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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

Return to Flight: Crew Activities Resource Reel 1 of 2

The crew of the STS-114 Discovery Mission is seen in various aspects of training for space flight. The crew activities include: 1) STS-114 Return to Flight Crew Photo Session; 2) Tile Repair Training on Precision Air Bearing Floor; 3) SAFER Tile Inspection Training in Virtual Reality Laboratory; 4) Guidance and Navigation Simulator Tile Survey Training; 5) Crew Inspects Orbital Boom and Sensor System (OBSS); 6) Bailout Training-Crew Compartment; 7) Emergency Egress Training-Crew Compartment Trainer (CCT); 8) Water Survival Training-Neutral Buoyancy Lab (NBL); 9) Ascent Training-Shuttle Motion Simulator; 10) External Tank Photo Training-Full Fuselage Trainer; 11) Rendezvous and Docking Training-Shuttle Engineering Simulator (SES) Dome; 12) Shuttle Robot Arm Training-SES Dome; 13) EVA Training Virtual Reality Lab; 14) EVA Training Neutral Buoyancy Lab; 15) EVA-2 Training-NBL; 16) EVA Tool Training-Partial Gravity Simulator; 17) Cure in Place Ablator Applicator (CIPAA) Training Glove Vacuum Chamber; 16) Crew Visit to Merritt Island Launch Area (MILA); 17) Crew Inspection-Space Shuttle Discovery; and 18) Crew Inspection-External Tank and Orbital Boom and Sensor System (OBSS). The crew are then seen answering questions from the media at the Space Shuttle Landing Facility.

Source record↗

Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software

The material space for catalyst discovery is expansive. Volcano curves are traditionally employed to provide physical insights into optimal catalyst characteristics for new material selection. Their generation lies on a single descriptor picked using expert knowledge. Here we present DescMAP, a Python-based software, to automate the selection of descriptors, the generation of volcano maps, and the identification of active sites for structure-sensitive reactions. Here, we consider traditional energy-based and geometric descriptors for structure-sensitive reactions. DescMAP is integrated with the Virtual Kinetic Laboratory (VLab) to provide multiple functionalities. It inputs spreadsheets or template files for flexibility and outputs interactive graphs for post-processing. We demonstrate its features using the non-oxidative dehydrogenation of ethane to ethylene over (111) closed-packed surfaces and the methane total oxidation over various Pt facets. It can be easily applied to other complex chemistries and achieves quick screening of potential catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insights from a workplace SARS-CoV-2 specimen collection program, with genomes placed into global sequence phylogeny

In 2020, the Department of Energy established the National Virtual Biotechnology Laboratory (NVBL) to address key challenges associated with COVID-19. As part of that effort, Pacific Northwest National Laboratory (PNNL) established a capability to collect and analyze specimens from employees who self-reported symptoms consistent with the disease. During the spring and fall of 2021, 688 specimens were screened for SARS-CoV-2, with 64 (9.3%) testing positive using reverse-transcriptase quantitative PCR (RT-qPCR). Of these, 36 samples were released for research. All 36 positive samples released for research were sequenced and genotyped. Here, the relationship between patient age and viral load as measured by Ct values was measured and determined to be only weakly significant. Consensus sequences for each sample were placed into a global phylogeny and transmission dynamics were investigated, revealing that the closest relative for many samples was from outside of Washington state, indicating mixing of viral pools within geographic regions.

59 BASIC BIOLOGICAL SCIENCES↗

Rapid Acceleration of Diagnostics: RADx (Tech + ATP)

This virtual symposium was held to highlight the impact the U.S. Department of Energy’s (DOE) National Virtual Biotechnology Laboratory (NVBL) has had utilizing the unique capabilities of the DOE to tackle the science and technology challenges associated with COVID-19, and to discuss areas in which the NVBL can have impact in the future. With perspectives from Chris Fall, Director, Office of Science, DOE, and William A. Bookless, Principal Deputy Administrator of the National Nuclear Security Administration, the event featured Presentations from lead investigators reporting progress in: Epidemiological modeling, Therapeutics, Testing, Understanding transport of the virus, and Solving issues around supply chain challenges. In addition, keynote speakers from outside the NVBL discussed the upcoming science and technology needs in computing, testing and surveillance, and vaccines. The event was aimed at the S&T community, media, and general public.

