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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 91 records · Page 5

cuZ-Checker: A GPU-Based Ultra-Fast Assessment System for Lossy Compressions

Lossy compression is becoming an indispensable technique for the success of today's extreme-scale high-performance computing projects that produce vast volumes of data during scientific simulations or instrument data acquisitions. Comprehensively understanding the compression quality and performance of different lossy compressors is critical to selecting the best-fit compressors and using them properly and efficiently in practice. A few lossy compression assessment tools (e.g., Z-checker) have been developed, but none of them support the execution in a GPU environment. This is a significant gap because many recent extreme-scale applications and lossy compressors (e.g., cuSZ) can run entirely within GPUs. In this work, we develop an efficient lossy compression measuring system (called cuZ-Checker) on the GPU platform, which aims to perform the lossy compression quality and performance assessment completely within the GPU environment. Our contribution is threefold. (1) We develop a novel GPU-based lossy compression measuring framework using a computation pattern-based design approach. This approach classifies the computing-intensive metrics into three categories based on their patterns which creates large opportunities for kernel fusion and data reuse. (2) For each pattern in cuZ-Checker, we develop a CUDA kernel and provide fine-grained optimizations to boost its performance. (3) We thoroughly evaluate our cuZ-checker on a V100 GPU using four real-world scientific application datasets. Experiments show that cuZ-Checker can significantly accelerate the overall lossy compression assessment performance by 23X similar to 31X compared with the OpenMP-based multithreading CPU performance. To the best of our knowledge, this is the first lossy compression measuring system designed for GPU devices.

GPU↗

Numerical simulation for the design of induction heating based radio frequency reactor for ethylene production

Ethylene is a vital petrochemical compound produced in vast amounts yearly by manufacturers that have enough scale to overcome the inherent thermodynamic inefficiencies of the process. In order to address the inefficiencies that prevent smaller scale or intermittent production ethylene, investigation of new production methods are required. In this work, we investigate the use of a radio frequency (RF) based reactor system that generates heat internally as opposed to applying heat externally via steam or direct combustion of fossil fuels. In order to guide the design of an electromagnetic based reactor system, we have created a macroscale model capable of capturing heat generation at the susceptors from a produced electromagnetic field and subsequent chemical reactions. Several susceptor and induction coil designs were investigated to better understand the performance of the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design of a high-resolution Rayleigh-Taylor experiment with the Crystal Backlighter Imager on the National Ignition Facility

The Rayleigh-Taylor (RT) instability affects a vast range of High Energy Density (HED) length scales, spanning from supernova explosions (10 13 m) to inertial confinement fusion (10 -6 m). In inertial confinement fusion, the RT instability is known to induce mixing or turbulent transition, which in turn cools the hot spot and hinders ignition. The fine-scale features of the RT instability, which are difficult to image in HED physics, may help determine if the system is mixing or is transitioning to turbulence. Earlier diagnostics lacked the spatial and temporal resolution necessary to diagnose the dynamics that occur along the RT structure. A recently developed diagnostic, the Crystal Backlighter Imager (CBI), [1,2] can now produce an x-ray radiograph capable of resolving the fine-scale features expected in these RT unstable systems. This paper describes an experimental design that adapts a well-characterized National Ignition Facility (NIF) platform to accommodate the CBI diagnostic. Simulations and synthetic radiographs highlight the resolution capabilities of the CBI in comparison to previous diagnostics. Furthermore, the improved resolution of the system can provide new observations to study the RT instability's involvement in mixing and the transition to turbulence in the HED regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Finding Extremely Compact Sources Using the ASKAP VAST Survey

VLBI observations of intraday variable (IDV) quasars found in the MASIV (Micro-Arcsecond Scintillation-Induced Variability) 5 GHz VLA Survey of 500 flat-spectrum sources in the northern sky have shown that these sources are extremely compact, often unresolved, on milliarcsecond scales, and more core-dominated than their non-IDV counterparts. VAST: an ASKAP Survey for Variables and Slow Transients, proposes to observe 10,000 square degrees of southern sky daily for 2 years in the VAST-Wide survey component. This is expected to reveal of order 30,000 compact sources brighter than 10 mJy showing refractive interstellar scintillation (the cause of centimeter-wavelength IDV) at the survey frequency of about 1.4 GHz. Many of these sources may be suitable astrometric calibrators for VLBI at higher frequencies.

