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All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

MOPITT - A gas correlation spectrometer for tropospheric Earth observations

MOPITT (Measurement of Pollution in the Troposphere) is an instrument that will fly on the EOS AM-1 Polar Orbiting Platform, to be launched in mid-1998. The instrument accurately measures the concentration of carbon monoxide (CO) and methane (CH4) gas in the troposphere, using novel and conventional gas correlation spectroscopy techniques. These techniques are used to measure both the column amount and the vertical profile of the two gases in the troposphere. The instrument is nadir viewing and has cross-track scanning ability. It measures upwelling IR radiation through the atmosphere in the 4.6-micron and 2.3-micron bands for CO detection, and 2.2-micron for CH4. The instrument performance is enhanced using Stirling cycle mechanical coolers to maintain the IR detectors at less than 100 K. MOPITT has a total of eight detector channels to measure the total column of atmospheric CH4 gas to a precision of 1 percent, and to measure CO profiles to a precision of 10 percent. The instrument is self-calibrating to ensure data validity using internal targets and an external cold space view.

Drummond, James R.↗
NASA NTRS2021

First Observations from the SPICE EUV Spectrometer on Solar Orbiter

Aims. We present first science observations taken during the commissioning activities of the Spectral Imaging of the Coronal Environment (SPICE) instrument on the ESA/NASA Solar Orbiter mission. SPICE is a high-resolution imaging spectrometer operating at extreme ultraviolet (EUV) wavelengths. In this paper we illustrate the possible types of observations to give prospective users a better understanding of the science capabilities of SPICE. Methods. We have reviewed the data obtained by SPICE between April and June 2020 and selected representative results obtained with different slits and a range of exposure times between 5 s and 180 s. Standard instrumental corrections have been applied to the raw data. Results. The paper discusses the first observations of the Sun on different targets and presents an example of the full spectra from the quiet Sun, identifying over 40 spectral lines from neutral hydrogen and ions of carbon, oxygen, nitrogen, neon, sulphur, magnesium, and iron. These lines cover the temperature range between 20,000 K and 1 million K (10MK in flares), providing slices of the Sun’s atmosphere in narrow temperature intervals. We provide a list of count rates for the 23 brightest spectral lines. We show examples of raster images of the quiet Sun in several strong transition region lines, where we have found unusually bright, compact structures in the quiet Sun network, with extreme intensities up to 25 times greater than the average intensity across the image. The lifetimes of these structures can exceed 2.5 hours. We identify them as a transition region signature of coronal bright points and compare their areas and intensity enhancements. We also show the first above-limb measurements with SPICE above the polar limb in C III,O VI, and Ne VIII lines, and far off limb measurements in the equatorial plane in Mg IX, Ne VIII, and O VI lines. We discuss the potential to use abundance diagnostics methods to study the variability of the elemental composition that can be compared with in situ measurements to help confirm the magnetic connection between the spacecraft location and the Sun’s surface, and locate the sources of the solar wind. Conclusions. The SPICE instrument successfully performs measurements of EUV spectra and raster images that will make vital contributions to the scientific success of the Solar Orbiter mission

