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At least 73 records · Page 4

Particle dynamics associated with the space environment

A major factor in dust dynamics in a microgravity environment is the absence of settling; hence, Spacelab air will contain larger particles than a comparable laboratory on earth. In addition, the presence of low level acceleration fluctuations (thruster firings, crew motions, etc.) could inhibit dust removal by surface scavenging. Because of the presence of larger particles, aerosol dynamics at larger Reynolds numbers must be considered. An accurate drag coefficient for spherical particles was developed for the higher Reynolds number phenomena. A general graphic correlation for the drag coefficient as a function of Reynolds and Knudsen numbers was developed based on currently available drag data for spheres. The general equations that govern dust dynamics were reviewed.

Sandborn, V. A.↗

Solid particle dynamic behavior through twisted blade rows

The particle trajectory calculations provide the essential information which is required for predicting the pattern and intensity of turbomachinery erosion. Consequently, the evaluation of the machine performance deterioration due to erosion is extremely sensitive to the accuracy of the flow field and blade geometry representation in the trajectory computational model. A model is presented that is simple and efficient yet versatile and general to be applicable to axial, radial and mixed flow machines, and to inlets, nozzles, return passages and separators. The results of the computations are presented for the particle trajectories through a row of twisted vanes in the inlet flow field. The effect of the particle size on their trajectories, blade impacts, and on their redistribution and separation are discussed.

Hamed, A.↗

Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor

We investigate multicompartment micelle consisting of poly(2-oxazoline)-based triblock copolymers for nanoreactor application, using DPD simulation method to characterize the internal structure of micelle and the distribution of reactant. Here, the DPD simulation parameters are determined from the Flory-Huggins interaction parameter (χ FH ). From the snapshots of the micellar structures and radial distribution function of polymer blocks, it is clearly presented that the micelle has the feature of the multicompartment. In addition, by implementing the DPD simulations in the presence of reactants, it is found that Reac-C4 and Reac-OPh are well associated with the hydrophilic shell of the micelle whereas other two reactants such as Reac-Ph and Reac-Cl are not incorporated into the micelle. From our DPD simulations, we confirm that the miscibility (solubility) of reactant with the micelle has strong correlation with the rate of hydrolysis kinetic resolution. Utilizing accurate methods evaluating accurate χ FH parameters for molecular interactions in micelle system, this DPD simulation can have a great potential to predict the micelle structures consisting of designed multiblock copolymers for useful reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigation of neutral particle dynamics in Aditya tokamak plasma with DEGAS2 code

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated which was matched with the experimental one. The dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~ 2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7 to 40 eV).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Data-driven particle dynamics: Structure-preserving coarse-graining for emergent behavior in non-equilibrium systems

Multiscale systems are ubiquitous in science and technology, but are notoriously challenging to simulate as short spatiotemporal scales must be appropriately linked to emergent bulk physics. When expensive high-dimensional dynamical systems are coarse-grained into low-dimensional models, the entropic loss of information leads to emergent physics which are dissipative, history-dependent, and stochastic. To machine learn coarse-grained dynamics from time-series observations of particle trajectories, we propose a framework using the metriplectic bracket formalism that preserves these properties by construction; most notably, the framework guarantees discrete notions of the first and second laws of thermodynamics, conservation of momentum, and a discrete fluctuation-dissipation balance crucial for capturing non-equilibrium statistics. We introduce the mathematical framework abstractly before specializing to a particle discretization. As labels are generally unavailable for entropic state variables, we introduce a novel self-supervised learning strategy to identify emergent structural variables. We validate the method on benchmark systems and demonstrate its utility on two challenging examples: (1) coarse-graining star polymers at challenging levels of coarse-graining while preserving non-equilibrium statistics, and (2) learning models from high-speed video of colloidal suspensions that capture coupling between local rearrangement events and emergent stochastic dynamics. We provide open-source implementations in both PyTorch and LAMMPS, enabling large-scale inference and extensibility to diverse particle-based systems.

