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At least 505 records · Page 28

Negative fluxes and cell-miss errors in the random ray method

The random ray method is a recently developed stochastic method for solving neutral particle transport problems based on the method of characteristics. Perhaps surprisingly for a characteristics-based method using flat sources, we note that the random ray method can produce negative fluxes which may be numerically troublesome in several situations. These occur most severely in fixed source problems where the source is in a region with a small cross section. Additionally, we briefly discuss another source of bias which can occur in similar situations, namely a ray missing a mesh with a strong source and small cross section, resulting in the entirety of the source being unphysically deposited locally. This paper describes the mechanism by which negative fluxes may occur and several different methods to mitigate their effects. These fixes are tested on an eigenvalue problem, a ‘fusion-like’ shielding problem, and a shielding problem featuring an adjoint calculation. Even when extremely coarse random ray quadratures are used such that 20%–30% of cells are missed during a given iteration, use of the preferred fix technique ensures local flux tally errors remain trivial (below 1%). The preferred fix is now the default option in SCONE and OpenMC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Time integrator agnostic charge conserving finite element PIC

Developing particle-in-cell (PIC) methods using finite element basis sets, and without auxiliary divergence cleaning methods, was a longstanding problem until recently. It was shown that if consistent spatial basis functions are used, one can indeed create a methodology that was charge conserving, albeit using a leapfrog time stepping method. While this is a significant advance, leapfrog schemes are only conditionally stable and time step sizes are closely tied to the underlying mesh. Ideally, to take full advantage of advances in finite element methods (FEMs), one needs a charge conserving PIC methodology that is agnostic to the time stepping method. This is the principal contribution of this paper. In what follows, we shall develop this methodology, prove that both charge and Gauss’ laws are discretely satisfied at every time step, provide the necessary details to implement this methodology for both the wave equation FEM and Maxwell solver FEM, and finally demonstrate its efficacy on a suite of test problems. The method will be demonstrated by single particle evolution, non-neutral beams with space-charge, and adiabatic expansion of a neutral plasma, where the Debye length has been resolved, and real mass ratios are used.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Particle acceleration at shocks - A Monte Carlo method

A Monte Carlo method is presented for the problem of acceleration of test particles at relativistic shocks. The particles are assumed to diffuse in pitch angle as a result of scattering off magnetic irregularities frozen into the fluid. Several tests are performed using the analytic results available for both relativistic and nonrelativistic shock speeds. The acceleration at relativistic shocks under the influence of radiation losses is investigated, including the effects of a momentum dependence in the diffusion coefficient. The results demonstrate the usefulness of the technique in those situations in which the diffusion approximation cannot be employed, such as when relativistic bulk motion is considered, when particles are permitted to escape at the boundaries, and when the effects of the finite length of the particle mean free path are important.

Kirk, J. G.↗

Analytical-numerical methods of calculations of energy and three-dimensional particle distributions in electromagnetic cascades

Analytical and numerical methods of calculation of the energy and three dimensional EPS characteristics are reported. The angular and lateral functions of electrons in EPS have been obtained by the Landau and small angle approximations A and B and compared with earlier data. A numerical method of solution of cascade equations for the EPS distribution function moments has been constructed. Considering the equilibrium rms angle as an example, errors appearing when approximating the elementary process cross sections by their asymptotic expressions are analyzed.

Ivanenko, I. P.↗

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Efficient Control of Atom Arrangement in Ternary Metal Chalcogenide Nanoparticles Using Precursor Oxidation State

