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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

A process for prototyping onboard payload displays for Space Station Freedom

Significant advances have been made in the area of Human-Computer Interface design. However, there is no well-defined process for going from user interface requirements to user interface design. Developing and designing a clear and consistent user interface for medium to large scale systems is a very challenging and complex task. The task becomes increasingly difficult when there is very little guidance and procedures on how the development process should flow from one stage to the next. Without a specific sequence of development steps each design becomes difficult to repeat, to evaluate, to improve, and to articulate to others. This research contributes a process which identifies the phases of development and products produced as a result of each phase for a rapid prototyping process to be used to develop requirements for the onboard payload displays for Space Station Freedom. The functional components of a dynamic prototyping environment in which this process can be carried out is also discussed. Some of the central questions which are answered here include: How does one go from specifications to an actual prototype? How is a prototype evaluated? How is usability defined and thus measured? How do we use the information from evaluation in redesign of an interface? and Are there techniques which allow for convergence on a design?

Moore, Loretta A.↗
DOE OSTI2025

Auriga Streams – I: disrupting satellites surrounding Milky Way-mass haloes at multiple resolutions

In a hierarchically formed Universe, galaxies accrete smaller systems that tidally disrupt as they evolve in the host’s potential. We present a complete catalogue of disrupting galaxies accreted onto Milky Way-mass haloes from the Auriga suite of cosmological magnetohydrodynamic zoom-in simulations. We classify accretion events as intact satellites, stellar streams, or phase-mixed systems based on automated criteria calibrated to a visually classified sample, and match accretions to their counterparts in haloes re-simulated at higher resolution. Most satellites at the present day have lost substantial amounts of stellar mass – 67 per cent have $f_\text{bound} < 0.97$ (our threshold of lost stellar mass to no longer be considered intact), while 53 per cent satisfy a more stringent $f_\text{bound} < 0.8$. Streams typically outnumber intact systems, contribute a smaller fraction of overall accreted stars, and are substantial contributors at intermediate distances from the host centre ($\sim$0.1 to $\sim 0.7R_\text{200m}$, or $\sim$35 to $\sim$250 kpc for the Milky Way). We also identify accretion events that disrupt to form streams around massive intact satellites instead of the main host. Streams are more likely than intact or phase-mixed systems to have experienced pre-processing, suggesting this mechanism is important for setting disruption rates around Milky Way-mass haloes. All of these results are preserved across different simulation resolutions, though we do find some hints that satellites disrupt more readily at lower resolution. The Auriga haloes suggest that disrupting satellites surrounding Milky Way-mass galaxies are the norm and that a wealth of tidal features waits to be uncovered in upcoming surveys.

galaxies: haloes↗
DOE OSTI2020

Sensitive Top-Down Proteomics Analysis of a Low Number of Mammalian Cells Using a Nanodroplet Sample Processing Platform

Top-down proteomics is a powerful tool for characterizing genetic variations and post-translational modifications at intact protein level. That being said, one significant technical gap of top-down proteomics is the inability to analyze low amount of biological samples, which limits its access to isolated rare cells, fine-needle aspiration biopsies, and tissue substructures. Herein, we developed an ultrasensitive top-down platform by incorporating a microfluidic sample preparation system, termed nanoPOTS (Nanodroplet Processing in One pot for Trace Samples), into a top-down proteomics workflow. A unique combination of a nonionic detergent dodecyl-ß-D-maltopyranoside (DDM) with urea as protein extraction buffer significantly improved both protein extraction efficiency and sample recovery. We hypothesize that the DDM detergent improves protein recovery by efficiently reducing non-specific adsorption of intact proteins on container surfaces, while urea serves as a strong denaturant to disrupt noncovalent complexes and release intact proteins for downstream analysis. The nanoPOTS-based top-down platform reproducibly and quantitatively identified ~170 to ~620 proteoforms from ~70 to ~770 HeLa cells containing ~10 to ~115 ng of total protein. A variety of post-translational modifications including acetylation, myristoylation, and iron binding were identified using only less than 800 cells. We anticipate the nanoPOTS top-down proteomics platform will be broadly applicable in biomedical researches, particularly where clinical specimens are not available in amounts amenable to standard workflows.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Reducing Communication Overhead in Federated Learning for Network Anomaly Detection with Adaptive Client Selection

