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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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NASA NTRSDate not supplied

Sunglint-aided Methane Retrieval: Using Sentinel-2 to Quantify Offshore Oil and Gas Emissions

The extraction, production, and transportation of oil and gas via activities such as intentional venting and fugitive emissions are leading contributors to anthropogenic methane emissions. Offshore operations comprise a significant percentage of all oil and gas operations, yet emission monitoring over the ocean is insufficient. Due to low surface reflectance over the ocean, remote sensing measurements offshore are limited. Therefore offshore contributions to the overall global methane budget are unknown. Regulators such as the Bureau of Ocean and Energy Management (BOEM) and the Bureau of Safety and Environmental Enforcement (BSEE) are unable to validate operator-reported methane emission estimates. The NASA DEVELOP Program partnered with BOEM, BSEE, and SkyTruth to identify potential offshore methane sources in the Gulf of Mexico. Drawing upon existing retrieval methods to detect and quantify onshore methane emissions (Varon et al., 2021), we selected sunglint scenes to detect methane plumes over the ocean in Sentinel-2 imagery. We detected two methane plumes at the Constitution complex in the Gulf of Mexico and off the coast of Pointe-Noire, Congo. If expanded, these methods could serve a vital role in validating operator reporting and quantifying climate impacts of offshore oil and gas operations - complementing those of next generation satellites.

Katherine Howell↗
DOE OSTI2020

Multilevel Convergence Analysis of Multigrid-Reduction-in-Time

This study presents a multilevel convergence framework for multigrid-reduction-in-time (MGRIT) as a generalization of previous two-grid estimates. The framework provides a priori upper bounds on the convergence of MGRIT V- and F-cycles, with different relaxation schemes, by deriving the respective residual and error propagation operators. The residual and error operators are functions of the time-stepping operator, analyzed directly and bounded in the norm, both numerically and analytically. We present various upper bounds of different computational cost and varying sharpness. These upper bounds are complemented by proposing analytic formulae for the approximate convergence factor of V-cycle algorithms that take the number of fine grid time points, the temporal coarsening factors, and the eigenvalues of the time-stepping operator as parameters. The paper concludes with supporting numerical investigations of parabolic (anisotropic diffusion) and hyperbolic (wave equation) model problems. We assess the sharpness of the bounds and the quality of the approximate convergence factors. Observations from these numerical investigations demonstrate the value of the proposed multilevel convergence framework for estimating MGRIT convergence a priori and for the design of a convergent algorithm. We further highlight that observations in the literature are captured by the theory, including that two-level Parareal and multilevel MGRIT with F-relaxation do not yield scalable algorithms and the benefit of a stronger relaxation scheme. An important observation is that with increasing numbers of levels MGRIT convergence deteriorates for the hyperbolic model problem, while constant convergence factors can be achieved for the diffusion equation. The theory also indicates that L-stable Runge--Kutta schemes are more amendable to multilevel parallel-in-time integration with MGRIT than A-stable Runge--Kutta schemes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

An approach to nearest neighbor analysis of pigment-protein complexes using chemical cross-linking in combination with mass spectrometry

Herein, protein cross-linking is the process of chemically joining two amino acids in a protein or protein complex by a covalent bond. When combined with mass spectrometry, it becomes one of the structural mass spectrometry techniques gaining in importance for deriving valuable three-dimensional structural information on proteins and protein complexes. This platform complements existing structural methods, such as NMR spectroscopy, X-ray crystallography, and cryo-EM. Photosynthetic pigment protein complexes serve as light-energy harvesting systems and perform photochemical conversion as part of the “early events” of photosynthesis. This chapter outlines how to prepare cross-linking pigment protein complex samples for LC-MS/MS analysis, including identification of the cross-linked species, network analysis in a protein complex, and structural modeling and justification.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Airborne Measurements of Scale‐Dependent Latent Heat Flux Impacted by Water Vapor and Vertical Velocity Over Heterogeneous Land Surfaces During the CHEESEHEAD19 Campaign

