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At least 451 records · Page 25

Customer-Focused Key Performance Indicators for Electric Vehicle Charging

To systematically improve the public charging experience, EV charging industry stakeholders need to define and measure it precisely. Many stakeholders currently measure aspects of the charging experience, but they typically employ metrics that are either operational in nature, such as charger uptime and mean time between failures, or composite customer satisfaction indices. To improve the customer experience most effectively, the industry needs metrics that define the charging experience from the perspective of the customer, not business operations. Furthermore, industry practitioners need granular metrics to know what specific aspects of the charging experience need improvement. This report defines such customer-focused metrics, called key performance indicators (KPIs).

33 ADVANCED PROPULSION SYSTEMS↗

Hardware design and testing of the generic rear transition module for the global trigger subsystem of ATLAS Phase-II Upgrade

Abstract In the framework of the ATLAS experiment’s Phase-II Upgrade at the High-Luminosity Large Hadron Collider (HL-LHC), new and improved trigger hardware and algorithms will be implemented onto a single-level, 10 μs-latency architecture. The Global Trigger is a new subsystem which will bring event-filter capabilities by performing offline-like algorithms on full-granularity calorimeter data. The implementation of the functionality is firmware-focused and composed of several processing nodes, which are hosted on identical hardware, made up of an Advanced Telecommunications Computing Architecture (ATCA) front board, called Global Common Module (GCM), and a rear transition module (RTM), called Generic RTM (GRM). The GRM, which was developed to mitigate the risks deriving from the complex design and power management of the GCM, features an advanced Xilinx Versal Prime system-on-chip and can handle communication with the GCM and Front-End Link eXchange (FELIX) subsystem and trigger processors through 124 25.8 Gb/s transceiver links, for readout and control. Additionally, the GRM mounts a Low-Power GigaBit Transceiver (lpGBT) chip which enables emulation of the detector front-ends for integration tests. This paper presents the GRM hardware design and its testing.

Instruments & Instrumentation↗

Physical properties, internal structure, and the three‐dimensional petrography of CI chondrites

physical properties and the nature of their breccation, we investigated nine samples of the Ivuna and Orgueil CI chondrites ranging in size from 1 mm to 4 cm in approximate diameter. The combined mass of unique material investigated in this work is 113 g. For our investigations, we use ideal gas pycnometry, 3-D laser scanning, x-ray computed microtomography (μCT), and accompanying digital data extraction techniques. We found that the bulk density of the samples ranged from 1.61 to 2.10 g cm −3 . Larger samples tend to have a lower bulk density. Grain density (ranging from 2.44 to 2.55 g cm −3 ) is significantly less variable than the bulk density in our samples and the quantity of porosity (ranging from 14.6% to 33.8%) is the dominant factor in determining the bulk density of CI chondrite material. Our μCT results show that the visible porosity across all sizes of our CI chondrite samples is in the form of cracks, but these cracks can account for less than two-thirds of the porosity in the CI chondrites. Other porosity is not visible, even at μCT resolutions of 2.7 μm voxel edge −1 and we conclude that it is sub-micron in nature. It is not clear if the cracks seen in our samples are indigenous to the chondrites or are a result of terrestrial processes. We also find that the CI chondrites are excellent examples of the fractal-like nature of brecciation, where clasts can be observed at all scales we imaged. The breccias are composed of sub-equant-shaped and sub-rounded-textured clasts like melt-free impact breccias on other solar system bodies. From our μCT volume and digital data extraction, we determine that the Ivuna CI chondrite breccia is organized: the mostly sub-equant clasts within our ~2 cm chunk of Ivuna have a mean diameter of 1.33 mm and their aligned longest axes define a lineation structure. We speculate that the lineation was imparted after fragmentation of the clasts by slight shear on the parent asteroid which could be the result of seismic-related granular flow or mild non-axial impact-related compaction. These data will help to place returned asteroidal material from asteroids 162173 Ryugu and 101955 Bennu and the CI chondrites into a mutual geological context.

