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At least 1,387 records · Page 77

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NASA NTRS1996

Theoretical model of HZE particle fragmentation by hydrogen targets

The fragmenting of high energy, heavy ions (HZE particles) by hydrogen targets is an important, physical process in several areas of space radiation research. In this work quantum mechanical optical model methods for estimating cross sections for HZE particle fragmentation by hydrogen targets are presented. The cross sections are calculated using a modified abrasion-ablation collision formalism adapted from a nucleus-nucleus collision model. Elemental and isotopic production cross sections are estimated and compared with reported measurements for the breakup of neon, sulphur, and iron, nuclei at incident energies between 400 and 910 Mev/nucleon. Good agreement between theory and experiment is obtained.

Townsend, L.W.↗

DOE OSTI2025

New charged-particle transport computational capability: the SIT code An L-4 milestone

We have developed a new high-fidelity code for direct transport of charged particles using the simple integral transport method. The code can be coupled to the outputs of any hydrodynamical simulation code in 1-D, 2-D or 3-D. In this report we summarize the formalism involved in treating complex transport problems. We present physical examples wherein we have used the code to calculate the transport of alpha particles. Future work is planned to study the sensitivity of hydrodynamical mix to charged-particle radiochemistry and reaction-in-flight neutrons for the complex inertial confinement fusion problems encountered at NIF and at the Z-machine.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1980

Scattering by non-spherical particles of size comparable to a wavelength - A new semi-empirical theory

An approximate method is proposed for evaluating the interaction of randomly oriented, nonspherical particles with the total intensity component of electromagnetic radiation. When the particle size parameter, x, the ratio of particle circumference to wavelength, is less than some upper bound x(o) (about 5), Mie theory is used. For x greater than x(o), the interaction is divided into three components: diffraction, external reflection, and transmission. Physical optics theory is used to obtain the first of these components; geometrical optics theory is applied to the second; and a simple parameterization is employed for the third. The predictions of this theory are found to be in very good agreement with laboratory measurements for a wide variety of particle shapes, sizes, and refractive indexes. Limitations of the theory are also noted.

Pollack, J. B.↗

DOE OSTI2021

Powder spreading, densification, and part deformation in binder jetting additive manufacturing

Binder jetting additive manufacturing (AM) can print complex structures in economical and scalable manner. Binder jetting AM comprises of deposition and weak binding of particles, known as green part, at room temperature and subsequent binder removal and sintering densification at high temperatures. However, during the densification (i.e., sintering), the part significantly deforms due to volume shrinkage. The deformation during sintering is difficult to predict, which prevents the widespread application of this technology. In this research, powder spreading simulation using discrete element method (DEM) was performed first to capture local variations in powder bed configuration. Second, finite element method (FEM) with a phenomenological continuum constitutive model was used to predict part shrinkage during the sintering process. DEM simulation showed variations in packing density, particle segregation, formation of uneven powder bed surface, and shift in particle size distribution (PSD). The sintering simulation modeled part deformation with a reasonable accuracy of 3% for solid-state sintering and intermediate liquid phase sintering. A demonstration case with non-uniform initial packing density showed that inhomogeneous green part density and PSD should be accounted for prediction of part deformation in binder jetting AM.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Programmable Anisotropy and Percolation in Supramolecular Patchy Particle Gels

Patchy particle interactions are predicted to facilitate the controlled self-assembly and arrest of particles into phase-stable and morphologically tunable "equilibrium" gels, which avoids the arrested phase separation and subsequent aging that is typically observed in traditional particle gels with isotropic interactions. Despite these promising traits of patchy particle interactions, such tunable equilibrium gels have yet to be realized in the laboratory due to experimental limitations associated with synthesizing patchy particles in high yield. Here, we introduce a supramolecular metal-coordination platform consisting of metallic nanoparticles linked by telechelic polymer chains, which validates the predictions associated with patchy particle interactions and facilitates the design of equilibrium particle hydrogels through limited valency interactions. We demonstrate that the interaction valency and self-assembly of the particles can be effectively controlled by adjusting the relative concentration of polymeric linkers to nanoparticles, which enables the gelation of patchy particle hydrogels with programmable local anisotropy, morphology, and low mechanical percolation thresholds. Moreover, by crowding the local environment around the patchy particles with competing interactions, we introduce an independent method to control the self-assembly of the nanoparticles, thereby enabling the design of highly anisotropic particle hydrogels with substantially reduced percolation thresholds. We thus establish a canonical platform that facilitates multifaceted control of the self-assembly of the patchy nanoparticles en route to the design of patchy particle gels with tunable valencies, morphologies, and percolation thresholds. These advances lay important foundations for further fundamental studies of patchy particle systems and for designing tunable gel materials that address a wide range of engineering applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Surface Functionalized Barium Titanate Nanoparticles: A Combined Experimental and Computational Study