Tromberg, Bruce J.↗

Computing and AI for Pandemic Response: Looking Forward

This virtual symposium was held to highlight the impact the U.S. Department of Energy’s (DOE) National Virtual Biotechnology Laboratory (NVBL) has had utilizing the unique capabilities of the DOE to tackle the science and technology challenges associated with COVID-19, and to discuss areas in which the NVBL can have impact in the future. With perspectives from Chris Fall, Director, Office of Science, DOE, and William A. Bookless, Principal Deputy Administrator of the National Nuclear Security Administration, the event featured Presentations from lead investigators reporting progress in: Epidemiological modeling, Therapeutics, Testing, Understanding transport of the virus, and Solving issues around supply chain challenges. In addition, keynote speakers from outside the NVBL discussed the upcoming science and technology needs in computing, testing and surveillance, and vaccines. The event was aimed at the S&T community, media, and general public.

Brase, James M.↗

TA-55 Plutonium Facility Fact Sheet

At the Los Alamos National Laboratory (LANL), virtually all plutonium operations occur within the Plutonium Facility at Technical Area 55 (TA-55). TA-55 is the nation’s most modern plutonium science and manufacturing facility, and is the only fully operational, full capability plutonium facility in the nation. TA-55 supports a wide range of national security programs that involve: 1) stockpile stewardship. 2) plutonium processing. 3) nuclear materials stabilization. 4) materials disposition. 5) nuclear forensics. 6) nuclear counter-terrorism. 7) nuclear energy. Operations at TA-55 maintain a critical skill base of plutonium expertise across a broad suite of technical capabilities. These capabilities form a center of excellence for actinide science and technology, including world-class manufacturing for solving significant national security challenges.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

COVID-19 Testing R&D (Final Report)

Eleven Labs within the US Department of Energy (DOE), National Virtual Biotechnology Laboratory (NVBL), came together as a team to address significant R&D gaps in COVID-19 testing. Beginning in March 2020, the NVBL COVID Testing Team developed an R&D agenda, worked with DOE and other agencies to set priorities, and collaborated to deliver timely results. Priority was given to quick implementation as well as development of novel capabilities for immediate and evolving pandemic needs without placing additional burden on operational performers. Priority elements capitalized on DOE National Laboratory strengths and expertise. The Team delivered: testing and evaluation that enabled decisions on testing options, forwardleaning approaches to prepare for future scale-up needs, and models and experiments that supported prioritization of diagnostic and therapeutic candidates.

60 APPLIED LIFE SCIENCES↗

STS-105 Crew Training Clip

The STS-105 crewmembers, Commander Scott Horowitz, Pilot Frederick Sturckow, and Mission Specialists Daniel Barry and Patrick Forrester, are seeing during various stages of their training. Footage includes Post-Insertion Training, Virtual Reality Laboratory Remote Manipulator System Training, Emergency Egress Training in the CCT, Neutral Buoyancy Laboratory Training, Post Egress Landing Training at FFT, Long Rendezvous Training in the GNS (Navigation Simulator), and Post Insertion Operations Training at FFT.

Source record↗

Expedition 4 Crew Training Clip

This video shows clips of the Expedition 4 crewmembers, Commander Yuri Onufrienko and Flight Engineers Carl Walz and Daniel Bursch, during various parts of their training, including T-38 operations at Ellington, training in the virtual reality laboratory, Hydrolab training in Russia, International Space Station (ISS) food selection, and ISS Hab equipping and procedures in the Space Station Mockup and Test/Training Facility (SSMTF).

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Building a virtual planet

The virtual Planetary Laboratory (VPL) is a recently funded 5-yr project, which seeks toimprove our understanding of the range of plausible environments and the likely signatures for life on extrasolar terrestrial planets. To achieve these goals we are developing a suite of innovative modeling tools to simulate the environments and spectra of extrasolar planets. The core of the VPL IS a coupled radiative transfer/climate/chemistry model, which is augmented by interchangeable modules which characterize geological, exogenic, atmospheric escape, and life processes. The VPL is validated using data derived from terrestrial planets within our own solar system. The VPL will be used to explore the plausible range of atmospheric composittions and globally averaged spectra for extrasolar planets and for early Earth, and will improve our understanding of the effect of life on a planet's atmospheric spectrum and composition. The models will also be used to create a comprehensive spectral catalog to provide recommendations on the optimum wavelength range, spectral resolution, and instrument sensitivity required to characterize extrasolar terrestrial planets. Although developed by our team, the VPL is envisioned to be a comprehensive and flexible tool, which can be collaboratively used by the broader planetary science and astrobiology communities. This presentation will describe the project concept, the tasks involved, and will outline current progress to date. This work is funded by the NASA Astrobiology Institute.

astrobiology↗

Earth as an Extrasolar Planet: Earth Model Validation Using EPOXI Earth Observations