Sun: UV radiation↗
NASA NTRS2016

Optical Extinction Measurements of Dust Density in the GMRO Regolith Test Bin

A regolith simulant test bin was constructed and completed in the Granular Mechanics and Regolith Operations (GMRO) Lab in 2013. This Planetary Regolith Test Bed (PRTB) is a 64 sq m x 1 m deep test bin, is housed in a climate-controlled facility, and contains 120 MT of lunar-regolith simulant, called Black Point-1 or BP-1, from Black Point, AZ. One of the current uses of the test bin is to study the effects of difficult lighting and dust conditions on Telerobotic Perception Systems to better assess and refine regolith operations for asteroid, Mars and polar lunar missions. Low illumination and low angle of incidence lighting pose significant problems to computer vision and human perception. Levitated dust on Asteroids interferes with imaging and degrades depth perception. Dust Storms on Mars pose a significant problem. Due to these factors, the likely performance of telerobotics is poorly understood for future missions. Current space telerobotic systems are only operated in bright lighting and dust-free conditions. This technology development testing will identify: (1) the impact of degraded lighting and environmental dust on computer vision and operator perception, (2) potential methods and procedures for mitigating these impacts, (3) requirements for telerobotic perception systems for asteroid capture, Mars dust storms and lunar regolith ISRU missions. In order to solve some of the Telerobotic Perception system problems, a plume erosion sensor (PES) was developed in the Lunar Regolith Simulant Bin (LRSB), containing 2 MT of JSC-1a lunar simulant. PES is simply a laser and digital camera with a white target. Two modes of operation have been investigated: (1) single laser spot - the brightness of the spot is dependent on the optical extinction due to dust and is thus an indirect measure of particle number density, and (2) side-scatter - the camera images the laser from the side, showing beam entrance into the dust cloud and the boundary between dust and void. Both methods must assume a mean particle size in order to extract a number density. The optical extinction measurement yields the product of the 2nd moment of the particle size distribution and the extinction efficiency Qe. For particle sizes in the range of interest (greater than 1 micrometer), Qe approximately equal to 2. Scaling up of the PES single laser and camera system is underway in the PRTB, where an array of lasers penetrate a con-trolled dust cloud, illuminating multiple targets. Using high speed HD GoPro video cameras, the evolution of the dust cloud and particle size density can be studied in detail.

lunar simulant↗
DOE OSTI2021

Mitigating the optical depth degeneracy using the kinematic Sunyaev-Zel’dovich effect with CMB-S4 data

The epoch of reionization is one of the major phase transitions in the history of the universe, and is a focus of ongoing and upcoming cosmic microwave background (CMB) experiments with improved sensitivity to small-scale fluctuations. Reionization also represents a significant contaminant to CMB-derived cosmological parameter constraints, due to the degeneracy between the Thomson-scattering optical depth, $\tau$, and the amplitude of scalar perturbations, $A_s$. This degeneracy subsequently hinders the ability of large-scale structure data to constrain the sum of the neutrino masses, a major target for cosmology in the 2020s. In this work, we explore the kinematic Sunyaev-Zel'dovich (kSZ) effect as a probe of reionization, and show that it can be used to mitigate the optical depth degeneracy with high-sensitivity, high-resolution data from the upcoming CMB-S4 experiment. We discuss the dependence of the kSZ power spectrum on physical reionization model parameters, as well as on empirical reionization parameters, namely $\tau$ and the duration of reionization, $\Delta z$. We show that by combining the kSZ two-point function and the reconstructed kSZ four-point function, degeneracies between $\tau$ and $\Delta z$ can be strongly broken, yielding tight constraints on both parameters. We forecast $\sigma(\tau) = 0.003$ and $\sigma(\Delta z) = 0.25$ for a combination of CMB-S4 and Planck data, including detailed treatment of foregrounds and atmospheric noise. The constraint on $\tau$ is nearly identical to the cosmic-variance limit that can be achieved from large-angle CMB polarization data. The kSZ effect thus promises to yield not only detailed information about the reionization epoch, but also to enable high-precision cosmological constraints on the neutrino mass.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2004

Lunar and Planetary Science XXXV: Missions and Instruments: Hopes and Hope Fulfilled