Communication overhead in federated learning (FL) poses a significant challenge for network anomaly detection systems, where the myriad of client configurations and network conditions can severely impact system efficiency and detection accuracy. While existing approaches attempt to address this through individual optimization techniques, they often fail to maintain the delicate balance between reduced overhead and detection performance. This paper presents an adaptive FL framework that dynamically combines batch size optimization, client selection, and asynchronous updates to achieve efficient anomaly detection. Through extensive profiling and experimental analysis on two distinct datasets-UNSW-NBIS for general network traffic and ROAD for automotive networks-our framework reduces communication overhead by 97.6%; (from 700.0s to 16.8s) compared to synchronous baseline approaches while maintaining comparable detection accuracy (95.10%; vs. 95.12%;). Statistical validation using Mann-Whitney U test confirms significant improvements (p < 0.05) over existing FL approaches across both datasets, demonstrating the framework's adaptability to different network security contexts. Detailed profiling analysis reveals the efficiency gains through dramatic reductions in GPU operations and memory transfers while maintaining robust detection performance under varying client conditions.

Marfo, William [University of Texas at El Paso]↗
NASA NTRS2003

Mechanical Amplifier for a Piezoelectric Transducer

A mechanical amplifier has been devised to multiply the stroke of a piezoelectric transducer (PZT) intended for use at liquid helium temperatures. Interferometry holds the key to high angular resolution imaging and astrometry in space. Future space missions that will detect planets around other solar systems and perform detailed studies of the evolution of stars and galaxies will use new interferometers that observe at mid- and far-infrared wavelengths. Phase-measurement interferometry is key to many aspects of astronomical interferometry, and PZTs are ideal modulators for most methods of phase measurement, but primarily at visible wavelengths. At far infrared wavelengths of 150 to 300 m, background noise is a severe problem and all optics must be cooled to about 4 K. Under these conditions, piezos are ill-suited as modulators, because their throw is reduced by as much as a factor of 2, and even a wavelength or two of modulation is beyond their capability. The largest commercially available piezo stacks are about 5 in. (12.7 cm) long and have a throw of about 180 m at room temperature and only 90 m at 4 K. It would seem difficult or impossible to use PZTs for phase measurements in the far infrared were it not for the new mechanical amplifier that was designed and built.

Moore, James↗
DOE OSTI2026

The detection of marine microseismic activity with the CUORE tonne-scale cryogenic experiment

Vibrations from experimental setups and the environment are a persistent source of noise for low-temperature calorimeters searching for rare events, including neutrinoless double beta ( 0νββ ) decay or dark matter interactions. Such noise can significantly limit experimental sensitivity to the physics case under investigation. Here, we report the detection of marine microseismic vibrations using mK-scale calorimeters. This study employs a multi-device analysis correlating data from CUORE, the leading experiment in the search for 0νββ decay with mK-scale calorimeters, and the Copernicus Earth Observation program, revealing the seasonal impact of Mediterranean Sea activity on CUORE’s energy thresholds, resolution, and sensitivity over four years. The detection of marine microseisms underscores the need to address faint environmental noise in ultra-sensitive experiments. Understanding how such noise couples to the detector and developing mitigation strategies is essential for next-generation experiments. We demonstrate one such strategy: a noise decorrelation algorithm implemented in CUORE using auxiliary sensors, which reduces vibrational noise and improves detector performance. Enhancing sensitivity to 0νββ decay and to rare events with low-energy signatures requires identifying unresolved noise sources, advancing noise reduction methods, and improving vibration suppression systems, all of which inform the design of next-generation rare event experiments.

