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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 127 records · Page 7

Portable Rabies Virus Sequencing in Canine Rabies Endemic Countries Using the Oxford Nanopore MinION

As countries with endemic canine rabies progress towards elimination by 2030, it will become necessary to employ techniques to help plan, monitor, and confirm canine rabies elimination. Sequencing can provide critical information to inform control and vaccination strategies by identifying genetically distinct virus variants that may have different host reservoir species or geographic distributions. However, many rabies testing laboratories lack the resources or expertise for sequencing, especially in remote or rural areas where human rabies deaths are highest. We developed a low-cost, high throughput rabies virus sequencing method using the Oxford Nanopore MinION portable sequencer. A total of 259 sequences were generated from diverse rabies virus isolates in public health laboratories lacking rabies virus sequencing capacity in Guatemala, India, Kenya, and Vietnam. Phylogenetic analysis provided valuable insight into rabies virus diversity and distribution in these countries and identified a new rabies virus lineage in Kenya, the first published canine rabies virus sequence from Guatemala, evidence of rabies spread across an international border in Vietnam, and importation of a rabid dog into a state working to become rabies-free in India. Taken together, our evaluation highlights the MinION’s potential for low-cost, high volume sequencing of pathogens in locations with limited resources.

59 BASIC BIOLOGICAL SCIENCES↗

Perseverance’s Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) Investigation

The Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) is a robotic arm-mounted instrument on NASA’s Perseverance rover. SHERLOC has two primary boresights. The Spectroscopy boresight generates spatially resolved chemical maps using fluorescence and Raman spectroscopy coupled to microscopic images (10.1 μm/pixel). The second boresight is a Wide Angle Topographic Sensor for Operations and eNgineering (WATSON); a copy of the Mars Science Laboratory (MSL) Mars Hand Lens Imager (MAHLI) that obtains color images from microscopic scales (∼13 μm/pixel) to infinity. SHERLOC Spectroscopy focuses a 40 μs pulsed deep UV neon-copper laser (248.6 nm), to a ∼100 μm spot on a target at a working distance of ∼48 mm. Fluorescence emissions from organics, and Raman scattered photons from organics and minerals, are spectrally resolved with a single diffractive grating spectrograph with a spectral range of 250 to ∼370 nm. Because the fluorescence and Raman regions are naturally separated with deep UV excitation (<250 nm), the Raman region ∼ 800 – 4000 cm−1 (250 to 273 nm) and the fluorescence region (274 to ∼370 nm) are acquired simultaneously without time gating or additional mechanisms. SHERLOC science begins by using an Autofocus Context Imager (ACI) to obtain target focus and acquire 10.1 μm/pixel greyscale images. Chemical maps of organic and mineral signatures are acquired by the orchestration of an internal scanning mirror that moves the focused laser spot across discrete points on the target surface where spectra are captured on the spectrometer detector. ACI images and chemical maps (< 100 μm/mapping pixel) will enable the first Mars in situ view of the spatial distribution and interaction between organics, minerals, and chemicals important to the assessment of potential biogenicity (containing CHNOPS). Single robotic arm placement chemical maps can cover areas up to 7x7 mm in area and, with the < 10 min acquisition time per map, larger mosaics are possible with arm movements. This microscopic view of the organic geochemistry of a target at the Perseverance field site, when combined with the other instruments, such as Mastcam-Z, PIXL, and SuperCam, will enable unprecedented analysis of geological materials for both scientific research and determination of which samples to collect and cache for Mars sample return.