The titles in this section include: 1) Mars Global Surveyor Mars Orbiter Camera in the Extended Mission: The MOC Toolkit; 2) Mars Odyssey THEMIS-VIS Calibration; 3) Early Science Operations and Results from the ESA Mars Express Mission: Focus on Imaging and Spectral Mapping; 4) The Mars Express/NASA Project at JPL; 5) Beagle 2: Mission to Mars - Current Status; 6) The Beagle 2 Microscope; 7) Mars Environmental Chamber for Dynamic Dust Deposition and Statics Analysis; 8) Locating Targets for CRISM Based on Surface Morphology and Interpretation of THEMIS Data; 9) The Phoenix Mission to Mars; 10) First Studies of Possible Landing Sites for the Phoenix Mars Scout Mission Using the BMST; 11) The 2009 Mars Telecommunications Orbiter; 12) The Aurora Exploration Program - The ExoMars Mission; 13) Electron-induced Luminescence and X-Ray Spectrometer (ELXS) System Development; 14) Remote-Raman and Micro-Raman Studies of Solid CO2, CH4, Gas Hydrates and Ice; 15) The Compact Microimaging Spectrometer (CMIS): A New Tool for In-Situ Planetary Science; 16) Preliminary Results of a New Type of Surface Property Measurement Ideal for a Future Mars Rover Mission; 17) Electrodynamic Dust Shield for Solar Panels on Mars; 18) Sensor Web for Spatio-Temporal Monitoring of a Hydrological Environment; 19) Field Testing of an In-Situ Neutron Spectrometer for Planetary Exploration: First Results; 20) A Miniature Solid-State Spectrometer for Space Applications - Field Tests; 21) Application of Laser Induced Breakdown Spectroscopy (LIBS) to Mars Polar Exploration: LIBS Analysis of Water Ice and Water Ice/Soil Mixtures; 22) LIBS Analysis of Geological Samples at Low Pressures: Application to Mars, the Moon, and Asteroids; 23) In-Situ 1-D and 2-D Mapping of Soil Core and Rock Samples Using the LIBS Long Spark; 24) Rocks Analysis at Stand Off Distance by LIBS in Martian Conditions; 25) Evaluation of a Compact Spectrograph/Detection System for a LIBS Instrument for In-Situ and Stand-Off Detection; 26) Analysis of Organic Compounds in Mars Analog Samples; 27) Report of the Organic Contamination Science Steering Group; 28) The Water-Wheel IR (WIR) - A Contact Survey Experiment for Water and Carbonates on Mars; 29) Mid-IR Fiber Optic Probe for In Situ Water Detection and Characterization; 30) Effects of Subsurface Sampling & Processing on Martian Simulant Containing Varying Quantities of Water; 31) The Subsurface Ice Probe (SIPR): A Low-Power Thermal Probe for the Martian Polar Layered Deposits; 32) Deploying Ground Penetrating Radar in Planetary Analog Sites to Evaluate Potential Instrument Capabilities on Future Mars Missions; 33) Evaluation of Rock Powdering Methods to Obtain Fine-grained Samples for CHEMIN, a Combined XRD/XRF Instrument; 34) Novel Sample-handling Approach for XRD Analysis with Minimal Sample Preparation; 35) A New Celestial Navigation Method for Mars Landers; 36) Mars Mineral Spectroscopy Web Site: A Resource for Remote Planetary Spectroscopy.

Source record↗
DOE OSTI2023

Coupling Environmental Whole Mixture Toxicity Screening with Unbiased RNA-Seq Reveals Site-Specific Biological Responses in Zebrafish

Passive sampling device (PSD) extracts paired with developmental toxicity assays in Danio Rerio (zebrafish) are excellent sensors for whole mixture toxicity associated with the bioavailable non-polar organics at environmental sites. We expand this concept by incorporating RNA-Seq in 48-h post fertilization zebrafish statically exposed to PSD extracts from two Portland Harbor Superfund Site locations: river mile 6.5W (RM 6.5W) and river mile 7W (RM 7W). RM 6.5W contained higher concentrations of polycyclic aromatic hydrocarbons (PAHs), but the diagnostic ratios of both extracts indicated similar PAH sourcing and composition. Developmental screens determined RM 6.5W to be more toxic with the most sensitive endpoint being a “wavy” notochord malformation. Differential gene expression from exposure to both extracts was largely parallel, although more pronounced for RM 6.5W. When compared to the gene expression associated with individual chemical exposures, PSD extracts produced some gene signatures parallel to PAHs but were more closely matched by oxygenated-PAHs. Additionally, differential expression, reminiscent of the wavy notochord phenotype, was not accounted for by either class of chemical, indicating the potential of other contaminants driving mixture toxicity. These techniques offer a compelling method for non-targeted hazard characterization of whole mixtures in an in vivo vertebrate system without requiring complete chemical characterization.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2008