Controlling both the concentration and the distribution of elements in a given material is often crucial to extracting and optimizing synergistic properties of the various constituents. An interesting class of such multielement materials is metal chalcogenide nanoparticles, which exhibit a wide range of composition-dependent optoelectronic properties including both bandgap-mediated processes and localized surface plasmon resonance properties, each of which is useful in applications ranging from energy conversion to sensing. Because metal chalcogenide nanoparticles can support several different metal elements in a variety of chalcogen lattices, this material class has particularly benefited from the ability to control both atom concentration and atom arrangement to tailor final particle properties. The primary method to access complex, multimetallic chalcogenide particles is via a postsynthetic cation exchange strategy. One-pot syntheses have been less explored to access these complex particles, although this route is desirable for economy and scalability. In this work, we compare the composition and morphology outcomes from cation exchange and one-pot preparation approaches using a Cu/Ag/Se system, which is already known to exhibit both binary and ternary metal chalcogenide phases. We show that at similar concentrations of the two metal cations, initial reaction conditions for the one-pot method yield multicomponent nanoparticles, whereas cation exchange yields homogeneous ternary metal chalcogenide structures. We then show that by tuning the precursor oxidation state for the one-pot method, this approach can be used to access homogeneous ternary metal chalcogenide particles that are similar in atom arrangement to the particles obtained using cation exchange. Taken together, our results demonstrate reliable synthetic methods that yield a variety of controlled compositions and composition morphologies in the Cu/Ag/Se system. Importantly, we demonstrate that this entire collection of architectures can all be accessed via a one-pot method simply by modifying metal precursor chemistry. The mechanistic insights gained and the resulting streamlined syntheses outlined indicate pathways to easily scaled, highly tailorable syntheses for rapid translation into downstream technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrating a ponderomotive guiding center algorithm into a quasi-static particle-in-cell code based on azimuthal mode decomposition

High fidelity modeling of plasma based acceleration (PBA) requires the use of three dimensional, fully nonlinear, and kinetic descriptions based on the particle-in-cell (PIC) method. In PBA an intense particle beam or laser (driver) propagates through a tenuous plasma whereby it excites a plasma wave wake. Three-dimensional PIC algorithms based on the quasi-static approximation (QSA) have been successfully applied to efficiently model the interaction between relativistic charged particle beams and plasma. In a QSA PIC algorithm, the plasma response to a charged particle beam or laser driver is calculated based on forces from the driver and self-consistent forces from the QSA form of Maxwell's equations. These fields are then used to advance the charged particle beam or laser forward by a large time step. Since the time step is not limited by the regular Courant-Friedrichs-Lewy (CFL) condition that constrains a standard 3D fully electromagnetic PIC code, a 3D QSA PIC code can achieve orders of magnitude speedup in performance. Recently, a new hybrid QSA PIC algorithm that combines another speedup technique known as an azimuthal Fourier decomposition has been proposed and implemented. This hybrid algorithm decomposes the electromagnetic fields, charge and current density into azimuthal harmonics and only the Fourier coefficients need to be updated, which can reduce the algorithmic complexity of a 3D code to that of a 2D code. Modeling the laser-plasma interaction in a full 3D electromagnetic PIC algorithm is very computationally expensive due the enormous disparity of physical scales to be resolved. In the QSA the laser is modeled using the ponderomotive guiding center (PGC) approach. We describe how to implement a PGC algorithm compatible for the QSA PIC algorithms based on the azimuthal mode expansion. Here this algorithm permits time steps orders of magnitude larger than the cell size and it can be asynchronously parallelized. Details on how this is implemented into the QSA PIC code that utilizes an azimuthal mode expansion, QPAD, are also described. Benchmarks and comparisons between a fully 3D explicit PIC code (OSIRIS), as well as a few examples related to laser wakefield acceleration, are presented.

97 MATHEMATICS AND COMPUTING↗

Bis-polymer lipid-peptide conjugates and nanoparticles thereof

The present invention provides bis-polymer lipid-peptide conjugates containing a hydrophobic block and headgroup containing a helical peptide and two polymer blocks. The conjugates can self-assemble to form helix bundle subunits, which in turn assemble to provide micellar nanocarriers for drug cargos and other agents. Particles containing the conjugates and methods for forming the particles are also disclosed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Light scattering by an arbitrary particle - The scattering-order formulation of the coupled-dipole method

The field scattered by an arbitrary particle modeled as an array of coupled dipoles can be expressed as an infinite series in terms of scattering orders. The fields of a given scattering order can be calculated from those of the previous order. When the series converge, the approximate method agrees well with the exact theory for a sphere. The maximum size of the dipolar array that can be used with the method as well as the number of terms required for convergence depends on the relative refractive index and the shape of the particle.

