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At least 109 records · Page 6

Report on Pure Mathematics of Machine Learning

We report on the findings conducted by the Pure Mathematics in Machine Learning (PMML) Project under the umbrella of the Mathematics in Artificial Reasoning in Sciences (MARS) Laboratory Initiative at the Pacific Northwest National Laboratory. The findings contained in this report spans three years of research from the project team. The objectives of the PMML project are two-fold: 1. To gain understanding of modern machine learners through empirical research via structured and sound experimental design, and 2. To prove mathematical theories based upon these empirical findings. We present both empirical results along with mathematical theories in this document.

97 MATHEMATICS AND COMPUTING↗

Exposure to multiple ion beams, broadly representative of galactic cosmic rays, causes perivascular cardiac fibrosis in mature male rats

Long-duration space exploratory missions to the Earth’s moon and the planet Mars are actively being planned. Such missions will require humans to live for prolonged periods beyond low earth orbit where astronauts will be continuously exposed to high energy galactic cosmic rays (GCRs). A major unknown is the potential impact of GCRs on the risks of developing degenerative cardiovascular disease, which is a concern to NASA. A ground-based rat model has been used to provide a detailed characterization of the risk of long-term cardiovascular disease from components of GCRs at radiation doses relevant to future human missions beyond low earth orbit. Six month old male WAG/RijCmcr rats were irradiated at a ground-based charged particle accelerator facility with high energy ion beams broadly representative of GCRs: protons, silicon and iron. Irradiation was given either as a single ion beam or as a combination of three ion beams. For the doses used, the single ion beam studies did not show any significant changes in the known cardiac risk factors and no evidence of cardiovascular disease could be demonstrated. In the three ion beam study, the total cholesterol levels in the circulation increased modestly over the 270 day follow up period, and inflammatory cytokines were also increased, transiently, 30 days after irradiation. Perivascular cardiac collagen content, systolic blood pressure and the number of macrophages found in the kidney and in the heart were each increased 270 days after irradiation with 1.5 Gy of the three ion beam grouping. These findings provide evidence for a cardiac vascular pathology and indicate a possible threshold dose for perivascular cardiac fibrosis and increased systemic systolic blood pressure for complex radiation fields during the 9 month follow up period. The development of perivascular cardiac fibrosis and increased systemic systolic blood pressure occurred at a physical dose of the three ion beam grouping (1.5 Gy) that was much lower than that required to show similar outcomes in earlier studies with the same rat strain exposed to photons. Further studies with longer follow up periods may help determine whether humans exposed to lower, mission-relevant doses of GCRs will develop radiation-induced heart disease.

60 APPLIED LIFE SCIENCES↗

Corundum Discovered by SuperCam and the Perseverance Rover at Jezero Crater, Mars

Minerals provide clues to the type of geologic environments in which they form. The primary types of minerals that have been identified on Mars indicate a history dominated by volcanism followed by interaction with water. However, other minerals are sometimes found. Here we present results from the SuperCam instrument on the Perseverance rover in which the mineral corundum (α-Al2O3) has been identified using a technique called time-resolved luminescence spectroscopy. Corundum has a unique light-emitting (luminescence) feature based on two well-known peaks as well as the time it takes for this light to fade after being excited by a laser, which is referred to as the lifetime. Corundum forms in specific environments that are enriched in aluminum and depleted in silicon and have been subjected to high temperature and pressure. Such places include deep subsurface magmas or shallower locations that have been exposed to high temperature through tectonic processes or meteorite impacts. Given their small size, association with a mineral called plagioclase, and location on the heavily impacted crater rim, we propose that these corundum minerals formed through impact processes.