An Overview of the NASA Spring/Summer 2008 Arctic Campaign - ARCTAS (Arctic Research of the Composition of the Troposphere from Aircraft and Satellites)

ARCTAS (Arctic Research of the Composition of the Troposphere from Aircraft and Satellites) is a major NASA led airborne field campaign being performed in the spring and summer of 2008 at high latitudes (http://cloud1.arc.nasa.gov/arctas/). ARCTAS is a part of the International Polar Year program and its activities are closely coordinated with multiple U. S. (NOAA, DOE), Canadian, and European partners. Observational data from an ensemble of aircraft, surface, and satellite sensors are closely integrated with models of atmospheric chemistry and transport in this experiment. Principal NASA airborne platforms include a DC-8 for detailed atmospheric composition studies, a P-3 that focuses on aerosols and radiation, and a B-200 that is dedicated to remote sensing of aerosols. Satellite validation is a central activity in all these platforms and is mainly focused on CALIPSO, Aura, and Aqua satellites. Major ARCTAS themes are: (1) Long-range transport of pollution to the Arctic including arctic haze, tropospheric ozone, and persistent pollutants such as mercury; (2) Boreal forest fires and their implications for atmospheric composition and climate; (3) Aerosol radiative forcing from arctic haze, boreal fires, surface-deposited black carbon, and other perturbations; and (4) Chemical processes with focus on ozone, aerosols, mercury, and halogens. The spring deployment (April) is presently underway and is targeting plumes of anthropogenic and biomass burning pollution and dust from Asia and North America, arctic haze, stratosphere-troposphere exchange, and ozone photochemistry involving HOx and halogen radicals. The summer deployment (July) will target boreal forest fires and summertime photochemistry. The ARCTAS mission is providing a critical link to enhance the value of NASA satellite observations for Earth science. In this talk we will discuss the implementation of this campaign and some preliminary results.

Jacob, Daniel J.↗
DOE OSTI2023

Variable magnetic field electron spectrometer to measure hot electrons in the range of 50–460 keV

Resonance absorption (RA) occurs when a p-polarized electromagnetic wave, obliquely incident on an inhomogeneous plasma, tunnels past its turning point and resonantly excites an electron plasma wave (EPW) at the critical density. This phenomenon is important, for instance, in the direct drive approach to inertial fusion energy and is a particular example of a wider phenomenon in plasma physics known as mode conversion, which is crucial for heating magnetic fusion devices, such as tokamaks, via RF heating. Direct measurement of these RA-generated EPW accelerated hot electrons, with energy in the range of a few tens to a few hundreds of keV, is a challenging task due to the relatively low deflecting magnetic fields needed. The solution described here is a magnetic electron spectrometer (MES) with a continually changing magnetic field, lower at the entrance of the MES and gradually increasing toward the end, that enables the measurement of a wide spectral range of electrons with energies between 50 and 460 keV. Electron spectra taken in a LaserNetUS RA experiment were acquired from plasmas generated by irradiating polymer targets with the combination of an ~300 ps pulse followed by a series of ten high intensity 50–200 fs duration laser pulses from the ALEPH laser at Colorado State University. In conclusion, the high intensity beam is designed as spike trains of uneven duration and delay pulses in order to modify the RA phenomenon.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