Computational Engineering, Finance, and Science (c↗

Energetic Particles Dynamics in Mercury's Magnetosphere

We investigate the drift paths of energetic particles in Mercury's magnetosphere by tracing their motion through a model magnetic field. Test particle simulations solving the full Lorentz force show a quasi-trapped energetic particle population that gradient and curvature drift around the planet via "Shabansky" orbits, passing though high latitudes in the compressed dayside by equatorial latitudes on the nightside. Due to their large gyroradii, energetic H+ and Na+ ions will typically collide with the planet or the magnetopause and will not be able to complete a full drift orbit. These simulations provide direct comparison for recent spacecraft measurements from MESSENGER. Mercury's offset dipole results in an asymmetric loss cone and therefore an asymmetry in particle precipitation with more particles precipitating in the southern hemisphere. Since the planet lacks an atmosphere, precipitating particles will collide directly with the surface of the planet. The incident charged particles can kick up neutrals from the surface and have implications for the formation of the exosphere and weathering of the surface

Energetic particles↗

Single-particle dynamics in a nonlinear accelerator lattice: attaining a large tune spread with octupoles in IOTA

Fermilab is constructing the Integrable Optics Test Accelerator (IOTA) as the centerpiece of the Accelerator R&D Program towards high-intensity circular machines. One of the factors limiting the beam intensity in present circular accelerators is collective instabilities, which can be suppressed by a spread of betatron frequencies (tunes) through the Landau damping mechanism or by an external damper, if the instability is slow enough. The spread is usually created by octupole magnets, which introduce the tune dependence on the amplitude and, in some cases, by a chromatic spread (tune dependence on particle's momentum). The introduction of octupoles usually lead to a resonant behavior and a reduction of the dynamic aperture. One of the goals of the IOTA research program is to achieve a high betatron tune spread, while retaining a large dynamic aperture using conventional octupole magnets in a special but realistic accelerator configuration. In this report, we present results of computer simulations of an electron beam in the IOTA by particle tracking and the Frequency Map Analysis. The results show that the ring's octupole magnets can be configured to provide a betatron tune shift of 0.08 (for particles at large amplitudes) with the dynamical aperture of over 20 beam sigma for a 150-MeV electron beam. The influence of the synchrotron motion, lattice errors, and magnet imperfections is insignificant for the parameters and levels of tolerances set by the design of the ring. Here, the described octupole insert could be beneficial for suppression of space-charge induced instabilities in high intensity machines.

43 PARTICLE ACCELERATORS↗

Cellulose nanofibrils and nanocrystals in confined flow: Single-particle dynamics to collective alignment revealed through scanning small-angle x-ray scattering and numerical simulations

Nanostructured materials made through flow-assisted assembly of proteinaceous or polymeric nanosized fibrillar building blocks are promising contenders for a family of high-performance biocompatible materials in a wide variety of applications. Optimization of these processes relies on improving our knowledge of the physical mechanisms from nano- to macroscale and especially understanding the alignment of elongated nanoparticles in flows. Here, we study the full projected orientation distributions of cellulose nanocrystals (CNCs) and nanofibrils (CNFs) in confined flow using scanning microbeam SAXS. For CNCs, we further compare with a simulated system of dilute Brownian ellipsoids, which agrees well at dilute concentrations. However, increasing CNC concentration to a semidilute regime results in locally arranged domains called tactoids, which aid in aligning the CNC at low shear rates, but limit alignment at higher rates. Similarly, shear alignment of CNF at semidilute conditions is also limited owing to probable bundle or flock formation of the highly entangled nanofibrils. Finally, this work provides a quantitative comparison of full projected orientation distributions of elongated nanoparticles in confined flow and provides an important stepping stone towards predicting and controlling processes to create nanostructured materials on an industrial scale.

36 MATERIALS SCIENCE↗

Plasma Wave and Particle Dynamics During Interchange Events in the Jovian Magnetosphere Using Juno Observations

Abstract Interchange instability is known to drive fast radial transport of particles in Jupiter's inner magnetosphere. Magnetic flux tubes associated with the interchange instability often coincide with changes in particle distributions and plasma waves, but further investigations are required to understand their detailed characteristics. We analyze representative interchange events observed by Juno, which exhibit intriguing features of particle distributions and plasma waves, including Z‐mode and whistler‐mode waves. These events occurred at an equatorial radial distance of ∼9 Jovian radii on the nightside, with Z‐mode waves observed at mid‐latitude and whistler‐mode waves near the equator. We calculate the linear growth rate of whistler‐mode and Z‐mode waves based on the observed plasma parameters and electron distributions and find that both waves can be locally generated within the interchanged flux tube. Our findings are important for understanding particle transport and generation of plasma waves in the magnetospheres of Jupiter and other planetary systems.

