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At least 289 records · Page 16

Fast Plasma Instrument for MMS: Simulation Results

Magnetospheric Multiscale (MMS) mission will study small-scale reconnection structures and their rapid motions from closely spaced platforms using instruments capable of high angular, energy, and time resolution measurements. The Dual Electron Spectrometer (DES) of the Fast Plasma Instrument (FPI) for MMS meets these demanding requirements by acquiring the electron velocity distribution functions (VDFs) for the full sky with high-resolution angular measurements every 30 ms. This will provide unprecedented access to electron scale dynamics within the reconnection diffusion region. The DES consists of eight half-top-hat energy analyzers. Each analyzer has a 6 deg. x 11.25 deg. Full-sky coverage is achieved by electrostatically stepping the FOV of each of the eight sensors through four discrete deflection look directions. Data compression and burst memory management will provide approximately 30 minutes of high time resolution data during each orbit of the four MMS spacecraft. Each spacecraft will intelligently downlink the data sequences that contain the greatest amount of temporal structure. Here we present the results of a simulation of the DES analyzer measurements, data compression and decompression, as well as ground-based analysis using as a seed re-processed Cluster/PEACE electron measurements. The Cluster/PEACE electron measurements have been reprocessed through virtual DES analyzers with their proper geometrical, energy, and timing scale factors and re-mapped via interpolation to the DES angular and energy phase-space sampling measurements. The results of the simulated DES measurements are analyzed and the full moments of the simulated VDFs are compared with those obtained from the Cluster/PEACE spectrometer using a standard quadrature moment, a newly implemented spectral spherical harmonic method, and a singular value decomposition method. Our preliminary moment calculations show a remarkable agreement within the uncertainties of the measurements, with the results obtained by the Cluster/PEACE electron spectrometers. The data analyzed was selected because it represented a potential reconnection event as currently published.

Figueroa-Vinas, Adolfo↗

Nanoarchitectonic Semiconductor–Bio Hybrid Systems with Enhanced Charge Transfer for Hydrogen Peroxide Production

Nanoarchitectonics offers a systematic approach to creating an artificial framework by integrating different multiscale components such as semiconductor lattices and biological substances. However, most nanoarchitectonic abiotic-biotic hybrid systems have intrinsic limitations in imparting nonequilibrium biological features into semiconductor lattices at the nanoscale. Here, in this study, we report a new nanoarchitectonic system integrating bismuth oxychloride (BiOCl) nanosheets with purple membrane (PM) patches. PM is an archaeal subcellular fraction capable of unidirectionally transferring photogenerated charge carriers to its surroundings at the nanoscale independent of archaeal metabolism and retaining this dynamic functionality after isolation from living archaea. Microscopy, spectroscopy, electrochemical, and synchrotron X-ray scattering analyses verify that the nanoarchitectonic hybridization between BiOCl and PM generates a vertical heterostructure, thereby enhancing photogenerated charge-carrier dynamics and enabling the associated photocatalytic capacity. The resulting PM-BiOCl hybrid nanosheets efficiently convert dioxygen into hydrogen peroxide through a two-electron and two-proton transfer process under ambient conditions while simultaneously converting ethylene glycol into value-added chemicals. This study presents a nanoarchitectonic approach that leverages the photogenerated charge-carrier dynamics of the archaeal subcellular fractions to modulate the optoelectronic and catalytic capacity limitations of semiconductors.

catalysis↗

Bio-inspired multiscale design for perovskite solar cells

Metal halide perovskite semiconductors have attractive light-harvesting and charge-carrier transport properties for photovoltaics. Perovskite solar cells (PSCs) and modules have demonstrated their commercial promise with high power conversion efficiencies, but still face stability challenges. In this Review, we explore how biomaterials offer design inspiration for the development of durable and efficient PSCs at three different scales. At the molecular level, bio-inspired molecular interactions are harnessed towards crystallization control and degradation prevention, which offers an enhancement in long-term maximum-power-point tracking stability. At the microstructural level, self-healing and strength-enhancing strategies, utilizing dynamic bonds and interfacial reinforcement, can help PSCs to recover from physical damage and maintain high performance. At the device level, macroscopic functionalities, such as moth-eye-inspired structures tailored to different layers, can collectively enable antireflection, radiative cooling and self-cleaning to optimize light management, heat dissipation and encapsulation in PSCs. Bio-inspired PSC research can combine improved efficiency and lifetime, with abundant, biocompatible alternatives to conventional stabilizers. Future efforts should focus on screening bioinspired molecules to optimize film crystallization and stability, developing self-healing mechanisms triggered by operational stress, designing cost-efficient biomicrostructures, and integrating multifunctional encapsulation to enhance the efficiency and lifespan of PSCs.