A hierarchy of global ocean models coupled to CESM1

We develop a hierarchy of simplified ocean models for coupled ocean, atmosphere, and sea ice climate simulations using the Community Earth System Model version 1 (CESM1). The hierarchy has four members: a slab ocean model, a mixed-layer model (MLM) with entrainment and detrainment, an Ekman MLM, and an ocean general circulation model (OGCM). Flux corrections of heat and salt are applied to the simplified models ensuring that all hierarchy members have the same climatology. We diagnose the needed flux corrections from auxiliary simulations in which we restore the temperature and salinity to the daily climatology obtained from a target CESM1 simulation. The resulting three-dimensional corrections contain the interannual variability fluxes that maintain the correct vertical gradients of temperature and salinity in the tropics. We find that the inclusion of mixed-layer entrainment and Ekman flow produces sea surface temperature and surface air temperature fields whose means and variances are progressively more similar to those produced by the target CESM1 simulation. We illustrate the application of the hierarchy to the problem of understanding the response of the climate system to the loss of Arctic sea ice. We find that the shifts in the positions of the mid-latitude westerly jet and of the Inter-tropical Convergence Zone (ITCZ) in response to sea-ice loss depend critically on upper ocean processes. Specifically, heat uptake associated with the mixed-layer entrainment influences the shift in the westerly jet and ITCZ. Moreover, the shift of ITCZ is sensitive to the form of Ekman flow parameterization.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2020

Terra MODIS: 20 years of on-orbit calibration and performance

Since its launch in December 1999, Terra Moderate Resolution Imaging Spectroradiometer (MODIS) has successfully operated for more than 20 years, with its observations generating a broad range of science data products that have greatly enabled the remote sensing community and users worldwide in their studies of many key geophysical parameters of the Earth’s systems. MODIS collects data in 36 spectral bands, covering wavelengths from 0.41 to 14.4 μm, which are calibrated by a set of onboard calibrators (OBCs). Also contributing to the sensor’s mission-long on-orbit calibration and characterization are near-monthly scheduled lunar observations and multiple time series of the sensor’s responses over select ground targets at a variety of scan angles. To a large extent, the quality of MODIS data products relies strongly on the dedicated efforts to operate and calibrate the instrument, to derive and update calibration parameters, and to develop and implement new calibration strategies and algorithms in response to on-orbit changes of the sensor’s characteristics and its OBC functions. We provide an overview of the Terra MODIS on-orbit operation and calibration activities over the last 20 years, including changes made to extend and preserve the instrument and OBC functions and their operation strategies. It also illustrates the sensor’s on-orbit performance with results derived from its OBC, lunar observations, and select ground targets and discusses major changes in sensor characteristics and corrections applied to the L1B algorithms as well as calibration lookup table updates. To date, the Terra MODIS instrument and its OBCs continue to operate and function normally. Except for those identified prelaunch, most spectral bands and detectors continue to meet their specified calibration requirements. Also discussed in our paper are lessons learned from Terra MODIS operation and calibration, as well as future efforts to further extend and maintain the quality of its long-term data records.

Terra↗
DOE OSTI2025

The anomalous magnetic moment of the muon in the Standard Model: an update

We present the current Standard Model (SM) prediction for the muon anomalous magnetic moment, a μ , updating the first White Paper (WP20) [1]. The pure QED and electroweak contributions have been further consolidated, while hadronic contributions continue to be responsible for the bulk of the uncertainty of the SM prediction. Significant progress has been achieved in the hadronic light-by-light scattering contribution using both the data-driven dispersive approach as well as lattice-QCD calculations, leading to a reduction of the uncertainty by almost a factor of two. The most important development since WP20 is the change in the estimate of the leading-order hadronic-vacuum-polarization (LO HVP) contribution. A new measurement of the e + e - → π + π - cross section by CMD-3 has increased the tensions among data-driven dispersive evaluations of the LO HVP contribution to a level that makes it impossible to combine the results in a meaningful way. At the same time, the attainable precision of lattice-QCD calculations has increased substantially and allows for a consolidated lattice-QCD average of the LO HVP contribution with a precision of about 0.9%. Adopting the latter in this update has resulted in a major upward shift of the total SM prediction, which now reads $a^{SM}_{μ}$ = 116 592 033 (62) x $10^{-11}$ (530 ppb). When compared against the current experimental average based on the E821 experiment and runs 1–6 of E989 at Fermilab, one finds $a^{exp}_{μ} -a^{SM}_{μ}= 38 (63)$ x $10^{-11}$, which implies that there is no tension between the SM and experiment at the current level of precision. The final precision of E989 (127 ppb) is the target of future efforts by the Theory Initiative. The resolution of the tensions among data-driven dispersive evaluations of the LO HVP contribution will be a key element in this endeavor.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Virtual Substrates for Wide Bandgap AlyX1-yN Growth