CI chondrite↗

Dataset Repository for Investigating Suicide Risk Using Social and Environmental Determinants of Health

Suicide is frequently modeled as a function of genetics and environment, where the latter refers to factors other than direct biological consequences, such as air quality, financial level, social connectivity, transportation and food access, and homelessness status. According to the World Health Organization, clean air, a stable climate, adequate water, sanitation and hygiene, safe chemical use, radiation protection, healthy and safe workplaces, sound agricultural practices, health-supportive cities and built environments, and a preserved natural environment are all prerequisites for good health. Understanding the relationships between these determinants and mental health outcomes requires standardized data that can be included in healthcare programs and health outcome models. There is a wealth of publicly available data on social and environmental factors provided by various US organizations that can benefit the design of health care systems and public health interventions, as well as improve our comprehension of factors that impact health. Such information would not only help improve the understanding of individual and community risk but also identify new risk factors that have not previously been therapeutically targeted, especially in terms of their impact on mental health. However, curating and standardizing such datasets is challenging because they are often recorded at numerous geographical and temporal resolutions and with varying spatial and temporal granularities. To address this challenge, we launched an endeavor in conjunction with the Veterans Health Administration to collect publicly available socioeconomic and environmental determinants of health statistics in the US. In this manuscript, we describe a social and environmental determinants of health (SEDH) datasets repository, data curation documentation, and a pipeline framework for data generation; This effort started in 2020, when we began constructing a scalable pipeline to automate the download, extraction, preparation, analysis, and production of datasets. These datasets have been made available to the VHA and may be shared upon agreement with collaborating organizations.

60 APPLIED LIFE SCIENCES↗

Optical Extinction Measurements of Dust Density in the GMRO Regolith Test Bin

A regolith simulant test bin was constructed and completed in the Granular Mechanics and Regolith Operations (GMRO) Lab in 2013. This Planetary Regolith Test Bed (PRTB) is a 64 sq m x 1 m deep test bin, is housed in a climate-controlled facility, and contains 120 MT of lunar-regolith simulant, called Black Point-1 or BP-1, from Black Point, AZ. One of the current uses of the test bin is to study the effects of difficult lighting and dust conditions on Telerobotic Perception Systems to better assess and refine regolith operations for asteroid, Mars and polar lunar missions. Low illumination and low angle of incidence lighting pose significant problems to computer vision and human perception. Levitated dust on Asteroids interferes with imaging and degrades depth perception. Dust Storms on Mars pose a significant problem. Due to these factors, the likely performance of telerobotics is poorly understood for future missions. Current space telerobotic systems are only operated in bright lighting and dust-free conditions. This technology development testing will identify: (1) the impact of degraded lighting and environmental dust on computer vision and operator perception, (2) potential methods and procedures for mitigating these impacts, (3) requirements for telerobotic perception systems for asteroid capture, Mars dust storms and lunar regolith ISRU missions. In order to solve some of the Telerobotic Perception system problems, a plume erosion sensor (PES) was developed in the Lunar Regolith Simulant Bin (LRSB), containing 2 MT of JSC-1a lunar simulant. PES is simply a laser and digital camera with a white target. Two modes of operation have been investigated: (1) single laser spot - the brightness of the spot is dependent on the optical extinction due to dust and is thus an indirect measure of particle number density, and (2) side-scatter - the camera images the laser from the side, showing beam entrance into the dust cloud and the boundary between dust and void. Both methods must assume a mean particle size in order to extract a number density. The optical extinction measurement yields the product of the 2nd moment of the particle size distribution and the extinction efficiency Qe. For particle sizes in the range of interest (greater than 1 micrometer), Qe approximately equal to 2. Scaling up of the PES single laser and camera system is underway in the PRTB, where an array of lasers penetrate a con-trolled dust cloud, illuminating multiple targets. Using high speed HD GoPro video cameras, the evolution of the dust cloud and particle size density can be studied in detail.

lunar simulant↗

Summary Report of Mission Acceleration Measurements for STS-89: Launched January 22, 1998