58 GEOSCIENCES↗

In Situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study

Effective methane utilization for either clean power generation or value-added chemical production has been a subject of growing attention worldwide for decades, yet challenges persist mostly in relation to methane activation under mild conditions. Here, we report hematite, an earth-abundant material, to be highly effective and thermally stable to catalyze methane combustion at low temperatures (<500 °C) with a low light-off temperature of 230 °C and 100% selectivity to CO 2 . The reported performance is impressive and comparable to those of precious-metal-based catalysts, with a low apparent activation energy of 17.60 kcal·mol –1 . Our theoretical analysis shows that the excellent performance stems from a tetra-iron center with an antiferromagnetically coupled iron dimer on the hematite (110) surface, analogous to that of the methanotroph enzyme methane monooxygenase that activates methane at ambient conditions in nature. Isotopic oxygen tracer experiments support a Mars van Krevelen redox mechanism where CH 4 is activated by reaction with a hematite surface oxygen first, followed by a catalytic cycle through a molecular-dioxygen-assisted pathway. Surface studies with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations reveal the evolution of reaction intermediates from a methoxy CH 3 –O–Fe, to a bridging bidentate formate b-HCOO–Fe, to a monodentate formate m-HCOO–Fe, before CO 2 is eventually formed via a combination of thermal hydrogen-atom transfer (HAT) and proton-coupled electron transfer (PCET) processes. Finally, the elucidation of the reaction mechanism and the intermediate evolutionary profile may allow future development of catalytic syntheses of oxygenated products from CH 4 in gas-phase heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA’s first ground-based Galactic Cosmic Ray Simulator: Enabling a new era in space radiobiology research

With exciting new NASA plans for a sustainable return to the moon, astronauts will once again leave Earth’s protective magnetosphere only to endure higher levels of radiation from galactic cosmic radiation (GCR) and the possibility of a large solar particle event (SPE). Gateway, lunar landers, and surface habitats will be designed to protect crew against SPEs with vehicle optimization, storm shelter concepts, and/or active dosimetry; however, the ever penetrating GCR will continue to pose the most significant health risks especially as lunar missions increase in duration and as NASA sets its aspirations on Mars. The primary risks of concern include carcinogenesis, central nervous system (CNS) effects resulting in potential in-mission cognitive or behavioral impairment and/or late neurological disorders, degenerative tissue effects including circulatory and heart disease, as well as potential immune system decrements impacting multiple aspects of crew health. Characterization and mitigation of these risks requires a significant reduction in the large biological uncertainties of chronic (low-dose rate) heavy-ion exposures and the validation of countermeasures in a relevant space environment. Historically, most research on understanding space radiation-induced health risks has been performed using acute exposures of monoenergetic single-ion beams. However, the space radiation environment consists of a wide variety of ion species over a broad energy range. Using the fast beam switching and controls systems technology recently developed at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory, a new era in radiobiological research is possible. NASA has developed the “GCR Simulator” to generate a spectrum of ion beams that approximates the primary and secondary GCR field experienced at human organ locations within a deep-space vehicle. The majority of the dose is delivered from protons (approximately 65%–75%) and helium ions (approximately 10%–20%) with heavier ions (Z ≥ 3) contributing the remainder. The GCR simulator exposes state-of-the art cellular and animal model systems to 33 sequential beams including 4 proton energies plus degrader, 4 helium energies plus degrader, and the 5 heavy ions of C, O, Si, Ti, and Fe. A polyethylene degrader system is used with the 100 MeV/n H and He beams to provide a nearly continuous distribution of low-energy particles. A 500 mGy exposure, delivering doses from each of the 33 beams, requires approximately 75 minutes. To more closely simulate the low-dose rates found in space, sequential field exposures can be divided into daily fractions over 2 to 6 weeks, with individual beam fractions as low as 0.1 to 0.2 mGy. In the large beam configuration (60 × 60 cm 2 ), 54 special housing cages can accommodate 2 to 3 mice each for an approximately 75 min duration or 15 individually housed rats. On June 15, 2018, the NSRL made a significant achievement by completing the first operational run using the new GCR simulator. This paper discusses NASA’s innovative technology solution for a ground-based GCR simulator at the NSRL to accelerate our understanding and mitigation of health risks faced by astronauts. Ultimately, the GCR simulator will require validation across multiple radiogenic risks, endpoints, doses, and dose rates.