Abstract The water vapor transport associated with latent heat flux (LE) in the planetary boundary layer (PBL) is critical for the atmospheric hydrological cycle, radiation balance, and cloud formation. The spatiotemporal variability of LE and water vapor mixing ratio ( r v ) are poorly understood due to the scale‐dependent and nonlinear atmospheric transport responses to land surface heterogeneity. Here, airborne in situ measurements with the wavelet technique are utilized to investigate scale‐dependent relationships among LE, vertical velocity ( w ) variance (), and r v variance () over a heterogeneous surface during the Chequamegon Heterogeneous Ecosystem Energy‐balance Study Enabled by a High‐density Extensive Array of Detectors 2019 (CHEESEHEAD19) field campaign. Our findings reveal distinct scale distributions of LE, , and at 100 m height, with a majority scale range of 120 m–4 km in LE, 32 m–2 km in , and 200 m–8 km in . The scales are classified into three scale ranges, the turbulent scale (8–200 m), large‐eddy scale (200 m–2 km), and mesoscale (2–8 km) to evaluate scale‐resolved LE contributed by and . The large‐eddy scale in PBL contributes over 70% of the monthly mean total LE with equal parts (50%) of contributions from and . The monthly temporal variations mainly come from the first two major contributing classified scales in LE, , and . These results confirm the dominant role of the large‐eddy scale in the PBL in the vertical moisture transport from the surface to the PBL, while the mesoscale is shown to contribute an additional ∼20%. This analysis complements published scale‐dependent LE variations, which lack detailed scale‐dependent vertical velocity and moisture information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Simulations of the Large Surface Explosion Coupling Experiment (LSECE)

The Large Surface Explosion Coupling Experiment (LSECE) project will include two surface energetic events (chemical explosions) conducted as close as possible to ground zero (GZ) of the Source Physics Experiment (SPE) Phase II Dry Alluvium (DAG) site in Yucca Flat at the Nevada National Security Site (NNSS). Seismic and acoustic data from these events will complement DAG buried source data and improve interpretation of speed-of-sound signals from explosions for national security programs. A satellite image of the region near GZ along with some of the recording stations that we will use for the far- eld simulation is shown in Figure 1. The working design of the HE package is shown in the Figure 2 and is roughly a cube of C-4 bricks.

58 GEOSCIENCES↗
NASA NTRS1984

Introduction to Long-Duration Exposure Facility

A description of the structure and uses of the Long Duration Exposure Facility (LDEF) is given. The LDEF was designed to provide a large number of economical opportunities for science and technology experiments that require modest electrical power and data processing while in space and which benefit from postflight laboratory investigations with the retrieved experiment hardware. Like the Shuttle, the LDEF is reusable, and repeat missions are planned, each with a new complement of experiments. The LDEF is essentially a free-flying cylindrical structure. The experiments on LDEF are totally self-contained in trays mounted on the exterior of the structure. LDEF can accommodate 86 experiment trays, 72 around the circumference and 14 on the two ends. The LDEF is delivered to Earth orbit by the Shuttle. In orbit, the Shuttle remote manipulator system removes the LDEF from the Shuttle payload bay and places it in a gravity-gradient-stabilized attitude. After an extended period in orbit, which is set by experiment requirements, the LDEF is retrieved on a subsequent Shuttle flight.

Kinard, W. H.↗
DOE OSTI2026

Cost-Benefit Assessment of Additive Manufacturing for Injection Molds

This report presents an additive-manufacturing (AM) technology, where AM Cyclic Olefin Resin (COR) molds would be used for injection molding. The National Laboratory of the Rockies (NLR) team has focused on the costs and economics of this developing technology. This report presents a cost-benefit analysis of using the polySpectra AM COR molds made of COR, at the start of the project (Present') and the potential lifetime, cost-effectiveness, and performance by the end of the project period (Period 3'). The analysis of the AM COR molds is compared to traditional Computer Numerical Control (CNC) machined aluminum molds across the time periods. A cost-benefit model framework has been developed to evaluate AM COR molds. This model accounts for mold delivery to customers, current and future levels of technology readiness, the type of material injected, and various business cases. AM COR molds offer a major advantage in lead time, reducing production setup from weeks or months (with CNC machining) to as little as two to five days. This enables faster prototyping, quicker design cycles, and accelerated time-to-market, critical in industries like electronics, aerospace, medical devices, and automotive. Even modest improvements in the durability of polySpectra AM COR molds show the potential for these molds to complement traditional tooling. With further development, AM COR mold technology could provide significant time and cost savings while supporting increased domestic manufacturing capacity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Functional analysis of the methylerythritol phosphate pathway terminal enzymes IspG and IspH from Zymomonas mobilis