Singham, Shermila Brito↗

Symplectic machine learning model for fast simulation of space-charge effects

Symplectic simulation of space-charge effects is crucial for the design and operation of high-intensity particle accelerators. Traditional methods for simulating these effects are often computationally expensive, resulting in significant overhead. In this work, we introduce a generative model based on a U-Net architecture within a generative adversarial network framework to efficiently simulate space-charge effects. The model is trained to predict the transverse multiparticle space-charge Hamiltonian, which can be physically computed using a gridless spectral method. The one-step symplectic transverse transfer map for the particles is then obtained by differentiating the predicted Hamiltonian. Benchmarking results demonstrate that this generative model achieves an order of magnitude higher computational efficiency compared to the spectral method, providing a highly efficient alternative for simulating space-charge effects with a large number of particles. By maintaining symplecticity, the model effectively preserves the phase-space structure and mitigates nonphysical errors in long-term simulations. This model has been integrated into jutrack, a novel autodifferentiable accelerator modeling code developed in the julia programming language.

Beam code development & simulation techniques↗

Quenching Combustible Dust Mixtures Using Electric Particulate Suspensions (EPS): A New Testing Method For Microgravity

The Electric Particulate Suspension (EPS) is a combustion ignition system being developed at Iowa State University for evaluating quenching effects of powders in microgravity (quenching distance, ignition energy, flammability limits). Because of the high cloud uniformity possible and its simplicity, the EPS method has potential for "benchmark" design of quenching flames that would provide NASA and the scientific community with a new fire standard. Microgravity is expected to increase suspension uniformity even further and extend combustion testing to higher concentrations (rich fuel limit) than is possible at normal gravity. Two new combustion parameters are being investigated with this new method: (1) the particle velocity distribution and (2) particle-oxidant slip velocity. Both walls and (inert) particles can be tested as quenching media. The EPS method supports combustion modeling by providing accurate measurement of flame-quenching distance as a parameter in laminar flame theory as it closely relates to characteristic flame thickness and flame structure. Because of its design simplicity, EPS is suitable for testing on the International Space Station (ISS). Laser scans showing stratification effects at 1-g have been studied for different materials, aluminum, glass, and copper. PTV/PIV and a leak hole sampling rig give particle velocity distribution with particle slip velocity evaluated using LDA. Sample quenching and ignition energy curves are given for aluminum powder. Testing is planned for the KC-135 and NASA s two second drop tower. Only 1-g ground-based data have been reported to date.

Colver, Gerald M.↗

Using Dust from Asteroids as Regolith Microsamples

Meteorite science is rich with compositional indicators by which we classify parent bodies, but few sample groups are definitively linked with asteroid spectra. More robust links need to be forged between meteorites and their parent bodies to understand the composition, diversity and distribution. A major link can be sample analysis of the parent body material and comparison with meteorite data. Hayabusa, the first sample return mission of the Japanese Aerospace Exploration Agency (JAXA), was developed to rendezvous with and collect samples from asteroid Itokawa and return them to Earth. Thousands of sub-100 micron particles were recovered, apparently introduced during the spacecraft impact into the surface of the asteroid, linking the asteroid Itokawa to LL chondrites [1]. Upcoming missions Hayabusa 2 and OSIRIS-REx will collect more significant sample masses from asteroids. In all these cases, the samples are or will be a collection of regolith particles. Sample return to earth is not the only method for regolith particle analysis. Dust is present around all airless bodies, generated by micrometeorite impact into their airless surfaces, which in turn lofts regolith particles into a "cloud" around the body. The composition, flux, and size-frequency distribution of dust particles can provide significant insight into the geological evolution of airless bodies [2]. For example, the Cassini Cosmic Dust Analyzer (CDA) detected salts in Enceladus' icy plume material, providing evidence for a subsurface ocean in contact with a silicate seafloor [3]. Similar instruments have flown on the Rosetta, LADEE, and Stardust missions. Such an instrument may be of great use in obtaining the elemental, isotopic and mineralogical composition measurement of dust particles originating from asteroids without returning the samples to terrestrial laboratories. We investigated the ability of a limited sample analysis capability using a dust instrument to forge links between asteroid regolith particles and known meteorite groups. We further set limits on the number of individual particles statistically needed to robustly reproduce a bulk composition.