59 BASIC BIOLOGICAL SCIENCES↗

Waste Compliance and Tracking System (WCATS) Version 3 Requirements Document

This document describes the end-user requirements for the Waste Compliance and Tracking System (WCATS) project in accordance with the WCATS Software Quality Management Plan, EPC-WMP-WCATSPLAN-001. The WCATS application shall support the generation, characterization, processing, and shipment of LANL radioactive, hazardous, and industrial waste. Regulatory drivers include RCRA hazardous waste, DOT shipping, NNSA nuclear material control and accountability, DOE nuclear safety, TSDF permit, and transuranic waste certification requirements. The system will utilize a task-based architecture that supports the spectrum of treatment, storage, disposal, administrative, and characterization based unit operations necessary to manage waste from cradle to grave. The application design shall readily accommodate new facilities, processes, workflow, signature requirements, and so forth, via end-user established metadata. WCATS will provide support for representing waste storage and disposal facilities, buildings, rooms, and grid layouts (x, y, z) to support waste and radioactive material inventory management. Nuclear material at risk (MAR), DOE hazard rating (e.g., Category II facility) compliance per DOE-STD-1027, and permit inventory requirements will be configurable for any storage or disposal facility, or waste operation, and the system will automatically evaluate and enforce those requirements. In addition, the application will support the characterization and management of the entire range of hazardous and radioactive wastes (TRU, MTRU, LLW, MLLW, hazardous waste, etc.) that might be colocated or processed at a permitted facility. Some capabilities not found in traditional systems include user-defined tank systems for liquid waste, user-defined work paths (i.e., sequence of operations), and an equipment subsystem for tracking the calibration, maintenance, and inspection of tools used to process waste, such as torque wrenches, scales, pH probes, etc. The application incorporates a desktop and mobile user interface as shown in Figure 1. The mobile interface supports field operations, such as waste item characterization, intra-facility transfers, internal and external audits, and shipment preparation and receipt.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Constraints on the Gamma-Ray Emission from Small Solar System Bodies with the Fermi Large Area Telescope Data

All known small solar system bodies have diameters between a few meters and a few thousands of kilometers. Based on the collisional evolution of solar system bodies, a larger number of asteroids with diameters down to ~2 m is thought to exist. As all solar system bodies, small bodies can be passive sources of high-energy gamma-rays, produced by the interaction of energetic cosmic rays impinging on their surfaces. Since the majority of known asteroids are in orbits between Mars and Jupiter (in a region known as the Main Belt), we expect them to produce a diffuse emission close to the ecliptic plane. In this work, we have studied the gamma-ray emission coming from the ecliptic using the data collected by the Large Area Telescope (LAT) onboard the Fermi satellite. We have fit the results with simulations of the gamma-ray intensity at the source level (calculated with the software FLUKA) to constrain the small solar system bodies population. Finally, we have proposed a model describing the distribution of asteroid sizes and we have used the LAT data to constrain the gamma-ray emission expected from this model and, in turn, on the model itself.

79 ASTRONOMY AND ASTROPHYSICS↗

Develop Renewable/Sustainable Material to Displace Petroleum-Derived Polymer Foams (CRADA Final Report)

NLR and EDEN will partner together to develop renewable, biodegradable alternatives to polyfoam (polyurethane) polymer foams. The initial focus will be on developing cellulose-based foam with tunable mechanical properties. NLR will produce and test the cellulose-based foam materials and characterize its microstructure and mechanical properties. Relationships between mechanical performance formulation and fabrication methods will be developed.

09 BIOMASS FUELS↗

Analysis of Alternative Core Designs for Fission Surface Power Capability Demonstration Mission (V.1.0)

NASA’s Space Technology Mission Directorate (STMD) intends to demonstrate a 10 kWe fission surface power (FSP) system on the surface of the Moon as part of a Capability Demonstration Mission. STMD tasked a joint NASA-DOE team to ‘outline an FSP reactor concept that can be readied for 2027 launch,’ and serves ‘as a pathfinder for future power modules for Mars.’ Tables 1 and 2 respectively list FSP performance requirements and design guidance provided for the study. DOE is the leading agency for the reactor module, reactor controls and radiation shielding, and shares joint responsibility for the overall FSP system. This report summarizes an analysis of alternative reactor classes and shielding configurations carried out by the DOE national laboratories. Representative reactor and shielding configurations were based on heritage and are in alignment with the industry initiatives. This report presents no recommendations on the appropriate choice of fuel or class of reactor that NASA should pursue. Instead the focus here is to provide a summary and findings of analyses carried out by DOE national laboratory personnel.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An Accurate and Automated Convective Vortex Detection Method for Long-Duration Infrasound Microbarometer Data

