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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 919 records · Page 51

Oxidants and oxidation in the Earth's atmosphere

The 1994 BOC Priestley Conference was held at Bucknell University in Lewisburg, Pennsylvania, from June 24 through June 27, 1994. This conference, managed by the American Chemical Society (ACS), was a joint celebration with the Royal Society of Chemistry (RSC) commemorating Joseph Priestley's arrival in the U.S. and his discovery of oxygen. The basic theme of the conference was 'Oxidants and Oxidation in the Earth's Atmosphere,' with a keynote lecture on the history of ozone. A distinguished group of U.S. and international atmospheric chemists addressed the issues dominating current research and policy agendas. Topics crucial to the atmospheric chemistry of global change and local and regional air pollution were discussed. The program for the conference included four technical sessions on the following topics: (1) Oxidative Fate of Atmospheric Pollutants; (2) Photochemical Smog and Ozone; (3) Stratospheric Ozone; and (4) Global Tropospheric Ozone.

Source record↗

Stewardship Best Practices for Improved Discovery and Reuse of Heterogeneous and Cross-Disciplinary Earth System Data

Some of the Earth system data products such as those from NASA airborne and field investigations (a.k.a. campaigns), are highly heterogeneous and cross-disciplinary, making the data extremely challenging to manage. For example, airborne and field campaign measurements tend to be sporadic over a period of time, with large gaps. Data products generated are of various processing levels and utilized for a wide range of inter- and cross-disciplinary research and applications. Data and derived products have been historically stored in a variety of domain-specific standard (and some non-standard) formats and in various locations such as NASA Distributed Active Archive Centers (DAACs), NASA airborne science facilities, field archives, or even individual scientists’ computer hard drives. As a result, airborne and field campaign data products have often been managed and represented differently, making it onerous for data users to find, access, and utilize campaign data. Some difficulties in discovering and accessing the campaign data originate from the incomplete data product and contextual metadata that may contain details relevant to the campaign (e.g. campaign acronym and instrument deployment locations), but tend to lack other significant information needed to understand conditions surrounding the data. Such details can be burdensome to locate after the conclusion of a campaign. Utilizing consistent terminology, essential for improved discovery and reuse, is also challenging due to the variety of involved disciplines. To help address the aforementioned challenges faced by many repositories and data managers handling airborne and field data, this presentation will describe stewardship practices developed by the Airborne Data Management Group (ADMG) within the Interagency Implementation and Advanced Concepts Team (IMPACT) under the NASA’s Earth Science Data systems (ESDS) Program.

best practices↗

Adapting to Artificial Intelligence

There is no need to be afraid of the emerging advances in artificial intelligence, says Argonne’s Marius Stan, Program Lead for Intelligent Materials Design. Although artificial intelligence may upend the job market in some ways, he says, it may also create new industries and positions as employees begin to designing and making robots. “It’s the problem and the solution,” Stan says. Meanwhile, artificial intelligence is playing a significant role in defining new research methods that bring us to resolution or discovery more quickly than ever before. Argonne is using or developing many of these technologies as AI extends to new branches of science and technology, sprouting new buds that represent various facets of human function and cognition — from learning to language processing to visual recognition.

97 MATHEMATICS AND COMPUTING↗

Rethinking Programming Paradigms in the QC-HPC Context

Programming for today’s quantum computers is making significant strides toward modern workflows compatible with high performance computing (HPC), but fundamental challenges still remain in the integration of these vastly different technologies. Quantum computing (QC) programming languages share some common ground, as well as their emerging runtimes and algorithmic modalities. In this short paper, we explore avenues of refinement for the quantum processing unit (QPU) in the context of many-tasks management, asynchronous or otherwise, in order to understand the value it can play in linking QC with HPC. Through examples, we illustrate how its potential for scientific discovery might be realized.

Wong, Elaine↗

Phenomenological opportunities at the EIC

This review presents a comprehensive overview of key phenomenological opportunities at the future Electron–Ion Collider (EIC), synthesizing discussions and collaborative research efforts developed within the Korean EIC community and the EICφ collaboration. We explore a diverse range of physics topics central to the EIC scientific program, including the multidimensional tomography of nucleon and nuclear structure, precision Quantum Chromodynamics studies through jet physics and event-shape observables, heavy quarkonium production as a probe of partonic dynamics, and the spectroscopy of exotic hadrons. Furthermore, we discuss the transformative potential of emerging technologies—specifically Machine Learning and Quantum Computing—as essential tools for addressing the computational challenges and maximizing the scientific discovery potential of the EIC era.