microsamples↗

On Efficient Multigrid Methods for Materials Processing Flows with Small Particles

Multiscale modeling of materials requires simulations of multiple levels of structural hierarchy. The computational efficiency of numerical methods becomes a critical factor for simulating large physical systems with highly desperate length scales. Multigrid methods are known for their superior efficiency in representing/resolving different levels of physical details. The efficiency is achieved by employing interactively different discretizations on different scales (grids). To assist optimization of manufacturing conditions for materials processing with numerous particles (e.g., dispersion of particles, controlling flow viscosity and clusters), a new multigrid algorithm has been developed for a case of multiscale modeling of flows with small particles that have various length scales. The optimal efficiency of the algorithm is crucial for accurate predictions of the effect of processing conditions (e.g., pressure and velocity gradients) on the local flow fields that control the formation of various microstructures or clusters.

Thomas, James↗

A Cartesian-diffusion Langevin method for hybrid kinetic-fluid Coulomb scattering in particle-in-cell plasma simulations

A novel, drag-diffusion Langevin method of hybrid, kinetic-fluid Coulomb scattering in plasmas is presented. Unlike previous methods, the frictional drag is always applied in the simulation frame of reference. The velocity-space diffusion is performed in the stationary-fluid frame of reference when anisotropic, and in the laboratory frame when isotropic. While the general method is mass-ratio independent, we focus on interactions of kinetic-ions and fluid-electrons to show first-order modifications to the electron velocity distribution function that are an important correction for the accurate calculation of electric resistivity. Inclusion of sub-cycling and a limit to the maximum collision frequency is shown to allow for arbitrarily large timesteps without numerical failure. Here the Langevin method is compared with a grid-based binary method and found to require a much less restrictive timestep in cases of ion–electron slowing and temperature equilibration; this finding differs from previous work and is dependent on the mass ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Determining Sizes of Particles in a Flow from DPIV Data

A proposed method of measuring the size of particles entrained in a flow of a liquid or gas would involve utilization of data from digital particle-image velocimetry (DPIV) of the flow. That is to say, with proper design and operation of a DPIV system, the DPIV data could be processed according to the proposed method to obtain particle sizes in addition to particle velocities. As an additional benefit, one could then compute the mass flux of the entrained particles from the particle sizes and velocities. As in DPIV as practiced heretofore, a pulsed laser beam would be formed into a thin sheet to illuminate a plane of interest in a flow field and the illuminated plane would be observed by means of a charge-coupled device (CCD) camera aimed along a line perpendicular to the illuminated plane. Unlike in DPIV as practiced heretofore, care would be taken to polarize the laser beam so that its electric field would lie in the illuminated plane, for the reason explained in the next paragraph. The proposed method applies, more specifically, to transparent or semitransparent spherical particles that have an index of refraction different from that of the fluid in which they are entrained. The method is based on the established Mie theory, which describes the scattering of light by diffraction, refraction, and specular reflection of light by such particles. In the case of a particle illuminated by polarized light and observed in the arrangement described in the preceding paragraph, the Mie theory shows that the image of the particle on the focal plane of the CCD camera includes two glare spots: one attributable to light reflected toward the camera and one attributable to light refracted toward the camera. The distance between the glare spots is a known function of the size of the particle, the indices of refraction of the particle material, and design parameters of the camera optics. Hence, the size of a particle can be determined from the distance between the glare spots. The proposed method would be implemented in an algorithm that would automatically identify, and measure the distance between, the glare spots for each particle for which a suitable image has been captured in a DPIV image frame. The algorithm (see figure) would begin with thresholding of data from the entire image frame to reduce noise, thereby facilitating discrimination of particle images from the background and aiding in the separation of overlapping particles. It is important not to pick a threshold level so high that the light intensity between a given pair of glare spots does not fall below the threshold value, leaving the glare spots disconnected. The image would then be scanned in a sequence of rows and columns of pixels to identify groups of adjacent pixels that contain nonzero brightnesses and that are surrounded by pixels of zero brightness. Each such group would be assumed to constitute the image of one particle. Each such group would be further analyzed to determine whether the image was saturated; saturated particle images must be rejected because the locations of glare spots in saturated images cannot accurately be determined. Within each unsaturated particle image, the centroids (deemed to be the locations) of the glare spots would be determined by means of gradients of brightness distributions and three-point horizontal and three-point vertical Gaussian estimates based on the brightness values of the brightest pixels and the pixels adjacent to them. If the brightness of a given particle image contained only one peak, then it would be assumed that a second glare spot did not exist and that image would be rejected.