Heating of the surficial layer of the atmosphere often generates convective vortices, known as “dust devils” when they entrain visible debris. Convective vortices are common on both Earth and Mars, where they affect the climate via dust loading, contribute to wind erosion, impact the efficiency of photovoltaic systems, and potentially result in injury and property damage. However, long-duration terrestrial convective vortex activity records are rare. We have developed a high-precision and high-recall method to extract convective vortex signatures from infrasound microbarometer data streams. The techniques utilizes a wavelet-based detector to capture potential events and then a template matching system to extract the duration of the vortex. Since permanent and temporary infrasound sensors networks are present throughout the globe (many with open data), our method unlocks a vast new convective vortex dataset without requiring the deployment of specialized instrumentation.

54 ENVIRONMENTAL SCIENCES↗

Incoherent electronic band states in Mn-substituted BaFe 2 As 2

Chemical substitution is commonly used to explore new ground states in materials, yet the role of disorder is often overlooked. In Mn-substituted BaFe 2 ⁢As 2 (MnBFA), superconductivity (SC) is absent, despite being observed for nominal hole-doped phases. Instead, a glassy magnetic phase emerges, associated with the S = 5/2 Mn local spins. In this work, we present a comprehensive investigation of the electronic structure of MnBFA using angle-resolved photoemission spectroscopy (ARPES). We find that Mn causes a small and orbital-specific reduction of the electron pockets, only partially disrupting nesting conditions. Based upon the analysis of the spectral properties, we observe, for all bands, an increase in the electronic scattering rate as a function of Mn content. This is interpreted as increasing band incoherence, which we propose as the primary contributor to the suppression of the magnetic order in MnBFA. Further, this finding connects the MnBFA electronic band structure properties to the glassy magnetic behavior observed in these materials and suggests that SC is absent because of the collective magnetic impurity behavior that scatters the Fe-derived excitations. Additionally, our analysis shows that the binding energy (E B ) dependence of the imaginary part of the self-energy [Im⁡Σ⁡(E B )] is best described by a fractional scaling (Im⁡Σ⁡(E B )∝$\sqrt-E_{B}$). These results indicate that Mn tunes MnBFA into an electronic disordered phase between the correlated Hund's metal in BaFe 2 ⁢As 2 and the Hund's insulator in BaMn 2 ⁢As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Neural network based fast prediction of β N limits in HL-2M

Artificial neural networks (NNs) are trained, based on the numerical database, to predict the no-wall and ideal-wall β N limits, due to onset of the n = 1 ( n is the toroidal mode number) ideal external kink instability, for the HL-2M tokamak. The database is constructed by toroidal computations utilizing both the equilibrium code CHEASE (Lütjens et al 1992 Comput. Phys. Commun. 69 287) and the stability code MARS-F (Liu et al 2000 Phys. Plasmas 7 3681). The stability results show that (1) the plasma elongation generally enhances both β N limits, for either positive or negative triangularity plasmas; (2) the effect is more pronounced for positive triangularity plasmas; (3) the computed no-wall β N limit linearly scales with the plasma internal inductance, with the proportionality coefficient ranging between 1 and 5 for HL-2M; (4) the no-wall limit substantially decreases with increasing pressure peaking factor. Furthermore, both the NN model and the convolutional neural network (CNN) model are trained and tested, producing consistent results. The trained NNs predict both the no-wall and ideal-wall limits with as high as 95% accuracy, compared to those directly computed by the stability code. Additional test cases, produced by the Tokamak Simulation Code (Jardin et al 1993 Nucl. Fusion 33 371), also show reasonable performance of the trained NNs, with the relative error being within 10%. The constructed database provides effective references for the future HL-2M operations. The trained NNs can be used as a real-time monitor for disruption prevention in the HL-2M experiments, or serve as part of the integrated modeling tools for ideal kink stability analysis.