ABSTRACT Isoprenoids are a diverse family of compounds that are synthesized from two isomeric compounds, isopentenyl diphosphate and dimethylallyl diphosphate. In most bacteria, isoprenoids are produced from the essential methylerythritol phosphate (MEP) pathway. The terminal enzymes of the MEP pathway IspG and IspH are [4Fe-4S] cluster proteins, and in Zymomonas mobilis, the substrates of IspG and IspH accumulate in cells in response to O 2 , suggesting possible lability of their [4Fe-4S] clusters. Here, we show using complementation assays in Escherichia coli that even under anaerobic conditions, Z. mobilis IspG and IspH are not as functional as their E. coli counterparts, requiring higher levels of expression to rescue viability. A deficit of the sulfur utilization factor (SUF) Fe-S cluster biogenesis pathway did not explain the reduced function of Z. mobilis IspG and IspH since no improvement in viability was observed in E. coli expressing the Z. mobilis SUF pathway or having increased expression of the E. coli SUF pathway. Complementation of single and double mutants with various combinations of Z. mobilis and E. coli IspG and IspH indicated that optimal growth required the pairing of IspG and IspH from the same species. Furthermore, Z. mobilis IspH conferred an O 2 -sensitive growth defect to E. coli that could be partially rescued by co-expression of Z. mobilis IspG. In vitro analysis showed O 2 sensitivity of the [4Fe-4S] cluster of both Z. mobilis IspG and IspH. Altogether, our data indicate an important role of the cognate protein IspG in Z. mobilis IspH function under both aerobic and anaerobic conditions. IMPORTANCE Isoprenoids are one of the largest classes of natural products, exhibiting diversity in structure and function. They also include compounds that are essential for cellular life across the biological world. In bacteria, isoprenoids are derived from two precursors, isopentenyl diphosphate and dimethylallyl diphosphate, synthesized primarily by the methylerythritol phosphate pathway. The aerotolerant Z. mobilis has the potential for methylerythritol phosphate pathway engineering by diverting some of the glucose that is typically efficiently converted into ethanol to produce isoprenoid precursors to make bioproducts and biofuels. Our data revealed the surprising finding that Z. mobilis IspG and IspH need to be co-optimized to improve flux via the methyl erythritol phosphate pathway in part to evade the oxygen sensitivity of IspH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

HOSS: an implementation of the combined finite-discrete element method

Nearly thirty years since its inception, the combined finite-discrete element method (FDEM) has made remarkable strides in becoming a mainstream analysis tool within the field of Computational Mechanics. FDEM was developed to effectively “bridge the gap” between two disparate Computational Mechanics approaches known as the finite and discrete element meth-ods. At Los Alamos National Laboratory (LANL) researchers developed the Hybrid Optimization Software Suite (HOSS) as a hybrid multi-physics platform, based on FDEM, for the simulation of solid material behavior complemented with the latest technological enhancements for full fluid–solid interaction. Furthermore, in HOSS, several newly developed FDEM algorithms have been implemented that yield more accurate material deformation formulations, inter-particle interaction solvers, and fracture and fragmentation solutions. Additionally, an explicit computational fluid dynamics solver and a novel fluid–solid interaction algorithms have been fully integrated (as opposed to coupled) into the HOSS’ solid mechanical solver, allowing for the study of an even wider range of problems. Advancements such as this are leading HOSS to become a tool of choice for multi-physics problems. Finally, HOSS has been successfully applied by a myriad of researchers for analysis in rock mechanics, oil and gas industries, engineering application (structural, mechanical and biomedical engineering), mining, blast loading, high velocity impact, as well as seismic and acoustic analysis. This paper intends to summarize the latest development and application efforts for HOSS.