Lattice-matched substrates are critical for growth of high quality, compositionally-targeted ternary AlyX1-yN compounds with properties suitable for a wide variety of next-generation opto- and power electronic applications. [DOI:10.1149/2.0111702jss] We have identified the (111) plane of transition metal carbides and nitrides as lattice matched "virtual" substrate layers that have additional benefits of electrical conductivity and appropriate coefficients of thermal expansion for nitride layer at both growth and operating temperatures. [arXiv:2208.11769 2022] In this work, (111)-oriented TaC and ZrN are grown by RF sputtering and optimized as substrate layers for AlyGa1-yN and AlyGd1-yN, respectively. TaC is demonstrated as a full proof of concept. (111)-stabilized TaC layers with a rock-salt crystal structure are annealed to improve surface crystal quality and surface morphology and then used as a template for growth of an Al0.7Ga0.3N layer by molecular beam epitaxy. X-ray diffraction (XRD) demonstrates epitaxial registry of the grown layer to the substrate. High resolution transmission electron microscopy (TEM) is used to investigate interface behavior, showing regions of abrupt interface transitions and nitrogen polar termination of the Al0.7Ga0.3N. We also grew (111)-oriented ZrN on Ti-Zr-N graded buffer layers as a lattice-matched virtual substrate for AlyGd1-yN. Structure, morphology, and strain are analyzed using XRD and atomic force microscopy. Structure and quality of initial Al0.8Gd0.2N thin films are investigated for both in-situ and ex-situ growths.

AlyX1-yN↗
NASA NTRS2019

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.↗
DOE OSTI2021

Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids

The ability to predict transport properties of liquids quickly and accurately will greatly improve our understanding of fluid properties both in bulk and complex mixtures, as well as in confined environments. Such information could then be used in the design of materials and processes for applications ranging from energy production and storage to manufacturing processes. As a first step, we consider the use of machine learning (ML) methods to predict the diffusion properties of pure liquids. Recent results have shown that Artificial Neural Networks (ANNs) can effectively predict the diffusion of pure compounds based on the use of experimental properties as the model inputs. In the current study, a similar ANN approach is applied to modeling diffusion of pure liquids using fluid properties obtained exclusively from molecular simulations. A diverse set of 102 pure liquids is considered, ranging from small polar molecules (e.g., water) to large nonpolar molecules (e.g., octane). Self-diffusion coefficients were obtained from classical molecular dynamics (MD) simulations. Since nearly all the molecules are organic compounds, a general set of force field parameters for organic molecules was used. The MD methods are validated by comparing physical and thermodynamic properties with experiment. Computational input features for the ANN include physical properties obtained from the MD simulations as well as molecular properties from quantum calculations of individual molecules. Furthermore, fluid properties describing the local liquid structure were obtained from center of mass radial distribution functions (COM-RDFs). Feature sensitivity analysis revealed that isothermal compressibility, heat of vaporization, and the thermal expansion coefficient were the most impactful properties used as input for the ANN model to predict the MD simulated self-diffusion coefficients. The MD-based ANN successfully predicts the MD self-diffusion coefficients with only a subset (2 to 3) of the available computationally determined input features required. A separate ANN model was developed using literature experimental self-diffusion coefficients as model targets. Although this second ML model was not as successful due to a limited number of data points, a good correlation is still observed between experimental and ML predicted self-diffusion coefficients.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Robotic Subsurface Analyzer and Sample Handler for Resource Reconnaissance and Preliminary Site Assessment for ISRU Activities at the Lunar Cold Traps