Physics↗

Non-traditional stable isotope measurements using laser desorption Orbitrap mass spectrometry: Implications for planetary missions.

Isotopic fractionation recorded in planetary materials provides insights into physical, chemical, and/or potential biological processes occurring on Solar System bodies. As we enter into the next decades of planetary exploration, the crucial information revealed by isotopic compositions of rocky and icy samples mandates that next generation spaceflight instrumentation possess the capability to measure isotope ratios in situ with sufficient precision/accuracy to distinguish between such processes. Here, in addition to identifying and fingerprinting complex organic materials with high accuracy and ultrahigh mass resolutions, laser desorption Orbitrap™ mass spectrometry (LD-O-MS) has the capability to determine the elemental and isotopic composition of solid planetary materials such as rock, regolith, organics, ice, etc. Here, we use a space-qualified LD-O-MS instrument comprising a 266 nm ultraviolet (UV) laser and Orbitrap mass analyzer ruggedized for planetary applications to investigate the stable isotopic composition of Ti and Zn metal plates. Based on the isotopic analyses, we constrain the performance of the CORALS instrument to sub per mille (‰) level accuracy and precision for Ti and at the per mille (‰) level for Zn. An LD-O-MS instrument is a versatile instrument capable of measuring isotopic composition of a variety of planetary samples and would constitute a critical instrument in the exploration of various planetary bodies including but not limited to Moon, Mars, Enceladus and other ocean or icy worlds, Ceres and other asteroids, and comets, thereby answering several high-priority questions pertaining to the formation and evolution of our Solar System.

58 GEOSCIENCES↗

Learning the Temporal Effect in Infrared Thermal Videos With Long Short-Term Memory for Quality Prediction in Resistance Spot Welding

With the advances of sensing technology, in-situ infrared thermal videos can be collected from Resistance Spot Welding (RSW) processes. Each video records the formulation process of a weld nugget. The nugget evolution creates a “temporal effect” across the frames, which can be leveraged for real-time, nondestructive evaluation (NDE) of the weld quality. Currently, quality prediction with imaging data mainly focuses on optical feature extraction with Convolutional Neural Network (CNN) but does not make the most of such temporal effect. In this study, pixels corresponding to critical locations on the weld nugget surface are extracted from a video to form multivariate time series (MTS). Multivariate Adaptive Regression Splines (MARS) is used in MTS processing to remove noisy signals related to uninformative frames. A Stacked Long Short-Term Memory (LSTM) model is developed to learn from the processed MTS and then predicts weld nugget size and thickness in real-time NDE. Results from a case study on RSW of Boron steel demonstrates the improvement in prediction accuracy and computational time with the proposed method, as compared to CNN-based weld quality prediction.

Guo, Shenghan↗

A New Crater Near InSight: Implications for Seismic Impact Detectability on Mars

A new 1.5 m diameter impact crater was discovered on Mars only ~40 km from the InSight lander. Context camera images constrained its formation between 21 February and 6 April 2019; follow-up High Resolution Imaging Science Experiment images resolved the crater. During this time period, three seismic events were identified in InSight data. In this paper, we derive expected seismic signal characteristics and use them to evaluate each of the seismic events. However, none of them can definitively be associated with this source. Atmospheric perturbations are generally expected to be generated during impacts; however, in this case, no signal could be identified as related to the known impact. Using scaling relationships based on the terrestrial and lunar analogs and numerical modeling, we predict the amplitude, peak frequency, and duration of the seismic signal that would have emanated from this impact. The predicted amplitude falls near the lowest levels of the measured seismometer noise for the predicted frequency. Hence, it is not surprising this impact event was not positively identified in the seismic data. Finding this crater was a lucky event as its formation this close to InSight has a probability of only ~0.2, and the odds of capturing it in before and after images are extremely low. We revisit impact-seismic discriminators in light of real experience with a seismometer on the Martian surface. Using measured noise of the instrument, we revise our previous prediction of seismic impact detections downward, from ~a few to tens, to just ~2 per Earth year, still with an order of magnitude uncertainty.