Bignall, Hayley E.↗

Machine learning for reparameterization of multi-scale closures

Scientific machine learning (ML) is becoming increasingly useful in learning closure models for multi-scale physics problems; however, many ML approaches require a vast array of training data and can struggle with generalization and interpretability. Here, rather than learning an entire closure operator, we adopt an existing reduced-dimension model of the microphysics and learn an optimal re-parameterization of the solver. We demonstrate two approaches for training the reduced dimension closure model (1) an a priori method that optimizes the closure parameterization and the neural network parameters separately and (2) an a posteriori method that simultaneously optimizes both. Using the simulation of biomass pyrolysis as a motivating example, we show that the a posteriori method achieves better target losses and is less dependent on training dataset size for generalizability. We then demonstrate the impact that implementing this reparameterization has at the macroscale, showing improved predictive performance with no modification to the underlying macroscale solvers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Human activities shape global patterns of decomposition rates in rivers

Rivers and streams contribute to global carbon cycling by decomposing immense quantities of terrestrial plant matter. However, decomposition rates are highly variable and large-scale patterns and drivers of this process remain poorly understood. Using a cellulose-based assay to reflect the primary constituent of plant detritus, we generated a predictive model (81% variance explained) for cellulose decomposition rates across 514 globally distributed streams. A large number of variables were important for predicting decomposition, highlighting the complexity of this process at the global scale. Predicted cellulose decomposition rates, when combined with genus-level litter quality attributes, explain published leaf litter decomposition rates with high accuracy (70% variance explained). Finally, our global map provides estimates of rates across vast understudied areas of Earth and reveals rapid decomposition across continental-scale areas dominated by human activities.

54 ENVIRONMENTAL SCIENCES↗

A Dive into Underwater Solar Cells

Our oceans are vast, mostly unexplored and difficult to monitor. Large-scale implementation of a fully autonomous 'Internet of Underwater Things' would transform how we collect and share data from this domain; however, deployment is prohibited by the lack of persistent power sources. In principle, underwater solar-energy generation can complement the use of batteries and provide a solution, although dedicated research is needed since traditional silicon solar cells do not perform well underwater due to water's strong absorption of near-infrared light. In this Perspective we present examples of solar-powered underwater applications and discuss which types of solar-harvesting materials could be appropriate, including GaInP variants, CdTe, organic semiconductors, and perovskite semiconductors. We also discuss challenges that need to be addressed, such as the development of effective antifouling coatings and new certification standards given that underwater conditions are starkly different from those in terrestrial environments.

antifouling coatings↗

Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

Identifying gene targets for enhancing metabolite production in metabolic engineering is challenging due to the vast research literature and the approximation in genome-scale metabolic model (GEM) simulations. Here, to address this, we propose the Gene-Metabolite Association Prediction task, which automates gene discovery for given metabolite-gene pairs, accompanied by a benchmark dataset of 2474 metabolites and 1947 genes for Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is complicated by incomplete metabolic graphs and metabolic heterogeneity. We introduce an Interactive Knowledge Transfer mechanism based on Metabolism Graphs (IKT4Meta) to enhance prediction accuracy by integrating cross-metabolism knowledge. Using Pretrained Language Models (PLMs) to generate inter-graph links mitigates heterogeneity issues, while intra-graph links are propagated via these anchors. Gene-metabolite predictions are then performed on the enriched graphs integrating multiple microorganisms’ knowledge. Experiments show that IKT4Meta outperforms baselines by up to 12.3% in link prediction.

59 BASIC BIOLOGICAL SCIENCES↗

Comprehensive system models: Strategies for evaluation

The task of evaluating comprehensive earth system models is vast involving validations of every model component at every scale of organization, as well as tests of all the individual linkages. Even the most detailed evaluation of each of the component processes and the individual links among them should not, however, engender confidence in the performance of the whole. The integrated earth system is so rich with complex feedback loops, often involving components of the atmosphere, oceans, biosphere, and cryosphere, that it is certain to exhibit emergent properties very difficult to predict from the perspective of a narrow focus on any individual component of the system. Therefore, a substantial share of the task of evaluating comprehensive earth system models must reside at the level of whole system evaluations. Since complete, integrated atmosphere/ ocean/ biosphere/ hydrology models are not yet operational, questions of evaluation must be addressed at the level of the kinds of earth system processes that the models should be competent to simulate, rather than at the level of specific performance criteria. Here, we have tried to identify examples of earth system processes that are difficult to simulate with existing models and that involve a rich enough suite of feedbacks that they are unlikely to be satisfactorily described by highly simplified or toy models. Our purpose is not to specify a checklist of evaluation criteria but to introduce characteristics of the earth system that may present useful opportunities for model testing and, of course, improvement.