Electron–Ion collider↗

Scoreboard

Emerging HPC machines have given rise to enhanced compute power that far outstrips the machine's ability to save large scale results for post-processing. To combat this, in situ data analysis techniques are slowly being adopted. With in situ data management favoring workflows composed of multiple simulations and analyses connected in transit on heterogeneous machines, scientists and engineers need a tool that enables them to create data extracts, visualizations, and interactively monitor and steer their simulations. Scoreboard Phase II is a next generation analysis software that supports composite in transit workflows on heterogeneous architectures and restores interactivity to in situ data analysis through simulation monitoring and computational steering. Scoreboard provides a simulation dashboard with graphs of metrics over time, controls for setting custom simulation steering parameters, controls for managing the set of data extracts being produced in the simulation, as well as the ability to explore data extracts, all from a web browser. Realizing the vision outlined in this project required research into making a system that integrates end to end from simulations all the way to the user. In situ tools generally suffer from complexity and excessive software dependencies. Scoreboard, by contrast, is easy to build and integrate into simulation codes and it provides first class FORTRAN support. The Scoreboard library is capable of in situ and in transit data analysis that can produce data extracts commonly needed for Computational Fluid Dynamics (CFD) analysis. Simulations can transparently stage data in transit to a Scoreboard Endpoint program, which can accept their data and produce the requested data extracts. This lets simulations return to their work while the Endpoint works on the analysis. Efficiently staging the data at scale was a topic of this research. Scoreboard provides the means to let the user manage data extracts and monitor/steer many simulations from a web browser. This area of the research focused on discovery of in transit network components to expose and control their steering parameters within an interactive browser-based user interface that includes: system topology, gathered metrics, notifications, dynamically-generated steering controls, and exploration of visualization data products.

Whitlock, BradJoseph [Intelligent Light] (00000001↗

United States Human Access to Space, Exploration of the Moon and Preparation for Mars Exploration

In the past, men like Leonardo da Vinci and Jules Verne imagined the future and envisioned fantastic inventions such as winged flying machines, submarines, and parachutes, and posited human adventures like transoceanic flight and journeys to the Moon. Today, many of their ideas are reality and form the basis for our modern world. While individual visionaries like da Vinci and Verne are remembered for the accuracy of their predictions, today entire nations are involved in the process of envisioning and defining the future development of mankind, both on and beyond the Earth itself. Recently, Russian, European, and Chinese teams have all announced plans for developing their own next generation human space vehicles. The Chinese have announced their intention to conduct human lunar exploration, and have flown three crewed space missions since 2003, including a flight with three crew members to test their extravehicular (spacewalking) capabilities in September 2008. Very soon, the prestige, economic development, scientific discovery, and strategic security advantage historically associated with leadership in space exploration and exploitation may no longer be the undisputed province of the United States. Much like the sponsors of the seafaring explorers of da Vinci's age, we are motivated by the opportunity to obtain new knowledge and new resources for the growth and development of our own civilization. NASA's new Constellation Program, established in 2005, is tasked with maintaining the United States leadership in space, exploring the Moon, creating a sustained human lunar presence, and eventually extending human operations to Mars and beyond. Through 2008, the Constellation Program developed a full set of detailed program requirements and is now completing the preliminary design phase for the new Orion Crew Exploration Vehicle (CEV), the Ares I Crew Launch Vehicle, and the associated infrastructure necessary for humans to explore the Moon. Component testing is well underway, and integrated flight testing will begin in 2009. This white paper summarizes 3 years of Constellation Program progress and accomplishments, and it describes the foundation set for human lunar return in 2020.