Barium titanate (BTO) nanoparticles show great potential for use in electrostatic capacitors with high energy density. This includes both polymer composite and sintered capacitors. However, questions about the nanoparticles' size distribution, amount of agglomeration, and surface ligand effect on performance properties remain. Reducing particle agglomeration is a crucial step to understanding the properties of nanoscale particles, as agglomeration has significant effects on the composite dielectric constant. BTO surface functionalization using phosphonic acids is known reduce BTO nanoparticle agglomeration. We explore solution synthesized 10 nm BTO particles with tert-butylphosphonic acid ligands. Recent methods to quantifying agglomeration using an epoxy matrix before imaging shows that tert-butylphosphonic acid ligands reduce BTO agglomeration by 33%. Thermometric, spectroscopic, and computational methods provide confirmation of ligand binding and provide evidence of multiple ligand binding modes on the BTO particle surface.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Seeing the whole picture: Methods for getting the most from micro X-ray computed tomography of TRISO nuclear fuel particles

Tristructural isotropic (TRISO) coated fuel particles are a nuclear fuel form under extensive study for use in advanced nuclear reactor concepts. TRISO fuels are subjected to high temperature neutron irradiations and then examined to assess their performance by determining fission product retention and studying morphological changes. Micro X-ray computed tomography is one method of nondestructively studying the effects of TRISO performance. This work addresses the need for image processing to remove X-ray tomographic reconstruction artifacts that prevent the study of TRISO features, as the TRISO particles’ high Z kernel can introduce metal artifacts that degrade the image quality in the surrounding low Z coating layers. These metal artifacts were reduced by imaging the TRISO particles with both high- and low-energy X-rays and applying a mask to the radiographs obtained with low-energy X-rays to digitally remove the dense fuel kernel region. These masked radiographs were then used to produce a tomographic reconstruction which was combined with the tomographic reconstruction of the high-energy data. This enabled the relatively-low-density TRISO buffer layer to be examined in more detail, providing information on irradiation induced dimensional changes of the coatings. This methodology, which helps see the full picture of a TRISO particle, is not limited to nuclear fuels but can be applied to systems that contain highly attenuating material surrounded by less dense materials.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1989

Rapid fitting of particle cascade development data from X-ray film densitometry measurements

A semiautomatic method of fitting transition curves to X-ray film optical density measurements of electromagnetic particle cascades is described. Several hundred singly and multiple interacting cosmic ray events from the JACEE 8 balloon flights were analyzed using this procedure. In addition to greatly increased speed compared to the previous manual method, the semiautomatic method offers increased accuracy through maximum likelihood fitting.

Roberts, E.↗

DOE OSTI2020

Liquid-phase turbulence measurements in air-water two-phase flows using particle image velocimetry

Liquid-phase turbulence plays a vital role in determining various gas-liquid two-phase flow parameters, such as void fraction distribution, bubble morphology, bubble-bubble interactions, and interfacial area concentration. In this study, a two-phase flow database including both the gas- and liquid-phases measurements was developed focusing on three bubbly flow conditions in an air-water two-phase flow loop with a vertical one-inch diameter circular pipe test section. A particle image velocimetry (PIV) system integrating an optical phase separation method, i.e., the planar laser-induced fluorescence (PLIF) technique using fluorescent particles and optical filtration, was applied to measure the liquid-phase turbulence information, including the time-averaged velocity, Reynolds stress, and turbulent kinetic energy for the liquid phase. The PIV measurements were taken at three ports along the test section at 14.5, 51.5, and 88.5 pipe inner diameters downstream of a bubble injector. In addition, a double-sensor conductivity probe was used to measure radial distributions of the local time-averaged void fraction and gas velocity. The measured liquid-phase turbulence was used to benchmark Sato's turbulence model considering the bubble-induced shear stress for the three tested bubbly flows. The benchmark results showed good agreement between the PIV measurements and model predictions. Lastly, in the two bubbly flows tested that have low void fractions being less than 3%, the effect of the bubble-induced turbulence was found not significant. However, the bubble-induced shear stress becomes important with the increase of the void fraction.