The EPOXI Discovery Mission of Opportunity reused the Deep Impact flyby spacecraft to obtain spatially and temporally resolved visible photometric and moderate resolution near-infrared (NIR) spectroscopic observations of Earth. These remote observations provide a rigorous validation of whole disk Earth model simulations used to better under- stand remotely detectable extrasolar planet characteristics. We have used these data to upgrade, correct, and validate the NASA Astrobiology Institute s Virtual Planetary Laboratory three-dimensional line-by-line, multiple-scattering spectral Earth model (Tinetti et al., 2006a,b). This comprehensive model now includes specular reflectance from the ocean and explicitly includes atmospheric effects such as Rayleigh scattering, gas absorption, and temperature structure. We have used this model to generate spatially and temporally resolved synthetic spectra and images of Earth for the dates of EPOXI observation. Model parameters were varied to yield an optimum fit to the data. We found that a minimum spatial resolution of approx.100 pixels on the visible disk, and four categories of water clouds, which were defined using observed cloud positions and optical thicknesses, were needed to yield acceptable fits. The validated model provides a simultaneous fit to the Earth s lightcurve, absolute brightness, and spectral data, with a root-mean-square error of typically less than 3% for the multiwavelength lightcurves, and residuals of approx.10% for the absolute brightness throughout the visible and NIR spectral range. We extend our validation into the mid-infrared by comparing the model to high spectral resolution observations of Earth from the Atmospheric Infrared Sounder, obtaining a fit with residuals of approx.7%, and temperature errors of less than 1K in the atmospheric window. For the purpose of understanding the observable characteristics of the distant Earth at arbitrary viewing geometry and observing cadence, our validated forward model can be used to simulate Earth s time dependent brightness and spectral properties for wavelengths from the far ultraviolet to the far infrared.brightness

Robinson, Tyler D.↗

Detecting and Constraining N2 Abundances in Planetary Atmospheres Using Collisional Pairs

Characterizing the bulk atmosphere of a terrestrial planet is important for determining surface pressure and potential habitability. Molecular nitrogen (N2) constitutes the largest fraction of Earth's atmosphere and is likely to be a major constituent of many terrestrial exoplanet atmospheres. Due to its lack of significant absorption features, N2 is extremely difficult to remotely detect. However, N2 produces an N2-N2 collisional pair, (N2)2, which is spectrally active. Here we report the detection of (N2)2 in Earth's disk-integrated spectrum. By comparing spectra from NASA's EPOXI mission to synthetic spectra from the NASA Astrobiology Institute's Virtual Planetary Laboratory three-dimensional spectral Earth model, we find that (N2)2 absorption produces a ~35% decrease in flux at 4.15 μm. Quantifying N2 could provide a means of determining bulk atmospheric composition for terrestrial exoplanets and could rule out abiotic O2 generation, which is possible in rarefied atmospheres. To explore the potential effects of (N2)2 in exoplanet spectra, we used radiative transfer models to generate synthetic emission and transit transmission spectra of self-consistent N2-CO2-H2O atmospheres, and analytic N2-H2 and N2-H2-CO2 atmospheres. We show that (N2)2 absorption in the wings of the 4.3 μm CO2 band is strongly dependent on N2 partial pressures above 0.5 bar and can significantly widen this band in thick N2 atmospheres. The (N2)2 transit transmission signal is up to 10 ppm for an Earth-size planet with an N2-dominated atmosphere orbiting within the habitable zone of an M5V star and could be substantially larger for planets with significant H2 mixing ratios.