Rhatigan, Jennifer L.↗

NASA's Space Launch System Moves into Testing and Integration

NASA's Space Launch System (SLS) has moved from design and manufacturing into testing and integration for its first flight as early as December 2019. In 2017, the NASA/industry team completed manufacturing of all major structural elements for the launch vehicle for Exploration Mission-I (EM-1 ). That work included shipping the first major flight hardware element to the launch site. The team processed all four RS-25 engines for stage integration, cast all 10 booster flight motor segments, and manufactured all five major sections of the core stage. The program also completed major structural work on the B-2 test stand at Stennis Space Center, which will be used for the core stage "green run" test; delivered the core stage and engine simulators used for training; and much of the transportation equipment for the core stage. Engineers completed structural testing on the upper stage/payload section of the vehicle as well as the engine section test article. In 2018, the program will deliver the Orion Stage Adapter (OSA) to Exploration Ground Systems (EGS) at KSC and send the test articles for the core stage liquid hydrogen tank, liquid oxygen tank, and intertank to NASA's Marshall Space Flight center for structural testing. Additionally, workers will begin the challenging process of integrating the major sections of the 212-foot EM-1 core stage. This work is focused on the initial Block 1 variant of SLS, capable of launching more than 70 metric tons (t) to low Earth orbit (LEO). However, work concurrently is underway on the Block lB variant, which will enable 105 t to LEO and more than 37t to trans-lunar injection (TLI). Block lB will be the workhorse vehicle of NASA's lunar exploration plans. As the needs of the nation's deep space exploration program grow, SLS performance is designed to evolve to a payload mass of 130 t to LEO and up to 45t to TLI. The advantages of this mass - as well as volume- are critical to the entire exploration architecture for deep space exploration. They translate to greater capability, greater infrastructure and operational simplicity, less overall mission risk, and opportunities to accomplish unprecedented exploration and discovery. This paper will discuss SLS progress to date and planned future work.

Honeycutt, John↗

Pipeline for Applications-Based Data Discovery

From disaster response and mitigation to monitoring water quality or protecting wildlife habitat, satellite Earth observation data can be applied in countless ways to meet pressing needs and benefit society. The crucial first step toward successful data application is data discovery. Potential users often know exactly what data they need--what Earth feature or phenomenon they need to observe, how frequently, and at what resolution or level of accuracy--but may still struggle to discover the existing observations that meet their needs. We have developed a pipeline to connect applications-based users to specific satellites and data collections within NASA's Earth observation program of record that are highly relevant to their data needs. This pipeline combines available information on satellite and instrument measurement characteristics with an innovative machine learning-based approach that identifies instruments that are most relevant to the feature or phenomenon of interest.

Katrina S Virts↗

Exploring the Quantum Universe: Pathways to Innovation and Discovery in Particle Physics

Now more than ever, particle physics is an international, even global, endeavor. The experiments needed to address the most profound questions of our field often require resources and cooperation at a global scale and can take more than a decade to design and build. We found the scope of our charge and the responsibility it represents humbling. Throughout our deliberations, we were aware that the impact of our recommendations would be felt past the end of the next decade and beyond the borders of the US particle physics program. The recommended program reflects the consensus of the panel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

RXTE Observations of Several Strong Flares from the TeV Blazar 1ES 1959+650

Responding to the RXTE Cycle 7 NASA Research Announcement, we proposed to use the RXTE X-ray telescopes to intensively observe the TeV Gamma-ray Blazars Markarian 421, Markarian 501, 1ES 1959+650 and 1ES 1426+428, when their X-ray or TeV Gamma-ray fluxes would surpass preset trigger thresholds. In May and June, 2002, the Blazar 1ES 1959+650 (z=0.048) showed a series of spectacular X-ray and gamma-ray flares. Following the detection of a strong Gamma-ray flare on May 16 and 17 with the VERITAS 10 m Cherenkov Telescope, we invoked intensive RXTE observations, as well as complementary radio, optical and GeV/TeV Gamma-ray observations. From May 18 to August 14, more than 150 ksec RXTE observations were taken, yielding a unique data set with simultaneous RXTE and GeV/TeV Gamma-ray coverage.We used the financial support from the ADP program of NASA s Office for Space Science to perform a comprehensive analysis of the RXTE data. We studied in detail the temporal and spectral characteristics of the source. We collected multiwavelength data from a large number of collaborators, and performed a detailed cross-correlation analysis. Eventually, we interpreted the results in the framework of a Synchrotron-Self Compton model. The most important discovery of our research has been the detection of an orphan gamma-ray flare , not associated with an X-ray flare. The discovery showed conclusively that most models invoked to describe the non-thermal emission from blazars are overly simplistic.