Rohit Bhartia↗

Rifts of deeply eroded Hawaiian basaltic shields: A structural analog for large Martian volcanoes

Recently derived morphologic evidence suggests that intrusive events have not only influenced the growth of young shield volcanoes on Mars but also the distribution of volatiles surrounding these volcanoes: in addition to rift zones and flank eruptions on Arsia Mons and Pavonis Mons, melt water channels were identified to the northwest of Hecates Tholus, to the south of Hadriaca Patera, and to the SE of Olympus Mons. Melt water release could be the surface expression of tectonic deformation of the region or, potentially, intrusive events associated with dike emplacement from each of these volcanoes. In this study the structural properties of Hawaiian shield volcanoes were studied where subaerial erosion has removed a sufficient amount of the surface to enable a direct investigation of the internal structure of the volcanoes. The field investigation of dike morphology and magma flow characteristics for several volcanoes in Hawaii is reported. A comprehensive investigation was made of the Koolau dike complex that passes through the summit caldera. A study of two other dissected Hawaiian volcanoes, namely Waianae and East Molokai, was commenced. The goal is not only to understand the emplacement process and magma flow within these terrestrial dikes, but also to explore the possible role that intrusive events may have played in volcano growth and the distribution of melt water release on Mars.

Knight, Michael D.↗

Characterizing the LANDSAT Global Long-Term Data Record

The effects of global climate change are fast becoming politically, sociologically, and personally important: increasing storm frequency and intensity, lengthening cycles of drought and flood, expanding desertification and soil salinization. A vital asset in the analysis of climate change on a global basis is the 34-year record of Landsat imagery. In recognition of its increasing importance, a detailed analysis of the Landsat observation coverage within the US archive was commissioned. Results to date indicate some unexpected gaps in the US-held archive. Fortunately, throughout the Landsat program, data have been downlinked routinely to International Cooperator (IC) ground stations for archival, processing, and distribution. These IC data could be combined with the current US holdings to build a nearly global, annual observation record over this 34-year period. Today, we have inadequate information as to which scenes are available from which IC archives. Our best estimate is that there are over four million digital scenes in the IC archives, compared with the nearly two million scenes held in the US archive. This vast pool of Landsat observations needs to be accurately documented, via metadata, to determine the existence of complementary scenes and to characterize the potential scope of the global Landsat observation record. Of course, knowing the extent and completeness of the data record is but the first step. It will be necessary to assure that the data record is easy to use, internally consistent in terms of calibration and data format, and fully accessible in order to fully realize its potential.

Arvidson, T.↗

Numerical simulation of spacecraft charging phenomena

A numerical simulation program is being constructed having the following features: (1) infinite circular cylindrical geometry with angle-dependence, (2) inclusion of incident particles, photoelectrons, secondary electrons, backscattered electrons, any gun emissions, and any internal current pathways including surface conductive layers, (3) quasistatic time-dependent iteration, in which sheath potential changes during particle transit times are ignored, (4) use of approximate, locally-dependent space charge density expressions in solving Poisson's equation for sheath potentials, with use of numerical orbit-following to determine surface currents, and (5) incident particle velocity distributions isotropic or beam-like, or some superposition of these. Rationales for each of these features are discussed.

Laframboise, J. G.↗

Geoid anomalies in a dynamic earth

Potential and surface deformation Love numbers for internal loading have been calculated in order to obtain a dynamically consistent relationship between the geoid and the earth's response to internal buoyancy forces. These quantities depend on the depth and harmonic degree of loading, and can be integrated as Green functions to obtain the dynamic response due to an arbitrary distribution of internal density contrasts. Constructing a series of spherically symmetric, self-gravitating flow models for a variety of radial Newtonian viscosity variations and flow configurations, and calculating relaxation times for spherically symmetric viscous earth models, it is demonstrated that boundary deformation due to internal loading reaches its equilibrium value on the same time scale as postglacial rebound; this is much less time than the time scale for significant change in the convective flow pattern.

Richards, M. A.↗

The ultraviolet albedo of Mars

Ultraviolet observations have proven successful at studying the composition and structure of the upper atmospheres of the giant planets and Venus. In the case of Mars, the analysis of UV data has concentrated on the spatial distribution and temporal behavior of ozone. The potential of far ultraviolet (FUV) data (shortward of 200 nm) for measuring the atmospheric structure, in particular the vertical distribution of aerosols, is demonstrated. For illustrative purposes, a simple two layer model (atmosphere and surface) is computed using the atmospheric composition measured at the Viking landing sites. This model is then compared to the albedo observed with the International Ultraviolet Explorer (IUE). This comparison clearly shows that a clear atmosphere with the nominal Viking mixing ratios of CO2, O2, and H2O is incompatible with the IUE data shortward of 200 nm. To obtain a better match between data and model, an aerosol has to be introduced that effectively scatters at these wavelengths. The required reduction in effective CO2 pathlength is a factor of 5. The comparison also points out the inadequacy of the IUE to provide data in the critical wavelength region between 195 nm and 210 nm. Such data will be forthcoming from the Hubble Space Telescope and will provide the opportunity to infer the vertical distribution of aerosols on Mars on a global scale.