Support of microgravity research on the 89th flight of the Space Transportation System (STS-89) and a continued effort to characterize the acceleration environment of the Space Shuttle Orbiter and the Mir Space Station form the basis for this report. For the STS-89 mission, the Space Shuttle Endeavour was equipped with a Space Acceleration Measurement System (SAMS) unit, which collected more than a week's worth of data. During docked operations with Mir, a second SAMS unit collected approximately a day's worth of data yielding the only set of acceleration measurements recorded simultaneously on the two spacecraft. Based on the data acquired by these SAMS units, this report serves to characterize a number of acceleration events and quantify their impact on the local nature of the accelerations experienced at the Mechanics of Granular Materials (MGM) experiment location. Crew activity was shown to nearly double the median root-mean-square (RMS) acceleration level calculated below 10 Hz, while the Enhanced Orbiter Refrigerator/Freezer operating at about 22 Hz was a strong acceleration source in the vicinity of the MGM location. The MGM science requirement that the acceleration not exceed q I mg was violated numerous times during their experiment runs; however, no correlation with sample instability has been found to this point. Synchronization between the SAMS data from Endeavour and from Mir was shown to be close much of the time, but caution with respect to exact timing should be exercised when comparing these data. When orbiting as a separate vehicle prior to docking, Endeavour had prominent structural modes above 3 Hz, while Mir exhibited a cluster of modes around 1 Hz. When mated, a transition to common modes was apparent in the two SAMS data sets. This report is not a comprehensive analysis of the acceleration data, so those interested in further details should contact the Principal Investigator Microgravity Services team at the National Aeronautics and Space Administration's John H. Glenn Research Center.

Hrovat, Kenneth↗

Summary Report of Mission Acceleration Measurements for STS-89

Support of microgravity research on the 89th flight of the Space Transportation System (STS-89) and a continued effort to characterize the acceleration environment of the Space Shuttle Orbiter and the Mir Space Station form the basis for this report. For the STS-89 mission, the Space Shuttle Endeavour was equipped with a Space Acceleration Measurement System (SAMS) unit, which collected more than a week's worth of data. During docked operations with Mir, a second SAMS unit collected approximately a day's worth of data yielding the only set of acceleration measurements recorded simultaneously on the two spacecraft. Based on the data acquired by these SAMS units, this report serves to characterize a number of acceleration events and quantify their impact on the local nature of the accelerations experienced at the Mechanics of Granular Materials (MGM) experiment location. Crew activity was shown to nearly double the median root-mean-square (RMS) acceleration level calculated below 10 Hz, while the Enhanced Orbiter Refrigerator/Freezer operating at about 22 Hz was a strong acceleration source in the vicinity of the MGM location. The MGM science requirement that the acceleration not exceed plus or minus 1 mg was violated numerous times during their experiment runs; however, no correlation with sample instability has been found to this point. Synchronization between the SAMS data from Endeavour and from Mir was shown to be close much of the time, but caution with respect to exact timing should be exercised when comparing these data. When orbiting as a separate vehicle prior to docking, Endeavour had prominent structural modes above 3 Hz, while Mir exhibited a cluster of modes around 1 Hz. When mated, a transition to common modes was apparent in the two SAMS data sets. This report is not a comprehensive analysis of the acceleration data, so those interested in further details should contact the Principal Investigator Microgravity Services team at the National Aeronautics and Space Administration's John H. Glenn Research Center.

Hrovat, Kenneth↗

Decarbonizing the US Energy System

Recent rapid and unexpected cost reductions in decarbonization technologies have accelerated the cost-effective decarbonization of the US economy, with greenhouse gas (GHG) emissions falling by 20% from 2005 to 2020. The literature on US economy-wide decarbonization focuses on maximizing long-term GHG emissions reduction strategies that rely mostly on renewable energy expansion, electrification, and efficiency improvements to achieve net-zero GHG emissions by 2050. While these studies provide a valuable foundation, further research is needed to properly support decarbonization policy development and implementation. In this review, we identify key decarbonization analysis gaps and opportunities, including issues related to cross-sectoral linkages, spatial and temporal granularity, consumer behavior, emerging technologies, equity and environmental justice, and political economy. We conclude by discussing the implications of these analysis gaps for US decarbonization pathways and how they relate to challenges facing major global emitters.