experimental nuclear physics↗
DOE OSTI2025

Equilibrium-gated pattern formation: How molecular dissociation thermodynamics drive emergent behavior in dissipative polymeric systems

Emergent patterns in biological systems arise through dissipative processes that balance reaction and transport phenomena, producing highly functional properties from self-regulating mechanisms. Synthetic fabrication, by contrast, often relies on user-controlled, multistep methods that lack the self-organizing capabilities of natural systems. Inspired by nature, we sought chemical systems that integrate strongly coupled reaction and transport phenomena, identifying frontal ring-opening metathesis polymerization (FROMP) as a method capable of creating diverse forms and functions through reactive processing. By employing discrete molecular initiators, FROMP allows precise control of key reaction steps—inhibition, initiation, and propagation. Using an integrated computational and experimental framework, we uncover how near-equilibrium inhibition dynamics, coupled with far-from-equilibrium reaction kinetics, drive pattern formation in frontally polymerized synthetic materials. We propose the concept of equilibrium-gated pattern formation, demonstrating how initiator chemistry can be tuned to achieve programmable macroscale properties. Our study reveals a surprising insight: Emergent behavior in FROMP systems arises from the inhibition-dominated regime of resin composition, expanding prior observations that such behavior is confined to a narrow compositional space near the boundary between front quenching and uniform front propagation. We identify a broader compositional window, far from the quenching regime, where emergent behavior reliably manifests. This expanded design space significantly enhances the operational flexibility of reactive systems and their capacity for self-organization. Furthermore, these insights provide a roadmap for designing bioinspired materials with self-organizing capabilities, unlocking possibilities in synthetic manufacturing.

Architected Polymers↗
DOE OSTI2022

A 2–4 keV multilayer mirrored channel for the NIF Dante system

During inertial confinement fusion experiments at the National Ignition Facility (NIF), a capsule filled with deuterium and tritium (DT) gas, surrounded by a DT ice layer and a high-density carbon ablator, is driven to the temperature and densities required to initiate fusion. In the indirect method, 2 MJ of NIF laser light heats the inside of a gold hohlraum to a radiation temperature of 300 eV; thermal x rays from the hohlraum interior couple to the capsule and create a central hotspot at tens of millions degrees Kelvin and a density of 100–200 g/cm3. During the laser interaction with the gold wall, m-band x rays are produced at ∼2.5 keV; these can penetrate into the capsule and preheat the ablator and DT fuel. Preheat can impact instability growth rates in the ablation front and at the fuel–ablator interface. Monitoring the hohlraum x-ray spectrum throughout the implosion is, therefore, critical; for this purpose, a Multilayer Mirror (MLM) with flat response in the 2–4 keV range has been installed in the NIF 37° Dante calorimeter. Precision engineering and x-ray calibration of components mean the channel will report 2–4 keV spectral power with an uncertainty of ±8.7%.

Rubery, M. S. (ORCID:0000000344152818)↗
DOE OSTI2025

Groundwater flowpath characteristics drive variability in per- and polyfluoroalkyl substances (PFAS) loading across a stream-wetland system