Krawczynski, Henric↗

Snowmass2021 Computational Frontier White Paper: Cosmological Simulations and Modeling

Powerful new observational facilities will come online over the next decade, enabling a number of discovery opportunities in the "Cosmic Frontier", which targets understanding of the physics of the early universe, dark matter and dark energy, and cosmological probes of fundamental physics, such as neutrino masses and modifications of Einstein gravity. Synergies between different experiments will be leveraged to present new classes of cosmic probes as well as to minimize systematic biases present in individual surveys. Success of this observational program requires actively pairing it with a well-matched state-of-the-art simulation and modeling effort. Next-generation cosmological modeling will increasingly focus on physically rich simulations able to model outputs of sky surveys spanning multiple wavebands. These simulations will have unprecedented resolution, volume coverage, and must deliver guaranteed high-fidelity results for individual surveys as well as for the cross-correlations across different surveys. The needed advances are as follows: (1) Development of scientifically rich and broadly-scoped simulations, which capture the relevant physics and correlations between probes (2) Accurate translation of simulation results into realistic image or spectral data to be directly compared with observations (3) Improved emulators and/or data-driven methods serving as surrogates for expensive simulations, constructed from a finite set of full-physics simulations (4) Detailed and transparent verification and validation programs for both simulations and analysis tools. (Abridged)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Towards Automated Generation of Chiplet-Based Systems

The Software Defined Architectures (SODA) Synthesizer is an open-source compiler-based tool able to automatically generate domain-specialized systems targeting Application- Specific Integrated Circuits (ASICs) or Field Programmable Gate Arrays (FPGAs) starting from high-level programming. SODA is composed of a high-level frontend, SODA-OPT, which leverages the multilevel intermediate representation (MLIR) framework to interface with productive programming tools (e.g., machine learning frameworks), identify kernels suitable for acceleration, and perform high-level optimizations, and of a state-of-the-art high-level synthesis backend, Bambu from the PandA framework, to generate custom accelerators. One specific application of the SODA Synthesizer is the generation of accelerators to enable ultra-low latency inference and control on autonomous systems for scientific discovery (e.g., electron microscopes, sensors in particle accelerators, etc.). This talk will discuss ongoing work on the SODA synthesizer to enable no-human-in-the-loop generation and design space exploration of the chiplets for highly specialized artificial intelligence accelerators. Connecting these highly specialized chiplets to general-purpose cores or programmable accelerators will allow to quickly deploy autonomous systems for scientific discovery.

Limaye, Ankur M.↗

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking programs. Both cloud and high-performance computing (HPC) resources have been used for large screens with molecular docking programs; while NVIDIA GPUs have dominated cloud and HPC resources, new vendors such as AMD and Intel are now entering the field, creating the problem of software portability across different GPUs. Ideally, software productivity could be maximized with portable programming models that are able to maintain high performance across architectures. While in many cases compiler directives have been used as an easy way to offload parallel regions of a CPU-based program to a GPU accelerator, they may also be an attractive programming model for providing portability across different GPU vendors, in which case the porting process may proceed in the reverse direction: from low-level, architecture-specific code to higher-level directive-based abstractions. MiniMDock is a new mini-application (miniapp) designed to capture the essential computational kernels found in molecular docking calculations, such as are used in phar-maceutical drug discovery efforts, in order to test different solutions for porting across GPU architectures. Here we extend MiniMDock to GPU offloading with OpenMP directives, and compare to performance of kernels using CUDA and HIP on NVIDIA and AMD GPUs, respectively, as well as across different compilers, exploring performance bottlenecks. We document this reverse-porting process, from highly optimized device code to a higher-level version using directives, compare code structure, and describe barriers that were overcome in this effort.

Thavappiragasam, Mathialakan↗

Plant Single-Cell Solutions for Energy and the Environment (Second Workshop Report)