Wernet, M. P.↗

Synchrotron emissivity from mildly relativistic particles

A simple approximate method for the evaluation of the spectrum and directivity of the synchrotron radiation from an ensemble of particles in a given magnetic field is considered, taking into account the results of this method for the total emissivity at high harmonics. The general formula is presented along with the details of the derivation of the emissivity for an arbitrary energy spectrum and pitch angle distribution of particles. The emissivities for some commonly encountered particle distributions are provided and some empirical formulae valid for a large range of the parameters are given. The results from the analytic expressions are compared with those obtained by detailed numerical calculations. For isotropic pitch angle distributions, spectra from the simple analytic expressions agree with the numerical results to a high degree of accuracy even at lower harmonics.

Petrosian, V.↗

Detector for Particle Surface Contamination

A system and method for detecting and quantizing particle fallout contamination particles which are collected on a transparent disk or other surface employs an optical detector, such as a CCD camera, to obtain images of the disk and a computer for analyzing the images. From the images, the computer detects, counts and sizes particles collected on the disk The computer also determines, through comparison to previously analyzed images, the particle fallout rate, and generates an alarm or other indication if the rate exceeds a maximum allowable value. The detector and disk are disposed in a housing having an aperture formed therein for defining the area on the surface of the disk which is exposed to the particle fallout. A light source is provided for evenly illuminating the disk. A first drive motor slowly rotates the disk to increase the amount of its surface area which is exposed through the aperture to the particle fallout. A second motor is also provided for incrementally scanning the disk in a radial direction back and forth over the camera so that the camera eventually obtains images of the entire surface of the disk which is exposed to the particle fallout.

Mogan, Paul A.↗

Automated Particle Analysis of Hanford Tank Wastes 241-AN-106, 241-AN-101, and 241-AW-105

This effort is involved in developing particle size and density distribution (PSDD) for the major phases within Hanford tank waste sludge. The object of this work has been to use automated particle analysis (APA) methods on the Scanning Electron Microscope (SEM) to provide PSDDs. The PSDD can be used to quantify the proportion of gibbsite particles likely to settle quickly and enable blending of wastes that may be prone to pipeline plugging such as the uranium phase, clarkeite with other wastes. The Hanford tank waste solids were analyzed with SEM combined with x-ray Energy Dispersive Spectroscopy (EDS) using APA. This method can allow thousands of individual particles to be characterized and so may provide a more representative view of the samples and information PSDDs. We characterized several as-received sludge samples and developed PSDD with APA. Sample preparation methods were found to impact the collected results, as it was more difficult to collect representative samples of the larger particles. Much of the material was also dried and cemented together that further impacted results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