Groundwater dependent ecosystems in areas with industrial and military land use are at risk of direct exposure to a wide range of contaminants, including PFAS chemicals. Glaciated terrain often has mixed high and low permeability sediments coupled with groundwater flow-through lake features. These hydrogeologic attributes create highly complex ‘source to seep’ dynamics that make spatiotemporal contaminant transport patterns difficult to predict. We investigated one such system in detail using a suite of heat-tracing and chemical methods. Numerous (n=57) preferential groundwater discharge zones (vertical flux rates ranging 0.2 to 3.2 m/d) were identified across the upper Quashnet River stream-wetland system in Mashpee, MA, USA, adjacent to an Air Force Base with several known PFAS source areas. Surface-water and groundwater samples were collected and analyzed (n=145) for precursors and terminal PFAS compounds between March and September 2022. Samples were collected at identified seeps along the Quashnet River (n=59), from wells upgradient from the stream-wetland system (n= 44), from contributing flow-through kettle lakes (n=8), and at multiple locations along the Quashnet River (n=34). Samples from seeps and wells had measured PFAS concentrations ranging from non-detect to approximate 3,500 ng/L (mean= 1,650 ng/L), and a range of deuterium excess values (3.2 to 15.9 per mil) indicative of varying degrees of groundwater-lake interaction prior to emergence at the discharge zones. Groundwater-lake interaction along flowpaths that sourced the sampled seeps was farther supported by significant correlations (p < 0.01) between deuterium excess and %PFAS precursors, and between %PFAS precursors and multiple terminal PFAS compounds (e.g., PFPeS, PFBS, PFHxS). However, some sampled seeps contributing groundwater to the stream-wetland system had much higher total PFAS concentrations (>1000 ng/L) than the upgradient kettle lakes, despite showing lake (evaporative) isotopic signatures, indicating the potential for groundwater flowpath convergence at wetland discharge zones and the influence of lakebed PFAS precursor reactions. PFAS compounds and water isotopic composition at sampled multilevel groundwater wells, rivers, lakes, and seeps suggest that a complex mixture of source groundwater and flowpath characteristics are responsible for diverse observed PFAS mixtures at preferential discharge zones across the stream-wetland system. Further, total PFAS loading patterns to the Quashnet River via groundwater discharge remained remarkably similar from winter to summer to fall conditions, despite a regional dry period in late summer 2022 with the upper river channel completely drying. This work addresses gaps in the existing PFAS literature by demonstrating the importance of subsurface fate and transport on PFAS compound concentrations in controlling contaminant mass loading in preferential groundwater discharge zones and presents a transferrable field toolkit for efficient characterization of spatially preferential PFAS transport dynamics.

Contaminant transport↗
DOE OSTI2022

Computed Tomography Scanning and Geophysical Measurements of the Enhanced Geothermal Systems (EGS) Collab SURF Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from 8 wells from the Enhanced Geothermal Systems (EGS) Collab project located in the Sanford Underground Research Facility’s (SURF) 4850 level. The work in this report falls in Experiment 1 in a three-phase experiment, with the primary purpose to increase understanding of hydraulic fracturing. The primary impetus of this work is a collaboration between U.S. Department of Energy (DOE) and the EGS Collab. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/surf-collab-core. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. None of the equipment used was suitable for direct visualization of the pore space in the core, although fractures and discontinuities were detectable with the methods tested. Low resolution CT imagery with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis as well as fractured zones. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

47 OTHER INSTRUMENTATION↗
NASA NTRS2019

The North Atlantic Aerosol and Marine Ecosystem Study (NAAMES): Science Motive and Mission Overview

The North Atlantic Aerosols and Marine Ecosystems Study (NAAMES) is an interdisciplinary investigation to improve understanding of Earth's ocean ecosystem-aerosol-cloud system. Specific overarching science objectives for NAAMES are to (1) characterize plankton ecosystem properties during primary phases of the annual cycle and their dependence on environmental forcings, (2)determine how these phases interact to recreate each year the conditions for an annual plankton bloom, and (3) resolve how remote marine aerosols and boundary layer clouds are influenced by plankton ecosystems. Four NAAMES field campaigns were conducted in the western subarctic Atlantic between November 2015 and April 2018, with each campaign targeting specific seasonal events in the annual plankton cycle. A broad diversity of measurements were collected during each campaign, including ship, aircraft, autonomous float and drifter, and satellite observations. Here, we present an overview of NAAMES science motives, experimental design, and measurements. We then briefly describe conditions and accomplishments during each of the four field campaigns and provide information on how to access NAAMES data. The intent of this manuscript is to familiarize the broad scientific community with NAAMES and to provide a common reference overview of the project for upcoming publications.