42 ENGINEERING↗

DOE OSTI2022

Ultracold neutron storage simulation using the Kassiopeia software package

The Kassiopeia software package was originally developed to simulate electromagnetic fields and charged particle trajectories for neutrino mass measurement experiments. Recent additions to Kassiopeia also allow it to simulate neutral particle trajectories in magnetic fields based on their magnetic moments. Two different methods were implemented: an exact method that can work for arbitrary fields and an adiabatic method that is limited to slowly-varying fields but is much faster for large precession frequencies. Additional interactions to simulate reflection of ultracold neutrons (UCNs) from material walls and to allow spin–flip pulses were also added. These tools were used to simulate neutron precession in a room temperature neutron electric dipole moment experiment and predict the values of the longitudinal and transverse relaxation times as well as the trapping lifetime. All three parameters are found to closely match the experimentally determined values when simulated with both the exact and adiabatic methods, confirming that Kassiopeia is able to accurately simulate neutral particles. This opens the door for future uses of Kassiopeia to prototype the next generation of atomic traps and UCN experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2023

Oxidation of Silicon Particles Suspended in Mullite Matrix With Dual-Mode Vacancy Diffusion of Oxygen

Mullite bond coats filled with silicon particles have recently been proposed for the next generation of environmental barrier coatings (EBCs). The sacrificial oxidation of the silicon particles eliminates some of the environmental durability issues associated with traditional EBC designs. To investigate this novel design approach, a mathematical formulation and resulting numerical method have been developed for simulating the oxidation of silicon particles embedded in a mullite matrix. The focus is on the oxidation of the silicon in a dry oxygen environment where the oxidant is presumably oxygen. Oxygen transport from the exterior environment through the mullite is assumed to occur via two lattice defect diffusion mechanisms. As a result, the rate of oxygen transport is dictated by the self-diffusivity of the lattice defects. The numerical method is implemented using the COMSOL Multiphysics® program (COMSOL, Inc.). The method is applied to simulate the oxidation of silicon particles in a mullite pellet in recent oxidation experiments. Numerical results compare favorably with the oxidation behavior observed in the oxidation experiments. The numerical method is also used to investigate the effects of various features of the mullite-silicon particle system on the oxidation behavior.

silicon oxidation↗

DOE OSTI2022

Hybrid-gyrokinetic simulations of low- n toroidal Alfvén eigenmodes using gKPSP

Here, we report a benchmark study of toroidal Alfvén eigenmode (TAE) simulation using the hybrid-gyrokinetic code GyroKinetic Plasma Simulation Program (gKPSP). A simulation capability for energetic particles based on the gyrokinetic δf method has been newly implemented in the gKPSP code. Benchmark simulations have been performed in both circular and realistic tokamak geometries. Good agreement has been found with previously reported results, demonstrating the new capability of the gKPSP code. We have investigated the effects of the distribution function on TAE stability by examining both isotropic and anisotropic slowing-down distributions of energetic particles. The slowing-down distribution produces a higher linear growth rate than a Maxwellian distribution, while a growth rate scan with the anisotropy shows an opposite trend. This can be attributed to competition between Landau damping and the linear drive, which are correlated with the fraction of resonant passing particles and their distribution in phase space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Spatially Aware Linear Transformer (SAL-T) for Particle Jet Tagging

Transformers are very effective in capturing both global and local correlations within high-energy particle collisions, but they present deployment challenges in high-data-throughput environments, such as the CERN LHC. The quadratic complexity of transformer models demands substantial resources and increases latency during inference. In order to address these issues, we introduce the Spatially Aware Linear Transformer (SAL-T), a physics-inspired enhancement of the linformer architecture that maintains linear attention. Our method incorporates spatially aware partitioning of particles based on kinematic features, thereby computing attention between regions of physical significance. Additionally, we employ convolutional layers to capture local correlations, informed by insights from jet physics. In addition to outperforming the standard linformer in jet classification tasks, SAL-T also achieves classification results comparable to full-attention transformers, while using considerably fewer resources with lower latency during inference. Experiments on a generic point cloud classification dataset (ModelNet10) further confirm this trend. Our code is available at https://github.com/aaronw5/SAL-T4HEP.

Wang, Aaron [Illinois U., Chicago] (ORCID:00000003↗

NASA NTRS1986

Kinetic theory based new upwind methods for inviscid compressible flows

Two new upwind methods called the Kinetic Numerical Method (KNM) and the Kinetic Flux Vector Splitting (KFVS) method for the solution of the Euler equations have been presented. Both of these methods can be regarded as some suitable moments of an upwind scheme for the solution of the Boltzmann equation provided the distribution function is Maxwellian. This moment-method strategy leads to a unification of the Riemann approach and the pseudo-particle approach used earlier in the development of upwind methods for the Euler equations. A very important aspect of the moment-method strategy is that the new upwind methods satisfy the entropy condition because of the Boltzmann H-Theorem and suggest a possible way of extending the Total Variation Diminishing (TVD) principle within the framework of the H-Theorem. The ability of these methods in obtaining accurate wiggle-free solution is demonstrated by applying them to two test problems.