Duan, Tianwei↗

Magnetospheric Multiscale (MMS) Mission Commissioning Phase Orbit Determination Error Analysis

The Magnetospheric MultiScale (MMS) mission commissioning phase starts in a 185 km altitude x 12 Earth radii (RE) injection orbit and lasts until the Phase 1 mission orbits and orientation to the Earth-Sun li ne are achieved. During a limited time period in the early part of co mmissioning, five maneuvers are performed to raise the perigee radius to 1.2 R E, with a maneuver every other apogee. The current baseline is for the Goddard Space Flight Center Flight Dynamics Facility to p rovide MMS orbit determination support during the early commissioning phase using all available two-way range and Doppler tracking from bo th the Deep Space Network and Space Network. This paper summarizes th e results from a linear covariance analysis to determine the type and amount of tracking data required to accurately estimate the spacecraf t state, plan each perigee raising maneuver, and support thruster cal ibration during this phase. The primary focus of this study is the na vigation accuracy required to plan the first and the final perigee ra ising maneuvers. Absolute and relative position and velocity error hi stories are generated for all cases and summarized in terms of the ma ximum root-sum-square consider and measurement noise error contributi ons over the definitive and predictive arcs and at discrete times inc luding the maneuver planning and execution times. Details of the meth odology, orbital characteristics, maneuver timeline, error models, and error sensitivities are provided.

Chung, Lauren R.↗

Magnetospheric Multiscale Mission Micrometeoroid/Orbital Debris Impacts

The MMS spacecraft are highly instrumented (accelerometers, star cameras, Sun sensors, science experiments for plasmas etc.). This presentation will discuss how data from these systems has allowed two micrometeoroid/orbital debris events to be studied: the Feb. 2, 2016 impact with an MMS4 shunt resistor, and the June 12, 2016 impact with an MMS4 wire boom.

Attitude dynamic↗

The Capacity Expansion Regional Feasibility (CERF) Model: High-Resolution Power Plant Siting

Abstract This presentation gives an overview of the geospatial power plant siting model CERF. CERF (Capacity Expansion Regional Feasibility) is an open source Python package developed under the Integrated Multisector Multiscale Modeling (IM3) Project at PNNL. This presentation covers an overview of how the CERF model works, walks through various power plant siting analyses, and discusses future research opportunities for the model. The CERF model can be accessed at https://github.com/IMMM-SFA/cerf. PNNL Information Release Number: PNNL-SA-207336 Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program.

Mongird, Kendall [Pacific Northwest National Labor↗

Multiscale Modeling of Vinyl-Addition Polynorbornenes: The Effect of Stereochemistry

Vinyl-addition polynorbornenes are candidates for designing high-performance polymers due to unique characteristics, which include a high glass transition temperature associated with a rigid backbone. Recent studies have established that the processability and properties of these polymers can be fine-tuned by using targeted substitutions. However, synthesis with different catalysts results in materials with distinct properties, potentially due to the presence of various stereoisomers that are difficult to quantify experimentally. Herein, we develop all-atom models of polynorbornene oligomers based on classical force fields and density functional theory. To establish the relationship between chemical architecture, chain conformations, and melt structure, we perform detailed molecular dynamics simulations with the fine-tuned atomistic force field and propose simpler coarse-grained descriptions to address the high molecular weight limit. All-atom simulations of oligomers suggest high glass transition temperatures in the range of 550–600 K. In the melt state (800 K), meso chains form highly rigid extended coils (C∞≈11) with amorphous structural characteristics similar to the X-ray diffraction data observed in the literature. In contrast, simulations with racemo chains predict highly helical tubular chain conformations that could promote assembly into crystalline structures.

Polymer Science↗

Multiscale Modeling of Grain-Boundary Fracture: Cohesive Zone Models Parameterized From Atomistic Simulations

A multiscale modeling strategy is developed to study grain boundary fracture in polycrystalline aluminum. Atomistic simulation is used to model fundamental nanoscale deformation and fracture mechanisms and to develop a constitutive relationship for separation along a grain boundary interface. The nanoscale constitutive relationship is then parameterized within a cohesive zone model to represent variations in grain boundary properties. These variations arise from the presence of vacancies, intersticies, and other defects in addition to deviations in grain boundary angle from the baseline configuration considered in the molecular dynamics simulation. The parameterized cohesive zone models are then used to model grain boundaries within finite element analyses of aluminum polycrystals.

