, up from 64% in 19803. The 40-hour work-week was established in the U.S in 1940 and has not changed since. The result is that Americans spend an increasing amount of time commuting and at a lower quality, but the standard work week has not changed. This decreases the amount of time adults in the U.S have for leisure, friends, and family. A system solution has the potential to improve this, particularly with the advent of new and future technologies. This system is picked specifically for suburban commuters, as they have the highest potential to be helped.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Environmental Share: Damage to a Cultural Site from Off-Road Driving [Slides]

Cultural resources, including archaeological sites and historic buildings, at Los Alamos National Laboratory are protected under the National Historic Preservation Act. Disclosure of archaeological site locations is prohibited by law, which can make it difficult to communicate issues or identify where these sites occur. The Laboratory Cultural Resources Management Plan describes how we work to manage and protect these resources: https://permalink.lanl.gov/object/tr?what=info:lanlrepo/lareport/LA-UR-19-21590. Recently, our cultural resources staff identified vehicle damage to a site . There were no active projects occurring in this area, but evidence that vehicles had been driving over the site was visible. It is not possible to mark the locations of all cultural resources as there are about 2000 on Laboratory property.

54 ENVIRONMENTAL SCIENCES↗

Did you know the Lab and its first director share a birthday month? A look back at Oppenheimer’s wartime legacy through historical items in our collections

Many birthdays ago, at only 38 years old and with no previous administrative experience, J. Robert Oppenheimer accepted responsibility for a national security mission of unprecedented scale. His charge, handed down by Manhattan Project director General Leslie R. Groves, was to lead a team of the world’s foremost scientific minds in developing the first atomic bomb. Under Oppenheimer’s leadership, a community of over 6,000 scientists, engineers, and other personnel living and working at the top-secret lab in Los Alamos completed their task in only 27 months, delivering the world’s first two atomic weapons to the U.S. military. In honor of what would have been Oppenheimer’s 119th birthday (on April 22), the National Security Research Center remembers his contributions as an administrator and scientist and the scope of his legacy as the first director of the Lab through items in our unclassified collections.

99 GENERAL AND MISCELLANEOUS↗