Behrenfeld, Michael J.↗
DOE OSTI2022

Modernization efforts for the R -Matrix code SAMMY [Abstract]

The R-Matrix code SAMMY is a widely used nuclear data evaluation code focused on the resolved range, which includes corrections for experimental effects. The code is still mostly written in Fortran 77, and uses a memory management system suitable for the time of its initial writing (1984). A modernization effort is under way to bring the code in-line with modern software development practices. A continuous-integration testing framework was added, automating the large existing set of test cases. It is run on every commit. The memory management was updated to current standard practices suitable for modern software analysis tools. The code can be obtained from https://code.ornl.gov/RNSD/SAMMY. The resonance parameters and covariance information are now stored in C++ objects shared by SAMMY and AMPX, the processing code that generates nuclear data libraries for SCALE. This allows for easier maintenance and access to the resonance parameters inside and outside of SAMMY. This feature is already used by accessing and changing parameters in memory in the Bayesian Monte Carlo Evaluation Framework for Cross Sections Nuclear Data and Integral Benchmark Experiments project, Further plans include the switch to the ENDF reading and writing routines in AMPX, as these routines are more robust, easier to maintain, and support more features. Of note here is support for the new GNDS format. Previously it wasn’t easy to share the full covariance matrix for evaluations containing more than one isotope due to limitations on the ENDF format; this is now supported in GNDS. The data are currently available in a binary SAMMY format and can be exported to GNDS to make them more widely available and sharable. The next step will be to use the same resonance processing code at 0K in AMPX and SAMMY as one of the available Reich-Moore R-Matrix formalism. The first step toward this goal is to isolate the reconstruction into a module that takes resonance parameters as its input and does not depend on SAMMY global parameters. This goal has been achieved and it should now be possible to more easily change the resonance formalism and add enhancements as the Phenomenological R-Matrix parameterization of direct, doorway, and compound nuclear reactions discussed elsewhere on this conference. This concerted modernization and enhancement effort provides multiple advantages to the nuclear data community. It will allow parameter optimization using enhanced formalisms, including experimental effects, that better match complex experimental data. Then those evaluated parameters can immediately be passed off to AMPX to be reconstructed with the exact same cross section model and be put into a data library for subsequent testing using SCALE and the Valid Benchmark suite or other suitable benchmark suites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Suspending democratic (dis)belief: Nonliberal energy polities of solar power in Morocco and Tanzania

This paper proposes the concept of technodemocratic imaginaries (TDIMs) to supplement the widely-used framework of sociotechnical imaginaries (STIMs) for analyzing nonliberal political contexts in energy social science research. Taking the power of coproductionist analysis of STIMs seriously, TDIMs highlight the inherent instabilities within overarching STIMs by arguing that not only are particular groups marginalized and excluded but that they continue to practice and mobilize their own imaginaries of collective governance and justice vis-à-vis energy systems. In contrast, the existing idea of contested STIMs, in which a shared mode of knowledge politics undergirds different imaginaries, casts aside subaltern modes of political engagement and knowledge-making. TDIMs expand conceptions of democracy to include shared practices of credibility in nonliberal political orders. The intent is not to promote democratic relativism but rather to ask scholars and international energy-access practitioners to suspend their democratic disbelief when studying energy matters in so-called nonliberal contexts. We develop the concept of TDIMs by comparing two African nation-states–Morocco and Tanzania–to show how the states and subaltern groups do (or do not) develop TDIMs related to solar power. While international governance organizations often portray Morocco as authoritarian and Tanzania corrupt, each state differently experienced colonization and decolonization and practices different relationships with domestic subaltern groups. Whereas low-income citizens and indigenous groups seek integration into the Moroccan state’s STIM, the Maasai in Tanzania chart their own TDIM separate from the state and international development groups.