Glaessgen, Edward H.↗

Formation Tetrahedron Design for Phase I of the Magnetospheric Multiscale Mission

The Magnetospheric Multiscale Mission (MMS) is a NASA mission intended to make fundamental advancements in our understanding of the Earth's Magnetosphere. There are three processes that MMS will study including magnetic reconnection, charged particle acceleration, and turbulence. There are four phases in the nominal mission and this work addresses some of the outstanding issues in phase I. The nominal phase I orbit is 1.2 x 12 R(sub e) highly elliptic orbit with four spacecraft nominally forming a regular tetrahedron. In this paper we investigate the relative dynamics of the four MMS spacecraft about an assumed reference orbit. There are several tetrahedron dimensions required in Phase I of the mission and in this work we design optimal tetrahedrons for the 10 km baseline. The performance metric used in the optimization process is directly related to the science return, and is based on an extension of previous work performed by Glassmeier. The optimizer we use is a commercially available Sequential Quadratic Programming (SQP) routine. Multiple optimal solutions are found, and we characterize how the performance of the formation varies between different regions of the reference orbit.

Hughes, Steven P.↗

Observations of Deep Ionospheric F-Region Density Depletions with FPMU Instrumentation and their Relationship with the Global Dynamics of the June 22-23, 2015 Geomagnetic Storm

The magnetic storm that commenced on June 22, 2015 was one of the largest storms in the current solar cycle, resulting from an active region on the Sun that produced numerous coronal mass ejections (CMEs) and associated interplanetary shock waves. On June 22 at 18:36 UT the magnetosphere was impacted by the leading-edge shock wave and a sheath carrying a large and highly variable interplanetary magnetic field (IMF) Bz with values ranging from +25 to -40 nT. During the subsequent interval from 0000 to 0800 UT, there was a second intensification of the geomagnetic storm resulting from the impact of the CME. We present dramatic responses of simultaneous particle measurements from the high-altitude Magnetospheric Multiscale Mission (MMS) at high altitudes in the magnetosphere (approx. 9-12 Re) and from the low-altitude (F-region) Floating Potential Measurement Unit (FPMU) on board the International Space Station (ISS). We analyze potential causes of these dramatic particle flux dropouts by putting them in the context of storm-time electrodynamics, and support our results with numerical simulations of the global magnetosphere and ionosphere. During the sheath phase of the storm, the MMS spacecraft in the near-earth equatorial plane observed a rapid reconfiguration of the magnetic field near 1923 UT. Initially in the warm plasmasheet, particle flux dropouts were observed as they tracked the plasma-sheet to lobe transitions with the stretching and thinning of the plasmasheet. Anti-sunward flowing O+ ions of ionospheric origin were also measured during this period, confirming that the MMS spacecraft temporarily was in a lobe.

Coffey, Victoria↗

Observations of Deep Ionospheric F-Region Density Depletions with FPMU Instrumentation and Their Relationship with the Global Dynamics of the June 22-23, 2015 Geomagnetic Storm

The magnetic storm that commenced on June 22, 2015 was one of the largest storms in the current solar cycle, resulting from an active region on the Sun that produced numerous coronal mass ejections (CMEs) and associated interplanetary shock waves. On June 22 at 18:36 UT the magnetosphere was impacted by the leading-edge shock wave and a sheath carrying a large and highly variable interplanetary magnetic field (IMF) Bz with values ranging from +25 to -40 nT. During the subsequent interval from 0000 to 0800 UT, there was a second intensification of the geomagnetic storm resulting from the impact of the CME. We present dramatic responses of simultaneous particle measurements from the high-altitude Magnetospheric Multiscale Mission (MMS) at high altitudes in the magnetosphere (approx. 9-12 Re) and from the low-altitude (F-region) Floating Potential Measurement Unit (FPMU) on board the International Space Station (ISS). We analyze potential causes of these dramatic particle flux dropouts by putting them in the context of storm-time electrodynamics, and support our results with numerical simulations of the global magnetosphere and ionosphere. During the sheath phase of the storm, the MMS spacecraft in the near-earth equatorial plane observed a rapid reconfiguration of the magnetic field near 1923 UT. Initially in the warm plasma sheet, particle flux dropouts were observed as they tracked the plasma-sheet to lobe transitions with the stretching and thinning of the plasma sheet. Anti-sunward flowing O+ ions of ionospheric origin were also measured during this period, confirming that the MMS spacecraft temporarily was in a lobe.