Geology↗

Simulating single-particle dynamics in magnetized plasmas: The RMF code

The RMF (Rotating Magnetic Field) code is designed to calculate the motion of a charged particle in a given electromagnetic field. It integrates Hamilton’s equations in cylindrical coordinates using an adaptive predictor-corrector double-precision variable-coefficient ordinary differential equation solver for speed and accuracy. RMF has multiple capabilities for the field. Particle motion is initialized by specifying the position and velocity vectors. Here, the six-dimensional state vector and derived quantities are saved as functions of time. A post-processing graphics code, XDRAW, is used on the stored output to plot up to 12 windows of any two quantities using different colors to denote successive time intervals. Multiple cases of RMF may be run in parallel and perform data mining on the results. Recent features are a synthetic diagnostic for simulating the observations of charge-exchange-neutral energy distributions and RF grids to explore a Fermi acceleration parallel to static magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Particle dynamics and current-free double layers in an expanding, collisionless, two-electron-population plasma

The expansion of a two-electron-population, collisionless plasma into vacuum has been examined in detail. Plasma density, plasma potential, electric field, and particle disribution functions have been measured in situ. It is demonstrated that the presence of a low-pressure (P not less than 2 x 10 to the -5th torr) background neutral gas modifies the expansion of the plasma. A new plasma source creating dense, pulsed discharge plasma with a low background pressure (P not greater than 2 x 10 to the -6th torr) has been developed to perform in situ measurements of the temporal and spatial plasma evolution during its expansion into vacuum.

Hairapetian, G.↗

Studies of Fundamental Particle Dynamics in Microgravity

This work summarizes theoretical and experimental concepts used to design the flight experiment mission for SHIVA - Spaceflight Holography Investigation in a Virtual Apparatus. SHIVA is a NASA project that exploits a unique, holography-based, diagnostics tool to understand the behavior of small particles subjected to transient accelerations. The flight experiments are designed for testing model equations, measuring g, g-jitter, and other microgravity phenomena. Data collection will also include experiments lying outside of the realm of existing theory. The regime under scrutiny is the low Reynolds number, Stokes regime or creeping flow, which covers particles and bubbles moving at very low velocity. The equations describing this important regime have been under development and investigation for over 100 years and yet a complete analytical solution of the general equation had remained elusive yielding only approximations and numerical solutions. In the course of the ongoing NASA NRA, the first analytical solution of the general equation was produced by members of the investigator team using the mathematics of fractional derivatives. This opened the way to an even more insightful and important investigation of the phenomena in microgravity. Recent results include interacting particles, particle-wall interactions, bubbles, and Reynolds numbers larger than unity. The Space Station provides an ideal environment for SHIVA. Limited ground experiments have already confirmed some aspects of the theory. In general the space environment is required for the overall experiment, especially for cases containing very heavy particles, very light particles, bubbles, collections of particles and for characterization of the space environment and its effect on particle experiments. Lightweight particles and bubbles typically rise too fast in a gravitational field and heavy particles sink too fast. In a microgravity environment, heavy and light particles can be studied side-by-side for long periods of time.

Rangel, Roger↗

"Hypothetical" Heavy Particles Dynamics in LES of Turbulent Dispersed Two-Phase Channel Flow

The extensive experimental study of dispersed two-phase turbulent flow in a vertical channel has been performed in Eaton's research group in the Mechanical Engineering Department at Stanford University. In Wang & Squires (1996), this study motivated the validation of LES approach with Lagrangian tracking of round particles governed by drag forces. While the computed velocity of the flow have been predicted relatively well, the computed particle velocity differed strongly from the measured one. Using Monte Carlo simulation of inter-particle collisions, the computation of Yamamoto et al. (2001) was specifically performed to model Eaton's experiment. The results of Yamamoto et al. (2001) improved the particle velocity distribution. At the same time, Vance & Squires (2002) mentioned that the stochastic simualtion of inter-particle collisions is too expensive, requiring significantly more CPU resources than one needs for the gas flow computation. Therefore, the need comes to account for the inter-particle collisions in a simpler and still effective way. To present such a model in the framework of LES/Lagrangian particle approach, and to compare the calculated results with Eaton's measurement and modeling of Yamamoto is the main objective of the present paper.