14 SOLAR ENERGY↗
DOE OSTI2020

Thermal dissipation sensors enter a new age: Navigating frontiers in transpiration and hydrologic function

Thermal dissipation (TD) sensors have been used extensively for a wide array of sap flow applications, and yet recently several limitations of this approach have been identified, including a tendency to underestimate absolute flows, especially in small stems with very high flows. However, when used properly, the TD method remains the most cost effective and reliable approach for determining relative flows in comparison studies. Major advantages of this method include the ability to replicate maximally within trees, across trees of different sizes, and across multiple species to capture the full range of natural variation in the study system. From early studies, such variation has been deemed a major challenge for representing stand-level dynamics. In a series of recent comparison studies, we determined mean sap flux density dynamics within and among groups of trees. These studies were conducted within temperate coniferous forest (n=46), temperate oak savanna (n=36), temperate pine forest (n=49), temperate bottomland hardwood forest (n=23), tropical premontane rainforest (n=43), semiarid subtropical shrubland (n=25), and tropical dry forest (n=15), with a total of 237 sensors. Two study sites were also equipped with eddy covariance systems for determination of stand-level evapotranspiration. Sites subject to high background thermal gradients used the transient thermal dissipation method. Comparisons varied between studies but tended to focus on relative flow differences between species, between wetter and drier microsites, between understory and overstory components, or between wetter and drier periods of the growing season. Except for the shrubland sites, study trees tended to be at least 15-cm diameter and frequently exceeded 50-cm diameter. Results of this cross-site comparison highlight the inherent variation in natural stands and the importance of using large sample sizes. The TD approach remains a valuable and preferred method for the future determination of water use in trees. However, sensor replication can fundamentally impact a study's outcomes and should be more carefully considered in study design. Customized error mitigation strategies are best to address the sources of variation most problematic for a particular study. In conclusion, the development of “smart” calibration approaches that correct for fundamental effects of radial variation inherent in thermal dissipation studies is discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Lifetime extension drop-test of real-world corroded 5 Quart Hagan nuclear material storage container

A 5Qt Hagan container with a 20-year history of nuclear material storage was challenged with three successive drop tests at a height of 3.7 meters. The total mass of the test package was 12.1 kg. The 1st and 2nd drop tests (center of gravity over the container bottom corner but 180 degrees apart on the container bottom face) passed the pre- and post- impact helium leak criterion at less than 1.00E-6 atm-cc/sec (ambient cubic centimeters per second). The 3rd and final test (center of gravity over top corner) failed with a post-impact gross leak of 1.1E-1 atmcc/sec. The RRFMC (Respirable Release Fraction Measurement Chamber) is a drop tower test system that is critical for the sustainability of the SAVY-4000™ series and Hagan-type (NFT Inc. Golden CO) nuclear material storage containers. These are the primary in-use nuclear material storage container types at the Los Alamos National Laboratory TA-55 facility. Results are presented to expand the technical knowledge basis for container lifetime, regarding actual exposure to corrosive gas species on the container inner surfaces. The primary source of general corrosion throughout the container is gaseous hydrogen chloride (HCl). This gas is generated by the degradation of the polyvinylchloride (PVC) bag-out bag. Additionally, in most cases, the nuclear material itself also releases HCl gas (due to residual chemical components associated with the material formation). The RRFMC drop tower gives the end-user the ability record and analyze high-speed video and photography and if needed aerosol mass release measurements. In this report the principal issue is the physical deformation of the 5Qt Hagan container. There were no mass release experiments of test aerosol mass in the present study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Vertical-Axis Wind Turbine Steady and Unsteady Aerodynamics for Curved Deforming Blades