08 HYDROGEN↗

Large Vehicle Lunar Landing Surface Interaction and In-Situ Resource Based Risk Mitigation: Landing & Launch Pads

A key capability required for the exploration of planetary bodies is the ability to land on the surface. Previous work performed by NASA and other institutions has primarily focused on landing small spacecraft on planetary surfaces and the associated small-to-medium thrusters required for the soft landing. In the case of human exploration—particularly the establishment of long duration exploration and habitation outposts—the ability to land large landers, such as the SpaceX Starship, is necessary. These larger landing systems require the use of more powerful engines, with higher engine exhaust temperatures and higher landing loads. Understanding the excavation of material by the engines, as well as the potential for the landing legs to sink into the subsurface, is key in ensuring reliable and safe landings. A further improvement in landing reliability can be achieved by constructing landing / launch pads, especially with in-situ resources. Some material excavation by the plume is inevitable, leaving at least a portion of the surface scoured and uneven under the lander and ejecting regolith particles and rocks at very high velocities. One possible solution would be to robotically build landing / launch pads (ideally autonomously) at the destination using in-situ materials. In this case, the first one or few landers will need to land on unimproved surfaces at higher risk; however, they would bring the required equipment to build the landing pads with mostly local resources, thus increasing the reliability of safe landing for subsequent larger landers. A number of methods to build in-situ landing and launch pads have already been developed. These methods include no or some addition of required binder additives to the local regolith material, different processing approaches and result in varying landing pad strengths. A sub-scale rocket engine plume, was used to simulate some of the conditions of a landing on the Moon to assess the effectiveness of various materials for an in-situ built landing pad, The GO2/GCH4 rocket engine fired on 1m2 area coupons of representative pad materials. The results will allow continued development towards materials that satisfy the landing pad properties required for the effective risk reduction and increased reliability for landing people and equipment on the lunar surface. This work contained two parts: (1) computer modeling of a large rocket engine plume interacting with regolith on the Moon, using the Granular Gas Flow Solver (GGFS) provided by CFD Research Corporation as well as other computational fluid dynamics codes (CFD) such as Loci/CHEM. (2) Developing landing/launch pad materials that could be used for in-situ construction on the lunar surface in the future, to mitigate the calculated effects of a large vehicle rocket engine landing and launching on the Moon. The resulting computed values of plume impingement surface temperature, stagnation pressure, gas velocity, shear stress and heat flux were then matched as closely as possible in the Earth’s atmosphere in a sub-scale rocket engine GO2/CH4 test which was provided by Masten Space Systems in Mojave, California. The rocket engine was mounted on a test stand with vertical translation capabilities so that the landing operations of a lander could be simulated (Figure 1).The pad materials test coupons were placed at the surface of a large bin containing simulated lunar basalt regolith and subjected to a test firing as shown in Figure 2. The results of this testing will be presented with related findings, analysis and discussion.

Plume Surface Interaction↗

A Forward Feedback Control Scheme for a Solar Thermochemical Moving Bed Counter-Current Flow Reactor

Abstract Pelletized thermochemical energy storage media has a potential for long-duration energy storage. Production of solid-state energy storage media can be done within a cavity chemical reactor that captures concentrated solar radiation from a solar thermal field. The temperature stability of a solar reactor is directly influenced by the solar flux intercepted. This paper presents a low-order physical model to simulate the dynamic response of temperature inside a tubular plug-flow reactor prototype. Solid granular particles are fed to the reactor from the top whereas a counter-current flowing gas enters the reactor from the bottom. An in-house code was developed to model transient heat transfer of the reactor wall, gas, and moving particles. The model was preliminarily validated with packed beds for different temperature ranges and two gas flowrates. Dynamic response of the reactor temperature is simulated for different input power and gas/particle flowrates. The results show that the system response can be controlled efficiently by utilizing input power (solar flux) as a control parameter. A conventional proportional integral (PI) controller is designed to control the temperature inside the reactor and to maintain it during the solar flux intermittency. The controller parameters are tuned using the Ziegler–Nichols method to ensure optimal system response. The results show that the feedback control model is successful in tracking different reference reactor temperatures within a reasonable settling time of 30 min and eliminated overshoot. This study can be extended to include a hybrid reactor with a multi-input, multi-output variable system.