Wagener, R.↗

Charge collection during hypervelocity penetrations of thin foils

The following represents trajectory sensor development work for the space-station-based Cosmic Dust Collection Facility (CDCF). This facility-class payload was to expose some 7 sq m of NASA-provided general-user instruments in addition to three instruments provided by formally selected principal investigators. The preferred trajectory sensor for this general-user instrument envisioned the detection of impact-triggered plasma for both velocity measurement and location instruments. Space station developments in late 1992/early 1993 lead to cancellation of this potential flight project, for both technical and fiscal reasons. This precipitated termination of all plasma detection work at JSC on behalf of CDCF's general-user instrument. The following comprises three informal reports that summarize the CDCF efforts regarding plasma sensing for trajectory determinations. The reports were initially written for internal CDCF use and were not widely distributed. Because no formal publications are envisioned at present, the three reports are included in full in this document. They not only demonstrate that substantial progress was accomplished in the development of plasma trajectory sensors during 1990-1992, but the results are hopefully of interest and use to others who may continue these developments. The chronological sequence of these three reports is reversed, with the first containing the latest information.

Peterson, Robert B.↗

Evaluation of Iodine and Silver as Biocides for Potable Water in Human Missions beyond Low Earth Orbit

Chemical biocides play an important role in potable water storage and distribution systems. They provide protection against microbial growth that can negatively impact efficient water transport and crew health. Molecular iodine and ionic silver have been used on the International Space Station for decades. Future orbiting and surface habitats will have potable water systems that will require reliable potable water storage and challenging transport schemes during daily operations with potentially lengthy and repeated periods of non-use. Based on a review of literature, experimental data, and flight data this paper categorizes the advantages and disadvantages of the two heritage biocides on ISS: iodine and silver. The history of biocide practices on ISS is compared to requirements of future human missions beyond low Earth Orbit. The upstream water quality supply and downstream water uses are defined with respect to the two biocides. The methods of injection and removal of the two biocides are compared for a range of downstream water uses including drinking water, hygiene water, technical water, oxygen generation water, and extravehicular activity water. The paper provides mission planners with a technical and engineering assessment of the two biocides and identifies gaps in knowledge and on-orbit experiences.

Dean Muirhead↗

Dissociation and Internal Excitation of Molecular Nitrogen Due to N + N2 Collisions Using Direct Molecular Simulation

In this work we present a molecular level study of N2+N collisions, focusing on excitation of internal energy modes and non-equilibrium dissociation. The computation technique used here is the direct molecular simulation (DMS) method and the molecular interactions have been modeled using an ab−initio potential energy surface (PES) developed at NASA's Ames Research Center. We carried out vibrational excitation calculations between 5000K and 30000K and found that the characteristic vibrational excitation time for the N + N2 process was an order of magnitude lower than that predicted by the Millikan and White correlation. It is observed that during vibrational excitation the high energy tail of the vibrational energy distribution gets over populated first and the lower energy levels get populated as the system evolves. It is found that the non-equilibrium dissociation rate coefficients for the N + N2 process are larger than those for the N2 + N2 process. This is attributed to the non-equilibrium vibrational energy distributions for the N + N2 process being less depleted than that for the N2 +N2 process. For an isothermal simulation we find that the probability of dissociation goes as 1/T(sub tr) for molecules with internal energy (epsilon(sub int)) less than approximately 9.9eV, while for molecules with epsilon (sub int) greater than 9.9eV the dissociation probability was weakly dependent on translational temperature of the system. We compared non-equilibrium dissociation rate coefficients and characteristic vibrational excitation times obtained by using the ab-initio PES developed at NASA's Ames Research Center to those obtained by using an ab-initio PES developed at the University of Minnesota. Good agreement was found between the macroscopic properties and molecular level description of the system obtained by using the two PESs.