Deshpande, S. M.↗

DOE OSTI2022

Solar receivers and methods for capturing solar energy

Thermal receivers, systems, and methods are disclosed that efficiently capture concentrated solar energy into a plurality of heat absorption bodies for conversion into thermal energy. In an embodiment, the thermal receivers, systems, and methods enable simultaneous electricity conversion and thermal energy capture. The receiver design enables a high penetration of concentrated sunlight deep into the thermal receiver to increase light trapping and reduce thermal losses. The thermal receiver is integrated with a photovoltaic (PV) receiver platform that converts some of the incident light to electricity while passing the remaining light to the thermal receiver. In another embodiment, other thermal receivers, systems, and methods are disclosed that efficiently capture concentrated solar energy into a sheet of falling particles. In an embodiment, the thermal receivers, systems, and methods enable simultaneous electricity conversion and thermal energy capture.

Ho, Clifford K.↗

DOE OSTI2025

Impacts of Biomass Feedstock Pre-Processing on Heat and Mass Transfer During Pyrolysis Using X-Ray Computed Tomography and Multiscale Modeling

Knowledge of the transport properties of biomass particles such as porosity, tortuosity, and permeability is paramount for high-fidelity modeling of biomass pyrolysis due to the heat and mass transfer limitations imposed by particle microstructure. X-ray computed tomography (XCT) is a non-destructive imaging method that enables full 3D reconstructions of the biomass particle microstructure with high resolution, permitting direct calculation of porosity, tortuosity, and permeability from real particle geometries. In this study, XCT imaging revealed the 3D microstructures of particles and chars from pyrolytic conversion of cylindrically cut or milled/pelletized loblolly pine samples. The porosity, tortuosity, and permeability were calculated directly from the XCT geometries via open-source microstructural analysis tool MATBOX+TauFactor (https://github.com/NREL/MATBOX_Microstructure_analysis_toolbox) and computational fluid dynamics (CFD) simulations using our solver, Mesoflow (https://github.com/NREL/mesoflow). These properties were used in a reactor scale model developed in COMSOL of the single particle reactor at NREL to investigate the impact of feedstock pre-processing on biomass conversion during pyrolysis with rigorous experimental validation.

biomass↗

NASA NTRS1976

The partially averaged field approach to cosmic ray diffusion

The kinetic equation for particles interacting with turbulent fluctuations is derived by a new nonlinear technique which successfully corrects the difficulties associated with quasilinear theory. In this new method the effects of the fluctuations are evaluated along particle orbits which themselves include the effects of a statistically averaged subset of the possible configurations of the turbulence. The new method is illustrated by calculating the pitch angle diffusion coefficient D sub Mu Mu for particles interacting with slab model magnetic turbulence, i.e., magnetic fluctuations linearly polarized transverse to a mean magnetic field. Results are compared with those of quasilinear theory and also with those of Monte Carlo calculations. The major effect of the nonlinear treatment in this illustration is the determination of D sub Mu Mu in the vicinity of 90 deg pitch angles where quasilinear theory breaks down. The spatial diffusion coefficient parallel to a mean magnetic field is evaluated using D sub Mu Mu as calculated by this technique. It is argued that the partially averaged field method is not limited to small amplitude fluctuating fields and is hence not a perturbation theory.

Jones, F. C.↗

NASA NTRS1990

Modeling the dust size distribution in comets with dust fragmentation

A hydrodynamic model was developed of a spherically symmetric dusty gas flow in a cometary atmosphere assuming a single fluid, inviscid, perfect gas. The hydrodynamics for gas and dust, which involves the gas drag force (momentum transfer), heat exchange between gas and dust, photodissociation energy for H2O gas, and radiative heating and cooling terms for dust particles, are solved using the Gear method for stiff, coupled differential equations. Calculations were done with a dust size distribution for radii alpha = 0.01 micron to 10 cm with densities variable with the size. A nucleus size of 4.0 km radius with a density of 0.5 g/cu cm and a total dust-to-gas mass ratio chi = 1 was adopted. There are indications from in situ observations that dust particle fragment into smaller ones. Fragmentation of dust particles was incorporated into the model. This is done by adding source and sink terms in the continuity equations for the dust. Lifetimes for the decay of dust particles were assumed as a function of particle size. It is also assumed that dust particles always fragment only into the next smaller size.

Konno, Ichishiro↗