Field, Christopher↗

Building an AI-native Research Ecosystem for Experimental Particle Physics: A Community Vision

Experimental particle physics seeks to understand the universe by probing its fundamental particles and forces and exploring how they govern the large-scale processes that shape cosmic evolution. This whitepaper presents a vision for how Artificial Intelligence (AI) can accelerate discovery in this field. We outline grand challenges that must be addressed to enable transformative breakthroughs and describe how current and planned experimental facilities can implement this vision to advance our understanding of the vast and complex physical world from the smallest to the largest scales. We show how facilities currently under construction, such as the HL-LHC, DUNE and soon EIC, can both benefit from and serve as proving grounds for this vision, while also enabling a longer-term goal for how future experiments -- like FCC-ee at CERN, IceCube-Gen2, a Muon Collider in the U.S., and smaller to mid-scale projects -- can be fully AI-native. We describe how a truly national-scale collaboration, jointly managed across large funding partners, and involving both DOE laboratories and universities, can make this happen.

Aarrestad, Thea Klaeboe [ETH, Zurich (main)]↗

Development of Machine Learning Algorithms to Segment and Study Images of Astromaterial Samples

Introduction: Micrometer-scale chemical analyses of chondritic meteorites and mission-returned asteroid samples can reveal details of the physical and chemical processes operating in the early solar system, including processes that gave rise to planets, moons, and minor bodies. These primitive astromaterials are comprised of chondrules, calcium- and aluminum-rich inclusions (CAI), and many other silicates, oxides, metals, sulfides, and fine-grained materials. The chemical and mineralogical complexity of these samples, vast populations of different components, and heterogeneity across mm to km scales, all limit our understanding of the origin and evolution of these materials. Here, we describe recent efforts to use machine learning techniques to automate the segmentation of chemical maps of chondritic meteorites, designed to aid studies of asteroid samples returned by spacecraft. By automating the task of segmentation it will become possible to rapidly analyze and interpret the sizes, shapes, mineralogy, chemistry, and other properties of every chondrule, calcium- and aluminum-rich inclusion (CAI) and other clast within and between asteroid samples. Sample return missions significantly accelerate and heighten the need to develop such new data analysis techniques, and associated data repositories. Techniques: Neural networks require abundant training data, i.e. images which have been segmented by a human user. We have manually segmented data available from previous petrologic and chemical work at NASA Johnson Space Center and the American Museum of Natural History [1-4]. These data were derived from energy- and wavelength-dispersive X-ray spectroscopy (EDS, WDS) mapping of samples from many chondrite groups. The Deeplabv3+ [5] neural network architecture was trained on human-labeled masks and used to create machine-labeled masks. Several different algorithms were investigated, with inputs ranging from common RGB image formats through to hyperspectral datasets, with raw data comprising greyscale maps of Mg, Ca, and Al, with or without Si, Fe, Ti for both EDS and WDS data, and extending to other elements in EDS only. Each greyscale image was paired with a binary mask for each labelled particle type. Results: The trained algorithms can segment (Fig 1), classify, and measure the dimensions of thousands of particles in chemical maps of a standard 1-inch round petrographic section in seconds to minutes, rather than many hours needed by a human. Accuracy of the algorithms varied from chondrite to chondrite and across particle types. Further results and details of the algorithms will be presented at the workshop. Future directions: Machine learning has the potential to revolutionize our understanding of complex particle populations contained within primitive astromaterial, with segmentation being a critical first step. Example applications include better understanding of particle transport, nebular reservoirs, parent body accretion, and a deeper understanding of the relationships between particle populations and bulk rock elemental and isotopic compositions. In addition to benefits that machine learning can bring to individual researchers, building a community data repository of thousands to millions of particles across hundreds of samples will open up many other possibilities. For example, with a large enough dataset it will be possible to search for exceptionally closely matching particles across disparate samples. Such a capability would enable a single CAI from OSIRISREx or Hayabusa/II samples to be matched to chondritic CAIs that exhibit near-identical size, texture, and mineralogy, down to the level of similar core phenocrysts, zonation, and rim sequences. Such comparative analyses will help to disentangle precursor chemistry, chronology, gas/dust reservoirs during heating, and accretion. Such an endeavor would be impossible without machine learning and a large community data repository of astromaterial chemical/mineralogic maps.