58 GEOSCIENCES↗

Effect of chlorine and chromium on sulfur solubility in low-activity waste glass

According to an empirical sulfur solubility model developed from over 200 simulated low-activity waste (LAW) glasses, chlorine and chromium show strong effects on lowering sulfur solubility in glass. This work was aimed at understanding the mechanism behind the negative effect of chlorine and chromium on sulfur solubility. A simplified LAW glass was prepared and saturated by sodium sulfate, sodium chloride, and sodium chromate salts as single components and as mixtures with different ratios at 25 mol%, 50 mol%, and 75 mol% of sulfate mixed with chloride or chromate. A crucible-scale salt-saturation was performed by mixing the crushed glass powder with an excess amount of salts, melting at 1150 °C for one hour, and quenching. Three mixing-melting-quenching cycles were applied to determine saturation concentrations of sulfur, chromium, and chlorine incorporated into the simplified LAW glass. The glass compositions were analyzed by inductively coupled plasma–atomic emission spectroscopy, ion chromatography, and X-ray emission spectroscopy. It is proposed that the negative effect of chlorine and chromium on sulfur solubility can be explained based on the simple hypothesis that sulfur, chlorine, and chromium are present in the glass as anions competing for the voids or interstitial sites of the glass matrix, and that their solubility strongly depends on the effective size of corresponding anions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discrete and Integrated Solutions for Hybrid PV Plants Without Momentary Cessation in Low SCR and High Penetration PE Grids

With the increased penetration of power electronic (PE) based loads and sources, advanced solutions may be required for the enhancement of grid stability in regions with low short circuit ratio (SCR) and high penetration PE grids. The requirement of advanced solutions arises from the gradual paradigm shift of the electric grid from the traditional electric machine dominant system to a high penetration of PE-based system. One of the major challenges with such systems in recent times is the momentary cessation during alternating current (ac) grid transmission faults. During momentary cessation, PE-based resources cease to operate, thus creating probable reliability challenges for the grid. In this paper, potential feasible options to provide continuity of operation during such scenarios are presented. The options are considered through identifying upgrades in existing and upcoming discrete development of photovoltaic (PV) and energy storage systems (ESS) termed as discrete hybrid PV plants. Additionally, an advanced concept of integrated development of PV and ESS connecting to ac transmission grid links called multi-port autonomous reconfigurable solar power plant (MARS) is evaluated. The developed new solutions are evaluated for different grid use cases and scenarios in PSCAD.

Marthi, Phani Ratna Vanamali↗

Spatiotemporal metabolic responses to water deficit stress in distinct leaf cell-types of poplar

The impact of water-deficit (WD) stress on plant metabolism has been predominantly studied at the whole tissue level. However, plant tissues are made of several distinct cell types with unique and differentiated functions, which limits whole tissue ‘omics’-based studies to determine only an averaged molecular signature arising from multiple cell types. Advancements in spatial omics technologies provide an opportunity to understand the molecular mechanisms underlying plant responses to WD stress at distinct cell-type levels. Here, we studied the spatiotemporal metabolic responses of two poplar ( Populus tremula× P. alba ) leaf cell types -palisade and vascular cells- to WD stress using matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI). We identified unique WD stress-mediated metabolic shifts in each leaf cell type when exposed to early and prolonged WD stresses and recovery from stress. During water-limited conditions, flavonoids and phenolic metabolites were exclusively accumulated in leaf palisade cells. However, vascular cells mainly accumulated sugars and fatty acids during stress and recovery conditions, respectively, highlighting the functional divergence of leaf cell types in response to WD stress. By comparing our MALDI-MSI metabolic data with whole leaf tissue gas chromatography-mass spectrometry (GC-MS)-based metabolic profile, we identified only a few metabolites including monosaccharides, hexose phosphates, and palmitic acid that showed a similar accumulation trend at both cell-type and whole leaf tissue levels. Overall, this work highlights the potential of the MSI approach to complement the whole tissue-based metabolomics techniques and provides a novel spatiotemporal understanding of plant metabolic responses to WD stress. This will help engineer specific metabolic pathways at a cellular level in strategic perennial trees like poplars to help withstand future aberrations in environmental conditions and to increase bioenergy sustainability.

59 BASIC BIOLOGICAL SCIENCES↗