Grover, Maninder S.↗

HIGH-LOW FIDELITY THERMAL HYDRAULIC COUPLING USING AI/MACHINE LEARNING ALGORITHMS

The primary goal of the US Department of Energy (DOE) office of Nuclear Energy Integrated Energy Systems (IES) program is to develop the tools and framework for coupling multi-scale and multi-physical thermal and electrical energy usage and storage systems. High- and low-fidelity (high–low) coupling is a key feature of multi-scale, multi-component systems and has been an important focus of research in the nuclear energy community for the past two decades. An essential feature of demonstrating the capability to couple high-fidelity and low-fidelity systems for real-time applications are surrogate/reduced order models (ROM). For the purposes of this study, surrogate models are essentially Blackbox models, typically developed using supervised Machine learning (ML) algorithms. The surrogate models can be used to mimic the response of high-fidelity models to represent large historical datasets and coupled with more general low-fidelity system models distributed as Functional Mock-up Interface (FMI) or Functional Mock-up Units (FMU) modules. The example is demonstrated with Spallation Neutron Source (SNS) First Target Station flow loop data. The flow loop is a liquid mercury loop with a pump, piping, heat exchange, and internal heat generation in the target window. This work elucidates some of the potential benefits and future needs of developing tools for high–low system coupling of energy systems.

Williams, Wesley↗

Probing Hydrogen-Bond Anharmonicity in Cocrystals with Colossal Thermal Expansion

Organic cocrystals with sizable anisotropic thermal expansion (TE) are attractive building blocks for thermally responsive soft actuators. Such materials often display intermolecular H-bonding, whose thermal strength fluctuations are frequently overlooked if displacements and/or conformational changes are visible during TE. In this work, we employed variable-temperature single-crystal synchrotron diffraction to investigate the linear expansion coefficients of two organic cocrystals, 1 and 2, which exhibit colossal thermal expansivity exceeding 140 MK –1 . Despite such pronounced TE, solid-state 2 H and 13 C NMR experiments show no evidence of fast internal reorientations or large-amplitude molecular displacement during expansion. Although nondirectional π–π stacking dominates the colossal TE, our results indicate that hydrogen bonds play a non-negligible role in the anisotropic response. Molecular dynamics simulations reveal a temperature-dependent broadening of H-bond length distributions, which arises from the increased thermal sampling of an anharmonic potential energy surface. Our data support an expansion mechanism based on cooperativity in π-π interactions, accompanied by thermal softening and fluctuation-driven stretching of directional hydrogen bonds in these molecular solids. This mechanism underscores the significance of directional interactions in organic cocrystals, which is a key factor in the design of organic thermoresponsive crystalline materials.

Hernández-Morales, Ernesto A. [Univ. Nacional Auto↗

The Aerosol Component of the ACCP Designated Observable Study

The 2017 Earth Science Decadal Survey (DS) recommended science and applications priorities to be pursued by NASA during the 2017-2027 timeframe. Aerosols (A) and clouds, convection, and precipitation (CCP) were identified as essential “designated observables” requiring additional capabilities beyond those planned in the current Program of Record. The DS recommended NASA develop a medium-to-large mission to address these observables, which would represent foundational elements of the future global observing system. In response, NASA initiated a 3-year study, to conclude in 2021, of a combined ACCP architecture, including identification of science and application goals and objectives, desired geophysical variables, and observing system capabilities. The goal of the study is to develop and explore a variety of concepts and develop several recommendations. ACCP science objectives include improving characterization of the distribution and properties of aerosols, the direct and indirect impacts of aerosol on the radiation budget, and improving understanding of aerosol processes related to air quality. The study is currently exploring satellite architecture concepts and suborbital measurements to provide desired observational capabilities, within the context of the planned international Earth observation program. This presentation will summarize ACCP science objectives and the potential suite of aerosol-oriented observing system capabilities.