58 GEOSCIENCES↗
NASA NTRS1997

Detection of Obstacles in Monocular Image Sequences

The ability to detect and locate runways/taxiways and obstacles in images captured using on-board sensors is an essential first step in the automation of low-altitude flight, landing, takeoff, and taxiing phase of aircraft navigation. Automation of these functions under different weather and lighting situations, can be facilitated by using sensors of different modalities. An aircraft-based Synthetic Vision System (SVS), with sensors of different modalities mounted on-board, complements the current ground-based systems in functions such as detection and prevention of potential runway collisions, airport surface navigation, and landing and takeoff in all weather conditions. In this report, we address the problem of detection of objects in monocular image sequences obtained from two types of sensors, a Passive Millimeter Wave (PMMW) sensor and a video camera mounted on-board a landing aircraft. Since the sensors differ in their spatial resolution, and the quality of the images obtained using these sensors is not the same, different approaches are used for detecting obstacles depending on the sensor type. These approaches are described separately in two parts of this report. The goal of the first part of the report is to develop a method for detecting runways/taxiways and objects on the runway in a sequence of images obtained from a moving PMMW sensor. Since the sensor resolution is low and the image quality is very poor, we propose a model-based approach for detecting runways/taxiways. We use the approximate runway model and the position information of the camera provided by the Global Positioning System (GPS) to define regions of interest in the image plane to search for the image features corresponding to the runway markers. Once the runway region is identified, we use histogram-based thresholding to detect obstacles on the runway and regions outside the runway. This algorithm is tested using image sequences simulated from a single real PMMW image.

Kasturi, Rangachar↗
NASA NTRS1998

Science Planning for the TROPIX Mission

The objective of the study grant was to undertake the planning needed to execute meaningful solar electric propulsion missions in the magnetosphere and beyond. The first mission examined was the Transfer Orbit Plasma Investigation Experiment (TROPIX) mission to spiral outward through the magnetosphere. The next mission examined was to the moon and an asteroid. Entitled Diana, it was proposed to NASA in October 1994. Two similar missions were conceived in 1996 entitled CNR for Comet Nucleus Rendezvous and MBAR for Main Belt Asteroid Rendezvous. The latter mission was again proposed in 1998. All four of these missions were unsuccessfully proposed to the NASA Discovery program. Nevertheless we were partially successful in that the Deep Space 1 (DS1) mission was eventually carried out nearly duplicating our CNR mission. Returning to the magnetosphere we studied and proposed to the Medium Class Explorer (MIDEX) program a MidEx mission called TEMPEST, in 1995. This mission included two solar electric spacecraft that spiraled outward in the magnetosphere: one at near 900 inclination and one in the equatorial plane. This mission was not selected for flight. Next we proposed a single SEP vehicle to carry Energetic Neutral Atom (ENA) imagers and inside observations to complement the IMAGE mission providing needed data to properly interpret the IMAGE data. This mission called SESAME was submitted unsuccessfully in 1997. One proposal was successful. A study grant was awarded to examine a four spacecraft solar electric mission, named Global Magnetospheric Dynamics. This study was completed and a report on this mission is attached but events overtook this design and a separate study team was selected to design a classical chemical mission as a Solar Terrestrial Probe. Competing proposals such as through the MIDEX opportunity were expressly forbidden. A bibliography is attached.