Coffey, Victoria↗

Videos, photos, and AI-derived grain size data associated with “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization” under review. This data package includes five data types: 1) raw photos and videos from drone survey and walking smartphone surveys; 2) images derived from raw videos; 3) manual labeling of reference scales; 4) metadata for all images and photo resolution derived from artificial intelligence (AI) models or manual labels, 5) grain size data obtained from AI models for all photos, 6) metadata and grain size data after quality control, 7) summaries of sample efficiency for all data, and 8) computational fluid dynamics (CFD) data used to support hydro-biogeochemical (HBGC) parameter estimation. Such data is used to 1) demonstrate significant improvements in accuracy, efficiency, and quality control for grain size data collection with the help of AI models, 2) study the spatial heterogeneity of grain size and observation reproducibility based on tens of thousands of data points generated by the AI models, and 3) evaluate the impacts of grain size heterogeneity on key HBGC parameters across sediment-to-reach and hourly-to-yearly scales. In particular, the data package contains 116 folders and 179696 files. The files include 41 videos in .mov format, 64047 photos in .jpg format, 13541 video-derived photos in .png format, 12747 segmentation mask data in .tif format, 12747 segmentation data in .json format, 24771 .csv files that with metadata and grain size for each individual photo as well as water depth and velocity data from CFD and observation, 51791 .txt files of raw AI predicted labels, and 11 flight record data in .srt format. The summary for all metadata and grain size statistics information is included in “Scales_V3_NG.csv” and “Statistics_V3_NG.csv”. The summary for data that pass data quality control (QC) level 0-2 is included in “QCStatistics_V3_NG.csv”. The QC level 0 represents photos whose photo resolution is positive, excluding photos that miss reference scale. The QC level 1 means reference scale circularity uncertainty is less than 5% for smartphone images while representing photo resolution is larger than 0.44 mm/pixel for drone images. The QC level 2 means excluding photos whose grain number is less than 100, a minimum number of grains recommended by classic literature. The summary for each video’s name, length, frame rates, survey area, grain number, survey efficiency, etc. can be found in “QCSummary_V3_NG.csv”. The summary for site name, GPS coordinates, and number of images at each site can be found in “SitesSummary_V3_*.csv” files. Overall computational efficiency summary is reported in Table 4 of accompanying manuscript. Additionally, the nitrate concentration data used in this work was downloaded from an existing dataset published on ESS-DIVE (Boat-Dragged Sensor Hanford Reach.csv; Conner A. et al., 2020). We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Port of Benton, and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the data were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate data collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Multiscale Modeling Framework Using Element‐Based Galerkin Methods for Moist Atmospheric Limited‐Area Simulations

This paper presents a multiscale modeling framework (MMF) to model moist atmospheric limited-area weather. The MMF resolves large-scale convection using a coarse grid while simultaneously resolving local features through numerous fine local grids and coupling them seamlessly. Both large- and small-scale processes are modeled using the compressible Navier-Stokes equations within the Nonhydrostatic Unified Model of the Atmosphere (NUMA), and are discretized using a continuous element-based Galerkin method (spectral elements) with high-order basis functions. Consequently, the large-scale and small-scale models share the same dynamical core but have the flexibility to be adjusted individually. The proposed MMF method is tested in 2D and 3D idealized limited-area weather problems involving storm clouds produced by squall line and supercell simulations. Numerical results from the MMF showed enhanced representation of cloud processes compared to the coarse model.

Kang, Soonpil [Naval Postgraduate School, Monterey↗

Initial Development of Fusion Magnet Simulation Capabilities for Performance and Safety Evaluation Using the MOOSE Framework