David M Winker↗

Retiring environmental risks of marine renewable energy devices: The “habitat change” case

The installation, presence, operation, and decommissioning of marine renewable energy (MRE) devices inevitably alters the surrounding ocean habitats. These changes may include direct effects on the benthos from the installation or removal of foundations and anchors, changes in community composition on and near devices, artificial reef effects, and indirect effects such as alteration of the food web or facilitation of non-native, invasive species dispersal. Although there is no expectation that MRE devices affect marine environments differently than other anthropogenic ocean uses, regulators and stakeholders continue to have questions about potential negative impacts to species and habitats from development. Research studies and survey reports that inform our understanding of habitat changes related to MRE devices and associated equipment were compiled into an evidence base, sorted into categories of effects, and evaluated by a group of international experts to assess potential risk to habitats and biota from small numbers of MRE devices, as well as to identify knowledge gaps. These gaps were organized by category and divided up by relevance to consenting, research, or project development and monitoring responsibilities. Identifying these “known unknowns” allows for study design and collaboration from various perspectives to fill the knowledge gaps. Distribution of the evidence base and remaining uncertainties and knowledge gaps to the MRE community, coupled with new research, will help advance the MRE industry while resolving concerns about the potential risks of habitat change for small numbers of devices.

Hemery, Lenaig G.↗

Activated recombinative desorption: A potential component in mechanisms of spacecraft glow

The concept of activated recombination of atomic species on surfaces can explain the production of vibrationally and translationally excited desorbed molecular species. Equilibrium statistical mechanics predicts that the molecular quantum state distributions of desorbing molecules is a function of surface temperature only when the adsorption probability is unity and independent of initial collision conditions. In most cases, the adsorption probability is dependent upon initial conditions such as collision energy or internal quantum state distribution of impinging molecules. From detailed balance, such dynamical behavior is reflected in the internal quantum state distribution of the desorbing molecule. This concept, activated recombinative desorption, may offer a common thread in proposed mechanisms of spacecraft glow. Using molecular beam techniques and equipment available at Los Alamos, which includes a high translational energy 0-atom beam source, mass spectrometric detection of desorbed species, chemiluminescence/laser induced fluorescence detection of electronic and vibrationally excited reaction products, and Auger detection of surface adsorbed reaction products, a fundamental study of the gas surface chemistry underlying the glow process is proposed.

Cross, J. B.↗

Assessment of Sodium Thermal Stratification Models Utilizing the TSTF Benchmark

As a result of certain transient scenarios, a thermally stratified layer of liquid sodium can develop in the bulk coolant volumes of a sodium-cooled fast reactor (SFR). In addition to the effects a stratification layer has on the temperature of the heat transport system, a stratification layer can also influence the transition to and establishment of natural circulation flow, which plays an important role in passive cooling and the inherent safety of a pool-type SFR. Therefore, the ability to accurately capture thermal stratification phenomena is important when demonstrating the safety basis of a pool-type SFR during transient sequences. The present work assesses various computational models with different fidelities in their ability to predict thermal stratification in the upper plenum of an SFR. Each computational model will be assessed using the data generated at the Thermal Stratification Test Facility (TSTF) located at the University of Wisconsin-Madison. Using measured flow rate and inlet temperature data, the measured temperature distributions of the tests are compared to the predictions of the lumped volume-based models in SAS4A/SASSYS-1, a 1D-based model in SAM, and a 3-D computational fluid dynamics (CFD) model using STAR-CCM+. The relative performance of the various computational methods is assessed with respect to key metrics such as bulk coolant temperature distribution and plenum exit temperature. A total of eight tests are analyzed, covering different combinations of flow rates (3 and 10 GPM) and upper internal structure (UIS) configurations (none, solid, porous, and open) The perfect mixing model of SAS4A/SASSYS-1 provides the highest accuracy when the flow rate is high and there is no UIS in the test vessel, as high flow rate injection promotes thermal mixing of the sodium in the test vessel. For most of the analyzed tests, the stratified volume model of SAS4A/SASSYS-1 is able to predict the delay in the outlet temperature drop and temperature distribution in the test vessel by a small number of layers to represent thermal stratification. However, the stratified volume model can only simulate a maximum of three temperature layers within a volume and when a layer approaches the elevation of the outlet, the predicted outlet temperature can demonstrate rapid, non-physical changes. The 1-D axial mixing model of SAM provides results that agree reasonably well with the measured data in the prediction of the temporal evolution of the outlet temperature with the exception of the case with a high flow rate and no UIS. The SAM 1-D model has a similar level of accuracy to CFD results when it comes to predicting the outlet temperature. CFD shows overall good agreement in predicting the temperature distribution in the test vessel and outlet temperature. As CFD can model the test vessel geometry in detail, it performs well in the cases of complex geometries such as tests that included a UIS and internal flow through the UIS resulting in active mixing of the coolant in the test vessel. Each of the models discussed in the present work has the potential to be useful during the various stages of reactor design, analysis, and licensing. The lumped-volume approach can be applied for fast turnaround safety calculations to obtain overall reactor behavior during transients. The 1-D models provide improved accuracy when stratification is expected for a relatively low increase in the computational cost. The CFD model can be utilized for confirmatory analysis of the 1-D model, when experimental measurements are not available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Effect of Ligand Polarity on the Internal Dipoles and Ferroelectric Distortion in BaTiO 3 Nanocubes