Russell, C. T.↗
NASA NTRS2009

Design Evolution and Verification of the A-3 Chemical Steam Generator

Following is an overview of the Chemical Steam Generator system selected to provide vacuum conditions for a new altitude test facility, the A-3 Test Stand at Stennis Space Center (SSC) in Bay St. Louis, MS. A-3 will serve as NASA s primary facility for altitude testing of the J-2X rocket engine, to be used as the primary propulsion device for the upper stages of the Ares launch vehicles. The Chemical Steam Generators (CSGs) will produce vacuum conditions in the test cell through the production and subsequent supersonic ejection of steam into a diffuser downstream of the J-2X engine nozzle exit. The Chemical Steam Generators chosen have a rich heritage of operation at rocket engine altitude test facilities since the days of the Apollo program and are still in use at NASA White Sands Test Facility (WSTF) in New Mexico. The generators at WSTF have been modified to a degree, but are still very close to the heritage design. The intent for the A-3 implementation is to maintain this heritage design as much as possible, making minimal updates only where necessary to substitute for obsolete parts and to increase reliability. Reliability improvements are especially desired because the proposed system will require 27 generators, which is nine times the largest system installed in the 1960s. Improvements were suggested by the original design firm, Reaction Motors, by NASA SSC and NASA WSTF engineers, and by the A-3 test stand design contractor, Jacobs Technology, Inc. (JTI). This paper describes the range of improvements made to the design to date, starting with the heritage generator and the minor modifications made over time at WSTF, to the modernized configuration which will be used at A-3. The paper will discuss NASA s investment in modifications to SSC s E-2 test facility fire a full-scale Chemical Steam Generator in advance of the larger steam system installation at A-3. Risk mitigation testing will be performed in early 2009 at this test facility to verify that the CSGs operate as expected. The generator which will undergo this testing is of the most recent A-3 configuration, and will be instrumented far in excess of what is normally required for operation. The extra data will allow for easier troubleshooting and more complete knowledge of expected generator performance. In addition, the early testing will give SSC personnel experience in operating the CSG systems, which will expedite the process of installation and activation at A-3. Each Chemical Steam Generator is supported by a complement of valves, instruments, and flow control devices, with the entire assembly called a "module." The generators will be installed in groups of three, historically called "units". A module is so called because of its modular ability to be replaced or serviced without disturbing the other two modules installed on the same unit. A module is pictured in Figure 1, shown with its generator secured by white bands in its shipping (vs. installed) configuration. The heritage system at WSTF is composed of a single unit (three generator modules), pictured in Figure 2 as it was installed in 1965. In contrast, A-3 will have nine units operating in parallel to achieve vacuum conditions appropriate for testing the J-2X engine. Each of the combustors operates in two modes and achieves the so-called "full-steam" mode after all three of its stages ignite. Ignition of the first stage is achieved by exciting a spark plug; the second stage and main stage are lit by the flame front of the previous stage. The main stage burns approximately 97% of the total propellant flow and uses the heat energy to vaporize water into superheated steam. While the main stage remains unlit, the combustor is in so-called "idle" mode. In the WSTF system, this idle mode is not optimized for water usage, and does not need to be, as the water is pumped from a large reservoir. The water supply at A-3 will be contained in tanks with finite volume, so water optimization is preferred for the modnized configuration. Multiple solutions for this issue have been proposed, with the leading concept being a change to the operational definition of "idle mode," with the generator running in a lower heat flux condition.

Kirchner, Casey K.↗
NASA NTRS2018

Nozzle Plume/Shock Interaction Experimental and Computational Sonic Boom Analyses from the NASA Ames 9- by 7-Foot Supersonic Wind Tunnel

A wind tunnel test and a computational study were conducted to investigate the complex interactions between a supersonic nozzle plume and shock waves of differing strengths generated from various aft surfaces typical of supersonic aircraft. These analytically-defined aft surfaces were representative of horizontal tails of various sizes, and an aft deck. CFD simulations of many proposed model configurations allowed for assessments of the detailed flow interactions of components in close proximity to the nozzle, as well as assessments of the nozzle jet flow itself. The evaluation of the computational results for many candidate configurations guided the design of model components. The interactions of the waveforms from these surfaces with the jet exhaust plume can have significant adverse effects on the loudness of the sonic boom if the surfaces are not carefully integrated into an aircraft design. The greatest discrepancy in estimating sonic boom loudness for low-boom flight vehicles is currently in predicting the signatures from the aft part of an aircraft, including the interactions with the plume flow. The objectives of this test were to gain a better understanding of these interactions, and to provide a detailed experimental database from multiple sources for use as validation cases for CFD tool development. The subject test was run in the NASA Ames 9- by 7-Ft Supersonic Wind Tunnel in February 2016 at Mach numbers of 1.6 and 2.0, and was funded by the NASA Commercial Supersonics Technology (CST) Project. The nozzle flow was provided by high-pressure air (HPA) pumped through the model, and pressure signature data were acquired with the NASA 14-inch sonic boom pressure rail. The rail measured the locations of the shocks and expansions at various distances and off-track angles from the model. This enabled the impact of the nozzle plume/shock interactions on the near- and mid-field sonic boom pressure waveforms to be quantified. Schlieren images of the flow field around and behind the model were obtained with an RBOS (Retroreflective Background-Oriented Schlieren) technique to determine the origins of the shock and expansion waves, to identify the shape and boundaries of the plume, and to determine the changes in incoming and exiting waveforms within the plume. A total pressure rake was positioned closely behind the model nozzle in order to measure the total pressure profiles of the flow above, within, and below the nozzle exhaust. Model angles and positions in the tunnel were measured by photogrammetry using two cameras since the lack of a model force balance prevented the measurement of model deflections under load.Navier-Stokes computations using two different CFD codes were compared to the experimental sonic boom pressure signature data, and the rake total pressure data in the plume. A computational schlieren technique was used to compare the computed flow field with the RBOS images. The computational results were also used to complement the test data with flow field quantities that could not be measured, such as Mach number and pressure distributions to distinguish shock waves and expansion waves.