Energy & Fuels↗

Renewable Energy and Efficiency Technologies in Scenarios of U.S. Decarbonization in Two Types of Models: Comparison of GCAM Modeling and Sector-Specific Modeling

Energy system projections from quantitative models inform actions ranging from short-term and local decisions, such as those about technology and infrastructure deployment, and global and long-term negotiations and targets. Computational limits require model designers to balance coverage and resolution (i.e., breadth versus depth). Some models, such as the Global Change Analysis Model (GCAM), represent all energy sources and uses with less resolution than models that focus on a single sector's energy use. GCAM balances global supply and demand of all energy carriers projecting prices using internal calculations for energy sources and costs of greenhouse gas mitigation while capturing interlinkages between the energy system, water, agriculture and land use, the economy, and the climate. This globally comprehensive model was used to frame the Long-Term Strategy of the United States: Pathways to Net-Zero Greenhouse Gas Emissions by 2050, which the White House released in 2021 and has been used to inform national and global economy-wide climate change mitigation discussions and strategy development for decades. Unlike GCAM, sectoral models focus on a portion of the energy sector and with greater detail and resolution. The Regional Energy Deployment System (ReEDS) electricity-sector model, for example, projects electricity system capacity expansion and operation with high-fidelity representation of emerging technologies for deep decarbonization, such as variable renewable energy and energy storage, and integration of these technologies into the electric grid. The Transportation Energy and Mobility Pathway Options (TEMPO) transportation-sector model enables analysis of household choices, with a focus on adoption, charging, and use of electric vehicles. The Scout buildings-sector model supports detailed consideration of the policies and markets that can accelerate the adoption of electrification and energy conservation measures in buildings. Such sector-specific models are instrumental in informing technology research, sectoral planning strategies, and sector-specific aspects of greenhouse gas mitigation strategies in the United States. The integrated multisector and sector-specific modeling approaches represented by GCAM and these sectoral models are complementary. The integrated multisector approach calculates energy pricing and resource allocation within the model, which is important for consistency when future conditions substantially diverge from current conditions in transformative scenarios. The sector-specific approach facilitates representation of granular details across spatial, temporal, technological, and market dimensions that enable exploration of particular interactions and trade-offs. This report presents the results of recent work to explore the differences and trade-offs between these approaches by comparing GCAM with the sector-specific ReEDS, TEMPO, and Scout models. The report compares both model structures and results, and it addresses their potential relevance and applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hybrid and Inorganic Vacancy-Ordered Double Perovskites A 2 WCl 6

We report hybrid and all-inorganic, vacancy-ordered double perovskites of d 2 W 4+ with the formula A 2 WCl 6 (A = CH 3 NH 3 + , Rb + , and Cs + ). These compounds, which are reddish in color, can be distinguished from structurally similar compounds obtained by hydrothermal methods on the basis of structure, spectroscopic, and magnetic properties. The latter are green and incorporate oxygen, with the actual formula Cs 2 WO x Cl 6–x and distinct optical absorption and emission behavior. Furthermore, the local-moment magnetism of the pure-red d 2 compounds reported here does not correspond to the appropriate Kotani model, suggesting as-yet undiscovered physics in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A distribution model for the aerial application of granular agricultural particles

A model is developed to predict the shape of the distribution of granular agricultural particles applied by aircraft. The particle is assumed to have a random size and shape and the model includes the effect of air resistance, distributor geometry and aircraft wake. General requirements for the maintenance of similarity of the distribution for scale model tests are derived and are addressed to the problem of a nongeneral drag law. It is shown that if the mean and variance of the particle diameter and density are scaled according to the scaling laws governing the system, the shape of the distribution will be preserved. Distributions are calculated numerically and show the effect of a random initial lateral position, particle size and drag coefficient. A listing of the computer code is included.