Vertical-axis wind turbines’ simpler design and low center of gravity make them ideal for floating wind applications. However, efficient design optimization of floating systems requires fast and accurate models. Low-fidelity vertical-axis turbine aerodynamic models, including double multiple streamtube and actuator cylinder theory, were created during the 1980s. Commercial development of vertical-axis turbines all but ceased in the 1990s until around 2010 when interest resurged for floating applications. Despite the age of these models, the original assumptions (2-D, rigid, steady, straight bladed) have not been revisited in full. When the current low-fidelity formulations are applied to modern turbines in the unsteady domain, aerodynamic load errors nearing 50% are found, consistent with prior literature. However, a set of steady and unsteady modifications that remove the majority of error is identified, limiting it near 5%. This paper shows how to reformulate the steady models to allow for unsteady inputs including turbulence, deforming blades, and variable rotational speed. A new unsteady approximation that increases numerical speed by 5–10× is also presented. Combined, these modifications enable full-turbine unsteady simulations with accuracy comparable to higher-fidelity vortex methods, but over 5000× faster.

17 WIND ENERGY↗
NASA NTRS2016

Currents and Associated Electron Scattering and Bouncing Near the Diffusion Region at Earth's Magnetopause

Based on high-resolution measurements from NASA's Magnetospheric Multlscale mission, we present the dynamics of electrons associated with current systems observed near the diffusion region of magnetic reconnection at Earth's magnetopause. Using pitch angle distributions (PAD) and magnetic curvature analysis, we demonstrate the occurrence of electron scattering in the curved magnetic field of the diffusion region down to energies of 20eV. We show that scattering occurs closer to the current sheet as the electron energy decreases. The scattering of Inflowing electrons, associated with field-aligned electrostatic potentials and Hall currents, produces a new population of scattered electrons with broader PAD which bounce back and forth in the exhaust. Except at the center of the diffusion region the two populations are collocated and appear to behave adiabatically: the inflowing electron PAD focuses inward (toward lower magnetic field), while the bouncing population PAD gradually peaks at 90 degrees away from the center (where it mirrors owing to higher magnetic field and probable field-aligned potentials).

Lavraud, B.↗
DOE OSTI2023

Automated identification and calculation of prompt effects in kinetic mechanisms using statistical models

The kinetics of prompt dissociation involves rovibrationally excited species (generally formed by exothermic reactions) which may dissociate or isomerize prior to thermalization via collisions with the bath gas. Treating such rovibrationally excited species (so-called "hot" species) with standard kinetic phenomenology may result in incorrect macroscopic representation of their reactivity. Here this work presents the first fully automated methodology for the calculation of prompt effects of a chosen species in a kinetic mechanism, including (i) reaction selection; (ii) theoretical calculation of rate constants and prompt branching fractions; and (iii) final rate constant fitting. The energy partition between hot fragments is estimated using a variety of statistical models, including a new physically sound microcanonical statistical model based on the rovibrational density of states of the fragments. The methodology is validated against literature data for the prompt dissociations of HCO and C 3 H 7 radicals. The microcanonical statistical model is in better agreement with trajectory simulations for larger species and is thus applicable for practical systems that typically involve large molecules, for which direct dynamics calculations are impractical. The automated workflow is applied to the evaluation of the effects of prompt dissociation for two isomeric radicals C 4 H 7 1-3 (1-methylallyl) and C 4 H 7 1-4 (3-buten-1-yl). Twelve H-atom abstraction reactions are selected and the corresponding rate constants are computed with first principles theory. The microcanonical statistical model predicts that prompt dissociations of C 4 H 7 1-3 and C 4 H 7 1-4 are already significant at 1000K, resulting in differences of up to an order of magnitude at 2000K with respect to the phenomenological thermal rate constants. To illustrate the effects of prompt dissociation on simulations of experimental data, the calculated prompt rate constants are implemented in both CRECK and C3MechV3.3 kinetic mechanisms. Simulations of experimental flame data illustrate the noticeable impact of prompt dissociation kinetics on the high-temperature combustion reactivity of C 4 H 8 -1 and C 4 H 8 -2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