Machine Learning↗

Rethink hydrologic modeling framework with AI integrating multi-processes across scales

The proposed work is to develop a new hydrologic modeling framework that leverages vast amount earth and human system observational data, AI technologies, and data-driven information flows to improve predictability of hydrologic system that involves hydrologic, terrestrial, and biogeochemical processes and their interactions with the human and atmosphere systems.

54 ENVIRONMENTAL SCIENCES↗

Machine Learning Accelerates Innovation in Perovskite Manufacturing Scale-up (Final Technical Report (FTR))

We propose to address the challenge of the vast parameter space associated with perovskite manufacturing optimization, by developing a machine learning (ML)-assisted optimization framework for a scalable perovskite PV manufacturing tool. This framework will be interpretable, sequential, and rapidly adaptable to upgraded systems (e.g., via transfer learning). The tool is an open-air rapid spray plasma process (RSPP) of perovskite films, which has already been established at Stanford and is a unique platform to test and deploy the proposed ML-guided framework because the RSPP technique is able to conduct optimization experiments with a high throughput, and easily adjust a wide range of process variables.

14 SOLAR ENERGY↗

New Horizons in Cosmology with Spectral Distortions of the Cosmic Microwave Background

Following the pioneering observations with COBE in the early 1990s, studies of the cosmic mi- crowave background (CMB) have primarily focused on temperature and polarization anisotropies. CMB spectral distortions – tiny departures of the CMB energy spectrum from that of a perfect blackbody – provide a second, independent probe of fundamental physics, with a reach deep into the primordial Universe. The theoretical foundation of spectral distortions has seen major advances in recent years, highlighting the immense potential of this emerging field. Spectral distortions probe a fundamental property of the Universe – its thermal history – thereby providing additional insight into processes within the cosmological standard model(I) (CSM) as well as new physics beyond. Spectral distortions are an important tool for understanding inflation and the nature of dark matter. They shed new light on the physics of recombination and reionization, both prominent stages in the evolution of our Universe, and furnish critical information on baryonic feedback processes, in addition to probing primordial correlation functions at scales inaccessible to other tracers. In principle the range of signals is vast: many orders of magnitude of discovery space can be explored by detailed observations of the CMB energy spectrum. Several CSM signals are predicted and provide clear experimental targets that are observable with present-day technology. Confirmation of these signals would extend the reach of the CSM by orders of magnitude in physical scale as the Universe evolves from the initial stages to its present form. Their absence would pose a huge theoretical challenge, immediately pointing to new physics. Here, we advocate for a dedicated effort to measure CMB spectral distortions at the largest angular scales (greater than approximately 1°) within the ESA Voyage 2050 Program. We argue that an L-class mission with a pathfinder would allow a precise measurement of all the expected CSM distortions. With an M-class mission, the primordial distortions (created at z >~ 10(exp 3)) would still be detected at modest significance, while the late-time distortions will continue to be measured to high accuracy. Building on the heritage of COBE/FIRAS, a spectrometer that consists of multiple, cooled (approximately equal to 0.1 K), absolutely-calibrated Fourier Transform Spectrometers (FTS) with wide frequency coverage (ν approximately equal to 10 GHz to a few x THz) and all-sky spectral sensitivity at the level of 0.1 0.5 Jy/sr would be the starting point for the M-class option. A scaled and further optimized version of this concept is being envisioned as the L-class option. Such measurements can only be done from space and would deliver hundreds of absolutely-calibrated maps of the Universe at large scales, opening numerous science opportunities for cosmology and astrophysics. This will provide independent probes of inflation, dark matter and particle physics, recombination and the energy output of our Universe from at late times, turning the long-standing spectral distortion limits of COBE/FIRAS into clear detections.

Chluba, J.↗

Hierarchically ordered porous transition metal compounds from one-pot type 3D printing approaches

Solution-based soft matter self-assembly (SA) promises unique material structures and properties from approaches including additive manufacturing/three-dimensional (3D) printing. The 3D printing of periodically ordered porous functional inorganic materials through SA unfolding during printing remains a major challenge, however, due to the often vastly different ordering kinetics of separate processes at different length scales. Here, we report a “one-pot” direct ink writing process to produce hierarchically porous transition metal nitrides and precursor oxides from block copolymer (BCP) SA. Heat treatment protocols identified in various environments enable mesostructure retention in the final crystalline materials with periodic lattices on three distinct length scales. Moreover, embedded printing enables the first BCP directed mesoporous non-self-supporting helical oxides and nitrides. Resulting nitrides are superconducting, with record nanoconfinement-induced upper critical fields correlated with BCP molar mass and record surface areas for compound superconductors. Results suggest scalable porous functional inorganic material formation approaches for applications including catalysis, sensing, and microelectronics.