sonic boom↗
NASA NTRS2021

NASA-ISRO SAR (NISAR) Mission Status

The National Aeronautics and Space Administration (NASA) in the United States and the Indian Space Research Organisation (ISRO) are developing the NASA-ISRO Synthetic Aperture Radar (NISAR) mission, now planned for launch toward the end of 2022. The mission will exploit synthetic aperture radar to map Earth’s surface every 12 days, persistently on ascending and descending portions of the orbit, over all land and ice-covered surfaces. The mission’s primary objectives will be to study Earth land and ice deformation, and ecosystems, in areas of common interest to the US and Indian science communities. This single observatory solution with an L-band (24 cm wavelength) and S-band (10 cm wavelength) radar has a swath of over 240 km at fine resolution, using full polarimetry where needed. To achieve these unprecedented capabilities, both radars use a reflector-feed system, whereby the feed aperture elements are individually sampled to allow a scan-on-receive (“SweepSAR”) capability at both L-band and S-band. The L-band and S-band electronics and feed apertures, provided by NASA and ISRO respectively, share a common 12-m diameter deployable reflector/boom system, provided by NASA. These two radars, which can operate simultaneously, even with FPGA-based on-board digital beamforming and filtering to reduce data rates, produce prodigious amounts of data. Given the high data rates and ambitious coverage requirements, new technologies for high-rate Ka-band downlink complement these first-of-a-kind radar systems.

Kumar, Raj↗
NASA NTRS2023

Integrating NASA Aqua AIRS in a Real-Time NUCAPS Science-to-Applications System to Support Severe Weather Forecasting

In recent years, National Oceanic and Atmospheric Administration (NOAA) Unique Combined Atmospheric Processing System (NUCAPS) hyperspectral infrared satellite sounding retrievals derived from Joint Polar Satellite System (JPSS) polar-orbiting satellites have been documented as observations that add value to weather forecasting applications. NUCAPS is currently the operational algorithm delivering JPSS satellite sounding retrievals to the NOAA National Weather Service (NWS) and is based on the heritage Atmospheric Infrared Sounder (AIRS) Science Team algorithm for processing vertical temperature, moisture, and trace gas retrievals. For the Special Collection on “Twenty Years of Observations from AIRS,” we highlight the methodology we implemented to develop a prototype science-to-applications system to enable real-time processing of AIRS satellite sounding retrievals through the NUCAPS algorithm (i.e., NUCAPS-Aqua) to support weather forecasting applications. The addition of NUCAPS-Aqua to experimental real-time pathways alongside operational JPSS NUCAPS soundings, facilitated assessment of NUCAPS-Aqua at the 2022 Hazardous Weather Testbed (HWT) Spring Experiment. Development of NUCAPS-Aqua described in this technical report includes preservation of microwave observations and calculation of a-priori regression coefficients. Additionally, the real-time processing and challenges with implementing a science-to-applications system are discussed. Two illustrative pre-convective forecasting examples analyzed by NWS forecasters during the 2022 HWT Spring Experiment are highlighted to demonstrate the benefit of NUCAPS-Aqua as (a) special afternoon soundings, (b) an additional observation to assess temporal trends using multiple satellites, and (c) a complement to observational and model analysis.