Schwieterman, Edward W.↗

Earthshine as an Illumination Source at the Moon

Earthshine is the dominant source of natural illumination on the surface of the Moon during lunar night, and at some locations within permanently shadowed regions (PSRs) near the poles that never receive direct sunlight. As such, earthshine has the potential to enable the scientific investigation and exploration of conditions in areas of the Moon that are either temporarily or permanently hidden from the Sun. Earthshine has also been used to refer to Earthlight reflected from the lunar surface, but in this study we use it to refer specifically to Earthlight incident at the Moon. Under certain circumstances, the heat flux from earthshine could also influence the transport and cold-trapping of volatiles present in the very coldest areas within PSRs. In this study, Earth's spectral irradiance, as it would appear at the Moon in the solar reflectance band (0.3–3.0 µm) and at thermal emission wavelengths (3–50 µm), is examined with a suite of model image cubes and whole-disk spectra created using the Virtual Planetary Laboratory (VPL) three-dimensional (latitude, longitude and altitude) modeling capability. At the Moon, the broadband, hemispherical irradiance from Earth at full-phase is approximately 0.15 W m−2 with comparable contributions from solar reflectance and thermal emission; for context, this about 0.01% that of solar irradiance and has an equivalent temperature of around 40 K. Over the simulated timeframe, spanning two lunations, Earth's thermal irradiance shows very little net change (less than a few mW m−2 resulting from cloud variability and the south-to-north motion of the sub-observer latitude on Earth). In the solar band, Earth's diurnally averaged light curve at phase angles g ≤ 60° is well-fit using a Henyey–Greenstein integral phase function. At wavelengths longward of about 0.7 µm, near the well-known vegetation “red edge”, Earth's reflected solar radiance shows significant diurnal modulation as a result of the broad maximum in projected landmass at terrestrial longitudes between 60°W and 0°, as well as from the distribution of clouds. A simple formulation with adjustable coefficients is presented, condensed from the VPL model grid, for estimating Earth's hemispherical irradiance at the Moon as a function of wavelength, phase angle and sub-observer coordinates (terrestrial latitude and longitude). Uncertainties in any one prediction are estimated to be 10–12% at 0.3 µm, rising to >25% near 2.5 µm as a result of the increasing relative brightness and unpredictable influence of clouds. Although coefficient values are derived from a suite of spring equinox models, the approximation appears to be valid for all seasons, to within the stated uncertainties. It is demonstrated that earthshine is sufficiently bright to serve as a natural illumination source for optical measurements on a robotic lander/rover, allowing the identification of water ice mixed with regolith at the percent-level of fractional area.

Surface↗

NREL Supply Chain & Circular Economy Capabilities

NREL and JISEA have many supply chain competencies and capabilities. Utilizing these tools and with funding by the DOE Office of Science through the National Virtual Biotechnology Laboratory, a consortium of DOE national laboratories focused on response to COVID-19, provided by the Coronavirus CARES Act, an NREL team prepared case studies regarding necessary PPE to combat COVID.

analysis↗

IMPECCABLE: Integrated Modeling Pipeline for COVID Cure by Assessing Better Leads

ABSTRACT The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2-3 billion to deliver one new drug. This is both too expensive and too slow, especially in emergencies like the COVID-19 pandemic. In silico methodologies need to be improved both to select better lead compounds, so as to improve the efficiency of later stages in the drug discovery protocol, and to identify those lead compounds more quickly. No known methodological approach can deliver this combination of higher quality and speed. Here, we describe an Integrated Modeling PipEline for COVID Cure by Assessing Better LEads (IMPECCABLE) that employs multiple methodological innovations to overcome this fundamental limitation. We also describe the computational framework that we have developed to support these innovations at scale, and characterize the performance of this framework in terms of throughput, peak performance, and scientific results. We show that individual workflow components deliver 100× to 1000× improvement over traditional methods, and that the integration of methods, supported by scalable infrastructure, speeds up drug discovery by orders of magnitudes. IMPECCABLE has screened ~10 11 ligands and has been used to discover a promising drug candidate. These capabilities have been used by the US DOE National Virtual Biotechnology Laboratory and the EU Centre of Excellence in Computational Biomedicine.

97 MATHEMATICS AND COMPUTING↗

Workshop on Sustainable Aviation Fuel-Use Research Opportunities

On February 15-16, 2022, the U.S. Department of Energy’s (DOE’s) Vehicle Technology Office (VTO) within Energy Efficiency and Renewable Energy (EERE) convened a workshop to assess the end-use research opportunities for Sustainable Aviation Fuels (SAF). This report summarizes the proceedings and findings of the workshop, which the U.S. Department of Energy’s Argonne National Laboratory hosted as a virtual event. During these two half-days, invited members of national laboratories, industry, government, and academia connected virtually to share perspectives on SAF research needs for improving end-use adoption.

09 BIOMASS FUELS↗

Reduced Sediment Settling in Turbulent Flows Due To Basset History and Virtual Mass Effects

The behavior of suspended particles in turbulent flows is a recalcitrant problem spanning wide-ranging fields including geomorphology, hydrology, and dispersion of particulate matter in the atmosphere. One key mechanism underlying particle suspension is the difference between particle settling velocity (w s ) in turbulence and its still water counterpart (w so ). This difference is explored here for a range of particle-to-fluid densities (1 – 10) and particle diameter to Kolmogorov micro-eddy sizes (0.1 – 10). Conventional models of particle fluxes that equate w s to w so result in eddy diffusivities and turbulent Schmidt numbers contradictory to laboratory experiments. Incorporating virtual mass and Basset history forces resolves these inconsistencies, providing clarity as to why w s /w so is sub-unity for the aforementioned conditions. The proposed formulation can be imminently used to model particle settling in turbulence, especially when sediment distribution outcomes over extended time scales far surpassing turbulence time scales are sought.

Geology↗