Plants are important sources of energy and materials, and they collectively represent a critical component of Earth’s ecosystem. With increasing environmental stresses due to climate change and intensive agricultural practices, the need for resilient plants is greater than ever before. To secure plant resources for bioenergy, biomaterials, food, and ecosystem adaptation, a deeper understanding of the fundamental biology of plants at a cellular level is urgently needed. Plants contain a multitude of specialized cell types that compose tissues and organs. Pathogens often target specific cell types within plants, and the response of one cell to a particular stimulus is likely to be distinct from its neighbor because of underlying molecular and contextual differences. Understanding how these responses are distributed among cells, the main goal of single-cell approaches, will substantially enhance our ability to use targeted engineering for improving plant productivity and resilience. Furthermore, single-cell approaches are necessary to understand the interactions between plants and other ecosystem members such as fungi, bacteria, and archaea. Unlocking these gene-response mechanisms at a cellular level can improve our ability to adapt plants to environmental stresses, increasing their utility as feedstocks for biomaterials and bioenergy. Recent advances in high-throughput sequencing, mass spectrometry, microfluidics and miniaturization, artificial intelligence and machine learning, and bioinformatics have greatly improved our ability to detect and understand processes at a cellular level. In mammalian systems, single-cell transcriptomics has already led to many advances, such as newly identified cell types and cell-targeted treatment of diseases, and mass spectrometry-based single-cell proteomics has recently been demonstrated as a promising emerging technology. However, plant single-cell omics has lagged behind mammalian approaches due to the high cost of the technologies relative to available resources and to the innate biological features of plants, including the complexity of the cell wall and polyploidy. To better understand how single-cell methods could enable plant science, Lawrence Berkeley National Laboratory (Berkeley Lab) hosted a workshop on April 29, 2021, that brought together a diverse group of leaders in plant and/or single-cell biology. Attendees represented federal research programs and domestic and international academic institutions. During the workshop, three presenters described the current state of research in both experimental and computational approaches. While the focus of the workshop was on factors preventing plant biology researchers from fully adopting single-cell methodologies, workshop participants agreed that most barriers could be overcome with focused, strategic investment and coordinated efforts among institutions leading to significant scientific discoveries that would be difficult to obtain using more conventional technologies.

59 BASIC BIOLOGICAL SCIENCES↗

Development of VBA Tool for Document Term Search

Employees throughout different agencies such as NASA, have identified that the search of determined terms/words through documents, consume substantial research time of such. These types of searches are substantially limited towards one word in a one document identification; forward one, these usual types of searches lack efficiency & optimization through research aspects of work. Consequently, this reflects in the decrease productivity during work hours etc. The application of VBA (Visual Basic for Applications) is the programming language of Excel, which was conducted for the development of optimized tool for document term search. The project enables the search of single & multiple word/term search through single format documents for paragraph data extraction.

Ssytems Development↗

Snowmass2021 Cosmic Frontier White Paper: Cosmological Simulations for Dark Matter Physics

Over the past several decades, unexpected astronomical discoveries have been fueling a new wave of particle model building and are inspiring the next generation of ever-more-sophisticated simulations to reveal the nature of Dark Matter (DM). This coincides with the advent of new observing facilities coming online, including JWST, the Rubin Observatory, the Nancy Grace Roman Space Telescope, and CMB-S4. The time is now to build a novel simulation program to interpret observations so that we can identify novel signatures of DM microphysics across a large dynamic range of length scales and cosmic time. This white paper identifies the key elements that are needed for such a simulation program. We identify areas of growth on both the particle theory side as well as the simulation algorithm and implementation side, so that we can robustly simulate the cosmic evolution of DM for well-motivated models. We recommend that simulations include a fully calibrated and well-tested treatment of baryonic physics, and that outputs should connect with observations in the space of observables. We identify the tools and methods currently available to make predictions and the path forward for building more of these tools. A strong cosmic DM simulation program is key to translating cosmological observations to robust constraints on DM fundamental physics, and provides a connection to lab-based probes of DM physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

How do the research and public communities view biofuel development?

Understanding how public and research view biofuel development, especially the unsynchronized views, can explain the gaps between the actual biofuel production and consumption and the government mandates in the US. Applying a comparative text mining technique, these views are explored using 9924 news articles and 57,849 research abstracts. It is found both the public and research communities respond actively to major policy and incentive programs and market conditions and the public has been closely following important research advances. However, research and practice should be coordinated to achieve economies of scale for regular and alternative biofuels. Priority is particularly needed for policy research to support legislation and enforcement and remove technical barriers to commercialization; meanwhile, greater attention is needed to prompt the commercialization of mature technologies. In addition, sentiment analysis shows positive public perceptions in general and negative perceptions primarily stemming from fraud in biofuel tax-credit programs with minor concerns on unintended negative impacts of biofuel development and policy implementation issues. This study contributes to methodology by using cutting-edge text-mining techniques to the largest and most up-to-date datasets of public news articles and research publication abstracts so as to compare public and academic views on biofuel development. As a result, this study also contributes to knowledge discovery by providing new perspectives on biofuel development, which will support policy design and identify future research directions.

09 BIOMASS FUELS↗