remote sensing↗
DOE OSTI2022

The MU2E Experiment at FERMILAB: R&D, Design and Status

The Mu2e Experiment at Fermilab 1) will search for coherent, neutrinoless conversion of negative muons into electrons in the field of an aluminum nucleus, µ - + N (A, Z) → e - + N (A, Z). This is an example of Charged Lepton Flavour Violation (CLFV) never observed experimentally. The dynamics of such a process is well modelled by a two-body decay, resulting in a mono-energetic electron with an energy slightly below the muon rest mass (~104.967 MeV). If no events are observed in three years of running, Mu2e will set an upper limit on the ratio between conversion and capture rate R µe ≤ 6 × 10 -17 (@ 90% C.L.). This will improve the current limit of a factor of 10 4 over previous experiments. The experiment complements and extends the current/planned searches (µ → eγdecay at MEG , mu3e) as well as the direct searches for new physics at the LHC. Indeed, such CLFV searches in the muon sector probe new physics at a mass scale inaccessible with direct searches at either present or planned high-energy colliders. To detect the muon conversion process, a very intense pulsed beam of negative muons is produced by means of a S-shape Superconducting Solenoid Magnet System that is organized into three subsystems: the Production Solenoid, the Transport Solenoid and the Detector Solenoid. The beam is stopped at 10 GHz on an Aluminum target inside the Detector Solenoid. The Mu2e detectors, also installed inside the Detector Solenoid, are a high-precision tracker made on ~20000 straw tubes, and a calorimeter composed of ~1500 pure CsI crystals organized in two disks and readout by two large area UV-extended Silicon Photomultipliers (SiPMs). The Detector Solenoid region is surrounded by a Cosmic Ray Veto based on scintillators readout by SiPMs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Structure and dynamics of ethane confined in silica nanopores in the presence of CO 2

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (C 2 H 6 ) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of C 2 H 6 and CO 2 at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure C 2 H 6 , C 2 H 6 :CO 2 = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K. Two Lorentzian functions were required to fit the spectra, corresponding to fast and slow translational motions. No localized motions (rotations and vibrations) were detected. Higher pressures resulted in hindrances of the diffusivity of C 2 H 6 molecules in all systems investigated. Pore size was found to be an important factor, i.e., the dynamics of confined C 2 H 6 is more restricted in smaller pores compared to the larger pores used in previous studies. Molecular dynamics simulations were performed to complement the QENS experiment at 65 bars, providing supportive structure information and comparable dynamic information. The simulations indicate that CO 2 molecules are more strongly attracted to the pore surface compared to C 2 H 6 . The C 2 H 6 molecules interacting with or near the pore surface form a dense first layer (L1) close to the pore surface and a second less dense layer (L2) extending into the pore center. Both the experiments and simulations revealed the role that CO 2 molecules play in enhancing C 2 H 6 diffusion (“molecular lubrication”) at high CO 2 :C 2 H 6 ratios. The energy scales of the two dynamic components, fast and slow, quantified by both techniques, are in very good agreement. Herein, the simulations identified the fast component as the main contributor to the dynamics. Molecule motions in the L2 region are mostly responsible for the dynamics (fast and slow) that can be detected by the instrument.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Advancing river corridor science beyond disciplinary boundaries with an inductive approach to catalyse hypothesis generation

Abstract A unified conceptual framework for river corridors requires synthesis of diverse site‐, method‐ and discipline‐specific findings. The river research community has developed a substantial body of observations and process‐specific interpretations, but we are still lacking a comprehensive model to distill this knowledge into fundamental transferable concepts. We confront the challenge of how a discipline classically organized around the deductive model of systematically collecting of site‐, scale‐, and mechanism‐specific observations begins the process of synthesis. Machine learning is particularly well‐suited to inductive generation of hypotheses. In this study, we prototype an inductive approach to holistic synthesis of river corridor observations, using support vector machine regression to identify potential couplings or feedbacks that would not necessarily arise from classical approaches. This approach generated 672 relationships linking a suite of 157 variables each measured at 62 locations in a fifth order river network. Eighty four percent of these relationships have not been previously investigated, and representing potential (hypothetical) process connections. We document relationships consistent with current understanding including hydrologic exchange processes, microbial ecology, and the River Continuum Concept, supporting that the approach can identify meaningful relationships in the data. Moreover, we highlight examples of two novel research questions that stem from interpretation of inductively‐generated relationships. This study demonstrates the implementation of machine learning to sieve complex data sets and identify a small set of candidate relationships that warrant further study, including data types not commonly measured together. This structured approach complements traditional modes of inquiry, which are often limited by disciplinary perspectives and favour the careful pursuit of parsimony. Finally, we emphasize that this approach should be viewed as a complement to, rather than in place of, more traditional, deductive approaches to scientific discovery.

54 ENVIRONMENTAL SCIENCES↗