Since the 1960s, claims have been made that water ice deposits should exist in permanently shadowed craters near both lunar poles. Recent interpretations of data from the Lunar Prospector-Neutron Spectrometer (LP- NS) confirm that significant concentrations of hydrogen exist, probably in the form of water ice, in the permanently shadowed polar cold traps. Yet, due to the large spatial resolution (45-60 Ian) of the LP-NS measurements relative to these shadowed craters (approx.5-25 km), these data offer little certainty regarding the precise location, form or distribution of these deposits. Even less is known about how such deposits of water ice might effect lunar regolith physical properties relevant to mining, excavation, water extraction and construction. These uncertainties will need to be addressed in order to validate fundamental lunar In Situ Resource Utilization (ISRU) precepts by 2011. Given the importance of the in situ utilization of water and other resources to the future of space exploration a need arises for the advanced deployment of a robotic and reconfigurable system for physical properties and resource reconnaissance. Based on a collection of high-TRL. designs, the Subsurface Analyzer and Sample Handler (SASH) addresses these needs, particularly determining the location and form of water ice and the physical properties of regolith. SASH would be capable of: (1) subsurface access via drilling, on the order of 3-10 meters into both competent targets (ice, rock) and regolith, (2) down-hole analysis through drill string embedded instrumentation and sensors (Neutron Spectrometer and Microscopic Imager), enabling water ice identification and physical properties measurements; (3) core and unconsolidated sample acquisition from rock and regolith; (4) sample handling and processing, with minimized contamination, sample containerization and delivery to a modular instrument payload. This system would be designed with three mission enabling goals, including: (1) a self-contained, low power, low mass, "black box'' configuration for operations from a lander, various classes of rovers or a surface-based platform with human assistance or robotic anchoring mechanisms; (2) reconfigurable and scalable sample handling for delivery to various types of instrumentation, depending on mission requirements; and (3) the use of advanced automation control and diagnostic techniques that will afford local human deployed, remote teleoperation and fully autonomous intelligent operations. Though a great deal of technology has been advanced toward these objectives, the SASH system faces significant design challenges, including the low gravity environment, various levels of autonomy in operations, radiation exposure, dust contamination, and temperature extremes and deltas. Significant input from the scientific and engineering communities, as well as a significant environmental testing program, will be required to guide the design process.

Gorevan, S. P.↗
NASA NTRS1998

Rovers for Mars Polar Exploration

Mobility is a generic capability needed for Mars exploration. Requirements for mobility range from those to get observations of individual rocks all the way to getting high resolution observations of regional areas. Table 1 shows the required-range of mobility to achieve various tasks. The Pathfinder mission and field experiments simulating rover missions [1, 2, 3, 4, 5] provide guidance as to rover capabilities that can reasonably be expected in the next decade. Rover mobility can be accomplished in a variety of ways, the most common being wheels or tracks and legged-walkers. Wheeled vehicles can traverse over rocks smaller than 1/2 wheel diameter, and with path planning to avoid larger rocks, can traverse terrains comparable to those seen on Mars in the Viking and Pathfinder landing sites. Slopes of 45 deg can be easily negotiated by wheeled rovers. Walking vehicles can negotiate even more complex terrain but requires computation capability to select each leg placement. Extremely complex terrain was traversed by the Nomad II walker which descended into (and most of the way out of) an active volcanic caldera (Mount Spur, AK) in 1995, although a slope failure eventually resulted in broken legs. The traverse range of a rover is limited by its science objectives, performance capabilities, and operational lifetime. The speed of rover traverse is a relative minor factor. With a different communication system, and no stops for science experiments, Sojourner could probably have traveled a kilometer. But, achieving land speed records is not a major objective of a science mission. Achieving science objectives requires targeting particular objects and studying them in detail, and the associated operational requirements will likely limit rover traverse range significantly. Traversing from target to target requires relatively few command cycles provided the traverse is over a short enough distance that it can be adequately planned. An operational goal of 100 m traverse per command cycle, arriving at a predetermined target, seems achievable. Investigating science targets requiring manipulator or instrument placement and sample collection will likely take several command cycles per target. Mission simulations [6] have demonstrated that traverse dI stances of 100-300 m, with detailed investigation of 5-10 targets take 50-100 command cycles, not unlike the Pathfinder experience in spite of the use of larger, faster, more capable rovers. Significant advances in rover autonomy will be needed to improve this Situation and it is not clear how much improvement will be brought to flight programs in the next decade. Dust accumulation on solar panels degrades power over time and, without dust removal, rover operational lifetimes may be limited to 90 sols.