Gorokhovski, M.↗

Charged Particle Dynamics in the Lunar Environment

As the Artemis Program streams forward, organizations of scientists and engineers across the country have been coming together to solve the complex network of problems to once again achieve the milestone of successfully touching down on the moon. This project is no exception, and it has been an honor to work with the Electrostatics and Surface Physics Laboratory (ESPL), a lab within the Exploration Research and Technology Programs’ Spaceport Technologies Office (UB-G) located at the National Aeronautics and Space Administration at Kennedy Space Center (NASA KSC). The authors and their mentor James R. Phillips III3, in tandem with researchers from the Astrodynamics and Space Robotics Laboratory (ASRL) at the University of Central Florida (UCF), have been working on creating a state-of-the-art (SOA) granular gas dynamics model for particulate contamination prevention and mitigation purposes. In essence, the underlying objective for this project is to more accurately model the resulting electrodynamic interactions between lunar regolith grains with applications to dust mitigation and rocket engine plume surface interactions. To achieve this goal, the team has been expanding upon existing open source classical molecular dynamics code developed by Sandia National Laboratories (SNL). The following reports on the details of the problem at hand as well as the contributions that the authors have made towards resolution, including but not limited to the encoding of physical attributes and interactions for non-spherical polydisperse particle distributions within various bed geometries and preemptive data analysis implementations. Significant data analysis processes were utilized, and several original algorithms were created to perform critical evaluations, resulting in only a 0.006% error in discrepancy.

Annelisa B Esparza↗

Charged Particle Dynamics in Lunar Environment

Current state-of-the-art (SOA) granular gas dynamics models used to explain rocket plume impingement physics have not taken into account the natural or induced electrostatic environment of the lunar surface, nor the effect of charged regolith grains being present in the plume plasma. This work improved upon the SOA by adding long-range and contact inter-particle electrostatic interactions to a granular mechanics discrete element method (DEM) modeling software package. Experiments have been tentatively selected to fly on a lunar gravity Blue Origin New Shepard flight through the Flight Opportunities Program (FOP). These experiments will directly provide inputs into the models discussed in this report to provide validation from a more relevant environment than may be produced in the lab.

James Phillips↗

Probing surface-adsorbate interactions through active particle dynamics

Adsorbate molecules present in a reaction mixture may bind to and block catalytic sites. Measurement of the surface coverage of these molecules via adsorption isotherms is critical for modeling and design of catalytic reactions on surfaces. However, it is challenging to measure isotherms in solution in a way that is directly relevant to catalytic activity under reaction conditions, particularly since adsorbates may bind with an enormous range of surface affinity parameters. Here we used the motion of self-propelled catalytic Janus particles, which employ the decomposition of hydrogen peroxide fuel as a propulsion mechanism, to determine the effective surface coverage of thioglycerol, furfural, and ethanol on a platinum surface as a function of concentration in aqueous solution by measuring the decrease in active motion due to the blocking of active sites. For strongly adsorbing thioglycerol, this effective coverage was compared and contrasted to the total adsorbed amount measured using inductively-coupled plasma analysis. Demonstrating the broad applicability of this approach, the surface affinity of the three adsorbates spanned more than four orders of magnitude. For each species, the adsorbate-mediated attenuation of active motion occurred over a wide concentration range and was well-described by a Langmuir isotherm. The strongly interacting thioglycerol had the highest affinity towards the surface (K a = 15.5 ± 4.3 mM –1 ) and fully deactivated the active particle motion at surface saturation. Furfural had an intermediate affinity (K a = 0.42 ± 0.07 mM –1 ) but did not fully block H 2 O 2 access to the surface at apparent saturation, consistent with a maximum fractional surface coverage of θ max = 0.67. Ethanol exhibited even lower affinity (K a = 0.0025 ± 2x10 -4 mM –1 ) and its coverage saturated at only θ max = 0.38. Analysis of isotherms at elevated temperatures enabled direct extraction of the enthalpies of adsorption. The degree of surface coverage at adsorbate saturation appeared to correlate with the relative energies of adsorption for the different adsorbate species and was consistent with adsorbate saturation of one of multiple active site populations towards H 2 O 2 decomposition. Furthermore, computational investigations into solvent effects on furfural adsorption showed good quantitative agreement with the experimental results. This work leverages unique properties of active particles to explore fundamental catalysis questions and demonstrates a novel paradigm for significant and experimentally accessible multidisciplinary research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