Fernandes, S. T.↗

Zircon (U-Th)/He Impact Crater Thermochronometry and the Effects of Shock Microstructures on Helium Diffusion Kinetics

Accurate and precise age determination of impact cratering events remains challenging and often contentious; less than half of all known craters are regarded as accurately and precisely dated. Zircon (U-Th)/He (ZHe) dating of impactites can be employed to date medium to large impact structures as ZHe ages can be fully reset in minutes at T >1000°C, a plausible scenario in the central melt pool. In contrast, complete resetting of ZHe at 200-300°C, encountered near the crater margins or due to post-impact hydrothermal overprinting, may take >103-6 years. To test the reliability of ZHe impact dating, we have quantified the effects of shock-induced microstructures on helium diffusion kinetics in well-characterized variably shocked zircon. We investigated samples from two impact structures, the Chicxulub multi-ring crater and Ries complex crater, to compare diffusion kinetics from structures with different size, age, and hydrothermal system longevity. Shock microstructures were characterized by backscattered-electron imaging prior to determining the He diffusion kinetics by prograde and retrograde fractional-release experiments via light-bulb furnace with incremental step-heating (10°C) from 300°C to 600°C. Next, we examine the internal interconnectivity and sizes of the diffusion domains by EBSD. While we found that zircon with few shock microstructures exhibited no marked deviation from helium diffusion kinetics of undamaged zircon, zircon grains with planar microstructures and granular textures are characterized by a dramatic decrease in helium retentivity due to the reduction in the effective domain size and the introduction of interconnected fast diffusion pathways. A subset of grains were ZHe dated and showed that less deformed grains yielded a weighted mean age within error of the accepted impact ages, while the grains with planar microstructures or granular textures gave systematically younger ages. These new diffusion data and ZHe ages demonstrate that highly shocked grains are unsuitable for ZHe impact crater dating. Therefore, detailed characterization of impact-induced microstructures is critical for determining accurate ZHe impact ages and offers the possibility of investigating post-impact hydrothermal circulation.

Zircon↗

"Electrostructural Phase Changes" In Charged Particulate Clouds: Planetary and Astrophysical Implications