Stoker, Carol↗
DOE OSTI2020

Structure-based group A streptococcal vaccine design: Helical wheel homology predicts antibody cross-reactivity among streptococcal M protein–derived peptides

Group A streptococcus (Strep A) surface M protein, an α-helical coiled-coil dimer, is a vaccine target and a major determinant of streptococcal virulence. The sequence-variable N-terminal region of the M protein defines the M type and also contains epitopes that promote opsonophagocytic killing of streptococci. Recent reports have reported considerable cross-reactivity among different M types, suggesting the prospect of identifying cross-protective epitopes that would constitute a broadly protective multivalent vaccine against Strep A isolates. In this work, we have used a combination of immunological assays, structural biology, and cheminformatics to construct a recombinant M protein–based vaccine that included six Strep A M peptides that were predicted to elicit antisera that would cross-react with an additional 15 nonvaccine M types of Strep A. Rabbit antisera against this recombinant vaccine cross-reacted with 10 of the 15 nonvaccine M peptides. Two of the five nonvaccine M peptides that did not cross-react shared high sequence identity (≥50%) with the vaccine peptides, implying that high sequence identity alone was insufficient for cross-reactivity among the M peptides. Additional structural analyses revealed that the sequence identity at corresponding polar helical-wheel heptad sites between vaccine and nonvaccine peptides accurately distinguishes cross-reactive from non–cross-reactive peptides. On the basis of these observations, we developed a scoring algorithm based on the sequence identity at polar heptad sites. When applied to all epidemiologically important M types, this algorithm should enable the selection of a minimal number of M peptide–based vaccine candidates that elicit broadly protective immunity against Strep A.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2012

The Advanced Technology Microwave Sounder (ATMS): First Year On-Orbit

The Advanced Technology Microwave Sounder (ATMS) is a new satellite microwave sounding sensor designed to provide operational weather agencies with atmospheric temperature and moisture profile information for global weather forecasting and climate applications. A TMS will continue the microwave sounding capabilities first provided by its predecessors, the Microwave Sounding Unit (MSU) and Advanced Microwave Sounding Unit (AMSU). The first flight unit was launched a year ago in October, 2011 aboard the Suomi-National Polar-Orbiting Partnership (S-NPP) satellite, part of the new Joint Polar-Orbiting Satellite System (JPSS). Microwave soundings by themselves are the highest-impact input data used by Numerical Weather Prediction models; and A TMS, when combined with the Cross-track Infrared Sounder (CrIS), forms the Cross-track Infrared and Microwave Sounding Suite (CrIMSS). The microwave soundings help meet sounding requirements under cloudy sky conditions and provide key profile information near the surface. ATMS was designed & built by Aerojet Corporation in Azusa, California, (now Northrop Grumman Electronic Systems). It has 22 channels spanning 23-183 GHz, closely following the channel set of the MSU, AMSU-AI/2, AMSU-B, Microwave Humidity Sounder (MHS), and Humidity Sounder for Brazil (HSB). It continues their cross-track scanning geometry, but for the first time, provides Nyquist sample spacing. All this is accomplished with approximately V. the volume, Y, the mass, and Y, the power of the three AMSUs. A description will be given of its performance from its first year of operation as determined by post-launch calibration activities. These activities include radiometric calibration using the on-board warm targets and cold space views, and geolocation determination. Example imagery and zooms of specific weather events will be shown. The second ATMS flight model is currently under construction and planned for launch on the "Jl" satellite of the JPSS program in approximately 2016. Additional units are expected on the J2 and 13 satellites, as well as potentially on future European METOP satellites.

Kim, Edward J.↗