Here, surface adsorbates and surrounding matrix species have been demonstrated to affect the properties of nanoscale ferroelectrics and nanoscale ferroelectric composites; potentially counteracting performance losses that can occur in small particle sizes. In this work, the effects of nonpolar oleic acid (OA) and polar tetrafluoroborate (BF 4 - ) ligand capping on the surface of various sizes of BaTiO 3 nanocubes have been investigated with combined neutron diffraction and neutron pair distribution function (PDF), density functional theory (DFT), and ab initio molecular dynamics (AIMD) methods. The low real space PDF region provides an unobstructed view of rhombohedral (split short and long) Ti-O distances in BaTiO 3 nanocubes, mimicking the well-established order-disorder local structure found in bulk BaTiO 3 . Interestingly, the intermediate-range order in nanocubes is found to be orthorhombic, rather than tetragonal. It is concluded that polar ligands adsorbed at BaTiO 3 surfaces stabilize the correlation length scale of local rhombohedral distortions in ferroelectric nanoparticles relative to nonpolar ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CFD simulations of Molten Salt Fast Reactor core cavity flows

Computational Fluid Dynamics (CFD) has become increasingly important in the research and development of advanced nuclear reactors. Here, in the current study, extensive CFD simulations were conducted for the coolant flow in Molten Salt Fast Reactor (MSFR) core models using the state-of-the-art spectral element flow solver Nek5000 and multiscale coarse-mesh thermal-hydraulic software Pronghorn. The underlying motivation is to seek an in-depth understanding of how the internal velocity distribution can be influenced by the MSFR core cavity shape, the Reynolds number, turbulence modeling options and the inlet boundary conditions. The CFD techniques involved in this investigation range from coarse-mesh CFD, RANS modeling, to the high-fidelity LES calculations. Specifically, a series of RANS simulations were performed for the 2-D axisymmetric core model and 3-D wedge domains to study the flow distribution inside the MSFR core. It is observed that a proper representation of the MSFR inlet channel duct is important for the prediction of internal flow distribution. It is also showcased here how researchers can leverage the Nek5000 CFD results to calibrate more efficient coarse-mesh CFD tools, like Pronghorn, for the actual MSFR design needs. Moreover, this paper highlights a 3-D LES model for an entire MSFR core using the spectral element method and demonstrates the feasibility of this modeling approach. The readiness and potential limitations of the RANS approach are examined with respect to the high-fidelity LES simulations. The present investigation lays a solid foundation as we are leveraging the high-fidelity CFD capabilities to inform MSFR design efforts.

97 MATHEMATICS AND COMPUTING↗