36 MATERIALS SCIENCE↗

Fracture Mechanics—Theory, Modeling and Applications

The field of fracture mechanics was developed during the throes of World War II, and since then, it has been a very active area of research. This is a very energetic and vibrant field because fracture processes are relevant for a vast range of engineering applications spanning different temporal and length scales. Depending on the application, material fracture and fragmentation may be either a desirable feature (for example, for the purpose of hydraulic fracturing operations), or something that is to be avoided at all costs (for example, in key components of mechanical systems). In some other instances, fractures are already present and must be accommodated through novel design (for example, in the case of earthquake ruptures occurring in the Earth’s crust). Because of this wide spectra of motivation, there is a continuous need for the fracture mechanics research community to gain more insight on how fractures are created, evolve, and interact with themselves and with material microstructures. In addition, there are still many remaining questions about how fracture propagation, growth, and interaction impact overall material behavior, and how to develop accurate models to predict this behavior.

36 MATERIALS SCIENCE↗

Merging Ocean Color Data from Multiple Missions

Oceanic phytoplankton may play an important role in the cycling of carbon on the Earth, through the uptake of carbon dioxide in the process of photosynthesis. Although they are ubiquitous in the global oceans, their abundances and dynamics are difficult to estimate, primarily due to the vast spatial extent of the oceans and the short time scales over which their abundances can change. Consequently, the effects of oceanic phytoplankton on biogeochemical cycling, climate change, and fisheries are not well known. In response to the potential importance of phytoplankton in the global carbon cycle and the lack of comprehensive data, the National Aeronautics and Space Administration (NASA) and the international community have established high priority satellite missions designed to acquire and produce high quality ocean color data. Seven of the missions are routine global observational missions: the Ocean Color and Temperature Sensor (OCTS), the Polarization and Directionality of the Earth's Reflectances sensor (POLDER), Sea-viewing Wide Field-of-view Sensor (SeaWiFS), Moderate Resolution Imaging Spectrometer-AM (MODIS-AM), Medium Resolution Imaging Spectrometer (MERIS), Global Imager (GLI), and MODIS-PM. In addition, there are several other missions capable of providing ocean color data on smaller scales. Most of these missions contain the spectral band complement considered necessary to derive oceanic pigment concentrations (i.e., phytoplankton abundance) and other related parameters. Many contain additional bands that can provide important ancillary information about the optical and biological state of the oceans. Any individual ocean color mission is limited in ocean coverage due to sun glint and clouds. For example, one of the first proposed missions, the SeaWiFS, can provide about 45% coverage of the global ocean in four days and only about 15% in one day.

Gregg, Watson W.↗

Merging Ocean Color Data From Multiple Missions

Oceanic phytoplankton may play an important role in the cycling of carbon on the Earth, through the uptake of carbon dioxide in the process of photosynthesis. Although they are ubiquitous in the global oceans, their abundances and dynamics are difficult to estimate, primarily due to the vast spatial extent of the oceans and the short time scales over which their abundances can change. Consequently, the effects of oceanic phytoplankton on biogeochemical cycling, climate change, and fisheries are not well known. In response to the potential importance of phytoplankton in the global carbon cycle and the lack of comprehensive data, NASA and the international community have established high priority satellite missions designed to acquire and produce high quality ocean color data (Table 6.1). Ten of the missions are routine global observational missions: the Ocean Color and Temperature Sensor (OCTS), the Polarization and Directionality of the Earth's Reflectances sensor (POLDER), Sea-viewing Wide Field-of-view Sensor (SeaWiFS), Moderate Resolution Imaging Spectrometer-AM (MODIS-AM), Medium Resolution Imaging Spectrometer (MERIS), Global Imager (GLI), MODIS-PM, Super-GLI (S-GLI), and the Visible/Infrared Imager and Radiometer Suite (VIIRS) on the NPOESS Preparatory Project (NPP) and the National Polar-orbiting Operational Environmental Satellite System (NPOESS). In addition, there are several other missions capable of providing ocean color data on smaller scales. Most of these missions contain the spectral band complement considered necessary to derive oceanic chlorophyll concentrations and other related parameters. Many contain additional bands that can provide important ancillary information about the optical and biological state of the oceans.

Gregg, Watson W.↗