Fusion energy holds the promise of being a transformative technology as a carbon-neutral, sustainable source of energy. Whole device modeling and the development of fusion digital twins will be increasingly important for emerging fusion device concepts at both national laboratories and within the commercial fusion industry. However, meeting the challenge of whole device modeling of fusion energy devices requires robust, multiphysics, multiscale modeling and simulation technologies capable of running on large-scale supercomputers. Detailed analysis of individual systems at-scale is also required to ensure safe and efficient operation as well as provide the safety basis for future device designs and licensing activities. In a tokamak, toroidal and poloidal magnets confine and shape the fusion plasma to promote the fusion reaction. High plasma temperatures and high magnetic field requirements in modern design concepts (leading to high amounts of energy stored within each magnet) impose electrical, thermal, and mechanical loads on the magnet components, which in turn impacts the safety considerations of the magnet and their supporting systems. Idaho National Laboratory (INL) has a history of working in this space, including development and benchmarking of the Magnetic System Circuitry Analysis Program (MSCAP) and Magnet Arcing (MAGARC) codes to study magnet quench events; notably, MAGARC was used to study quenching during the ITER Engineering Design Activity. However, these legacy codes and capabilities are not parallel and scalable, and new tools are required for future advances in this area, which leads to the INL-developed Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Developed originally for fission reactor systems under United States Department of Energy, Office of Nuclear Energy modeling and simulation programs, the MOOSE framework has been well-suited to multiscale, multiphysics modeling and simulation needs for nuclear systems. The framework is open-source, well-tested, under continuous development and deployment, and developed to a Nuclear Quality Assurance, Level 1 software quality standard. MOOSE has also been used in the fusion space previously in several projects: INL’s Tritium Migration Analysis Program, Version 8 (TMAP8) for tritium migration, UK Atomic Energy Authority’s A Unified Resource for OpenMC (fusion) Reactor Applications (AURORA) code for fusion thermo-mechanical and neutronics analysis, and Argonne National Laboratory’s Cardinal for high-fidelity computational fluid dynamics and neutronics. However, to model superconducting magnets, several MOOSE enhancements are required: additions to the current MOOSE electromagnetic capabilities, new material libraries for superconductors of interest (such as YBCO), as well as fusion-specific models for thermo-mechanics. This talk will discuss initial development activities to build these capabilities in MOOSE, focusing on initial validation and benchmarking activities. Proposed coupling workflows and future work to support the simulation of fusion magnets and magnet structural assemblies for performance and safety evaluation in MOOSE will also be discussed.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Navigation Operations for the Magnetospheric Multiscale Mission

The Magnetospheric Multiscale (MMS) mission employs four identical spinning spacecraft flying in highly elliptical Earth orbits. These spacecraft will fly in a series of tetrahedral formations with separations of less than 10 km. MMS navigation operations use onboard navigation to satisfy the mission definitive orbit and time determination requirements and in addition to minimize operations cost and complexity. The onboard navigation subsystem consists of the Navigator GPS receiver with Goddard Enhanced Onboard Navigation System (GEONS) software, and an Ultra-Stable Oscillator. The four MMS spacecraft are operated from a single Mission Operations Center, which includes a Flight Dynamics Operations Area (FDOA) that supports MMS navigation operations, as well as maneuver planning, conjunction assessment and attitude ground operations. The System Manager component of the FDOA automates routine operations processes. The GEONS Ground Support System component of the FDOA provides the tools needed to support MMS navigation operations. This paper provides an overview of the MMS mission and associated navigation requirements and constraints and discusses MMS navigation operations and the associated MMS ground system components built to support navigation-related operations.

Navigation↗

Topological Data Analysis for Particulate Gels

Soft gels, formed via the self-assembly of particulate materials, exhibit intricate multiscale structures that provide them with flexibility and resilience when subjected to external stresses. Here, this work combines particle simulations and topological data analysis (TDA) to characterize the complex multiscale structure of soft gels. Our TDA analysis focuses on the use of the Euler characteristic, which is an interpretable and computationally scalable topological descriptor that is combined with filtration operations to obtain information on the geometric (local) and topological (global) structure of soft gels. We reduce the topological information obtained with TDA using principal component analysis (PCA) and show that this provides an informative low-dimensional representation of the gel structure. We use the proposed computational framework to investigate the influence of gel preparation (e.g., quench rate, volume fraction) on soft gel structure and to explore dynamic deformations that emerge under oscillatory shear in various response regimes (linear, nonlinear, and flow). Our analysis provides evidence of the existence of hierarchical structures in soft gels, which are not easily identifiable otherwise. Moreover, our analysis reveals direct correlations between topological changes of the gel structure under deformation and mechanical phenomena distinctive of gel materials, such as stiffening and yielding. In summary, we show that TDA facilitates the mathematical representation, quantification, and analysis of soft gel structures, extending traditional network analysis methods to capture both local and global organization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Generalized Momentum Control of the Spin-Stabilized Magnetospheric Multiscale (MMS) Formation

Angular momentum control maneuvers required to keep spin-axis in science box. Traditional approach uses de-coupled modes for pointing, spin, nutation Impractical for MMS Frequency and Number of maneuvers (Orbit Control, Pointing, Nutation, Spin, four observatories, every 2-4 weeks). Difficult to implement de-coupled open-loop control with flexible wire booms. Desire a unified angular momentum controller. Comprehensively control pointing, spin, and nutation.

Maneuver and Attitude Dynamics↗