There is empirical evidence that freely-suspended triboelectrostatically charged particulate clouds of dielectric materials undergo rapid conversion from (nominally) monodispersed "aerosols" to a system of well-defined grain aggregates after grain motion or fluid turbulence ceases within the cloud. In United States Microgravity Laboratory Space Shuttle experiments USML-1 and USML-2, it was found that ballistically-energized grain dispersions would rapidly convert into populations of filamentary aggregates after natural fluid (air) damping of grain motion. Unless continuously disrupted mechanically, it was impossible to maintain a non-aggregated state for the grain clouds of sand-size materials. Similarly, ground- based experiments with very fine dust-size material produced the same results: rapid, impulsive "collapse" of the dispersed grains into well-defined filamentary structures. In both ground-based and microgravity experiments, the chains or filaments were created by long-range dipole electrostatic forces and dipole-induced dielectric interactions, not by monopole interactions. Maintenance of the structures was assisted by short-range static boundary adhesion forces and van der Waals interactions. When the aggregate containers in the USML experiments were disturbed after aggregate formation, the quiescently disposed filaments would rearrange themselves into fractal bundles and tighter clusters as a result of enforced encounters with one another. The long-range dipole interactions that bring the grains together into aggregates are a product of randomly-distributed monopole charges on the grain surfaces. In computer simulations, it has been shown that when the force vectors of all the random charges (of both sign) on a grain are resolved mathematically by assuming Coulombic interaction between them, the net result is a dipole moment on individual grains, even though the grains are electrically neutral insofar as there is no predominance, on their surface, of one charge sign over another. The random charges of both sign derive from natural grain-to-grain interactions that produce triboelectrification via charge exchange every time grain surfaces make contact with one another. The conversion from a random distribution of grains (upon which there are randomly distributed charges) into an organization of electrostatically-ordered aggregates, can be regarded (within the framework of granular-material science) as an "electrical or Coulombic phase change" of the particulate cloud. It is not totally dissimilar from the more normal phase-change concept in which, for example, a gas with long free-path-molecules suddenly becomes a solid as a result of structural ordering of the molecules (notably, also the result of electronic forces, albeit at a different scale). In both the gas-to-solid case, and the aerosol-to-aggregate case, the same materials and charges are present before and after the phase change, but their arrangement now has a higher degree of order and a lower-energy configuration. An input of energy into the system is required to reverse the situation. The aggregates in the USML experiments were observed to undergo at least two phase changes as noted above. The point about phase changes, and by implication, the "electrostructural" reorganizations in particulate clouds, is the following: (a) they can occur very rapidly, almost spontaneously, above a critical cloud density, (b) in going from a higher energy state to a lower energy state, they convert to a denser system, (c) energy must be required to reverse the situation, implying that energy is released during the high-to-low energy phase change. In applying this information to natural particulate clouds, some inferences can be made (it is stressed that reference is still to dielectric materials attracted by dipole forces). There are several natural settings to which the USML observations apply, and to which the phase-change implications likewise apply. Dense clouds of triboelectrically-charged, kinetically-energized grains are to be found in volcanic eruptions (particularly on earth), aeolian dust storms (particularly on Mars), meteorite impact ejecta curtains (on all planets), in "immature" debris rings around planets (e.g., that from which our own Moon may have condensed), and in gravitationally collapsing protoplanetary dust/planetesimal debris disks where dielectric granules are being increasingly brought into collisional relationships with one another (increasing both charge exchange and physical proximity). It is noted that in many of these cases, the degree of electrical charging on the grains is likely to be much higher than that in the USML experiments where charging was not enhanced above the "normal", naturally encountered level for the particular materials (quartz, glass, and various silicate minerals). Application of the phase-change concept suggests that volcanic, aeolian, and impact debris clouds may, under certain circumstances, undergo rapid, impulsive, or even catastrophic collapse into a denser state that will lead to rapid precipitation or fall-out of suspended particulates. Although this idea has been suggested previously by the author , the phase change concept possibly permits some new insights into cloud-system behavior. For example, in a protoplanetary debris disk, the work of gravity may suddenly be enhanced by electrostatically driven collapse of the system when materials reach a critical intergranular spacing or grain number density. This might reduce the rate of planet formation by orders of magnitude (considering the ratio of g-forces to electrostatic ones for very small grains in close proximity), and indeed, it might drive the collapse into a system configuration that would perhaps not be created by gravity alone. Additional information is contained in the original.

Marshall, J. R.↗

Data From Experiments on Bubbling Fluidization of Zeolite in a Rectangular Bubbling Fluidized Bed

Fluidization experiments were conducted in a lab-scale rectangular bubbling fluidized bed with the objective of generating a high-quality dataset for model validation and artificial intelligence/machine learning (AI/ML) training. Zeolite was chosen as the bed material, and the fluidizing medium was air as supplied by a compressor. Three different flow rates at the inlet were chosen such that the particles were fluidized but not elutriated from the system. The test matrix involved randomization and replicates to provide uncertainty estimates as well as four different batches of zeolite as the bed material. The quantities of interest obtained from this study were statistics of differential pressures, interface heights, and particle velocities. Considering all the components of the elaborate test plan, the results obtained were consistent and reproducible. Characterization tests were performed to estimate particle properties including size, density, coefficient of friction, coefficient of restitution, and minimum fluidization velocity. In addition, the angle of repose from granular discharge experiments has been reported to account for rolling friction, though its effect on the overall process is expected to be negligible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Studying performance portability of LAMMPS across diverse GPU-based platforms

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA's fast-fourier transform (FFT) library, and, more recently, also support for AMD's Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting communication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. In conclusion, the selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard–Jones potentials on Crusher and Summit.

97 MATHEMATICS AND COMPUTING↗

Studying Performance Portability of LAMMPS across Diverse GPU-based Platforms

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA’s fast-fourier transform (FFT) library, and, more recently, also support for AMD’s Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting com- munication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. The selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard-Jones potentials on Crusher and Summit.

Hagerty, Nick↗