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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Fracture mechanics approach to TRISO fuel particle failure analysis

Weibull stress-based methods for failure probability assessment have been developed and analyzed to assess the integrity of tristructural isotropic (TRISO) fuel particles during fuel life cycles and accident operating conditions. While simple, these methods entail a number of drawbacks when stress concentrates near crack tips, including finite element mesh size dependency when the Weibull stress is averaged over the finite element domain. Fracture mechanics approaches involving the use of interaction integrals eliminate this lack of mesh convergence and produce consistent fracture predictions. In this work, we use an interaction integral approach to computing stress intensity factors for a crack in the inner pyrolytic carbon layer perpendicular to the silicon carbide layer, which is simplified representation of a failure mode in TRISO particles. Further, the interface between these two TRISO layers has been shown to become porous, which we simulate by considering a transition of mechanical properties over such porous length, i.e. the layers are modeled as a functionally graded material. Aspects such as porosity and thermal and irradiation eigenstrains are considered in computing the stress intensity factor from a fracture mechanics approach and compared with the known Weibull stress failure approach. The methodology introduced in this paper enables a more general fracture probability assessment in TRISO particles and eliminates the need to identify best suited parameters when using local or averaged stress-based failure criterion. Finally, the numerical sensitivity studies show how parameters such as the porous transition zone length, the material stiffness, and creep affect the probability of TRISO fuel particle failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Baryon preclustering at the freeze-out of heavy-ion collisions and light-nuclei production

Following the idea of nucleon clustering and light-nuclei production in relativistic heavy-ion collisions close to the QCD critical-end point, we address the quantum effects affecting the interaction of several nucleons at finite temperature. For this aim we use the $\textit{K}$-harmonics method to four-nucleon states (α particle), and also develop a novel semiclassical “flucton” method at finite temperature, based on certain classical paths in Euclidean time, and apply it to two- and four-particle configurations. To study possible effects on the light-nuclei production close to the QCD critical point, we also made such calculations with modified internuclear potentials. For heavy-ion experiments, we propose new measurements of light-nuclei multiplicity ratios which may show enhancements due to baryon preclustering. Further, we point out the special role of the $\mathcal{O}$(50) four-nucleon excitations of α -particle, feeding into the final multiplicities of $\textit{d, t,}$ 3 He, and 4 He, and propose to directly look for their two-body decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Fast and sensitive measurements of sub-3 nm particles using Condensation Particle Counters For Atmospheric Rapid Measurements (CPC FARM)

New particle formation (NPF) is the atmospheric process whereby gas molecules react and nucleate to form detectable particles. NPF has a strong impact on Earth's radiative balance as it produces roughly half of global cloud condensation nuclei. However, the time resolution and sensitivity of current instrumentation are inadequate in measuring the size distribution of sub-3 nm particles, the particles critical for understanding NPF. Here we present the Condensation Particle Counters For Atmospheric Rapid Measurements (CPC FARM), a method to measure the concentrations of freshly nucleated particles. The CPC FARM consists of five CPCs operating in parallel, each configured to operate at different detectable particle sizes between 1–3 nm. This study explores two methods to calculate the size distribution from the differential measurements across the CPC channels. The performance of both inversion methods was tested against the size distribution measured by a pair of stepping particle mobility sizers (SMPSs) during an ambient air sampling study in Pittsburgh, PA. Observational results indicate that the CPC FARM is more accurate with higher time resolution and sensitivity in the sub-3 nm range compared to the SMPS.

Cheng, Darren [Carnegie Mellon Univ., Pittsburgh, ↗
DOE OSTI2023

Effects of Size and Shape on the Tolerances for Misalignment and Probabilities for Successful Oriented Attachment of Nanoparticles

Oriented attachment (OA) of nanoparticles is an important pathway of crystal growth, but tools for quantitatively modeling OA are lacking. Here we present several simple models that relate the probability of achieving OA to basic geometric parameters such as particle size, shape, and lattice periodicity. A Moiré-domain model is applied to understand twist-misorientations between parallel surfaces, and it predicts that the range of twist angles yielding perfect OA is inversely related to the width of the contact area. This is confirmed and further developed using a surface functional model, which predicts how crystallographic registration forces drive the emergence of complex orientational energy landscapes. The energy landscapes are predicted to possess local minima that can trap particles in imperfect alignments, and these local minima become deeper and more numerous as the contact area increases, making OA more challenging for large particles. Further, a second set of models is presented to understand the sequence of events by which two crystallographic faces become co-planer after collision. We use a ‘central force approximation’ to quantitatively predict the odds of attaining coalignment between various faces when particles collide with random misalignments, and we show that in the absence of biasing forces, the probability of attaining alignment on a given face is roughly proportional to its solid angle as viewed from the center of the particle. The model predicts that OA is most favorable between well-faceted particles and becomes exceedingly unlikely for large spherical particles that express many microfacets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Reconstruction of Six-Dimensional Phase Space

A phase space is a mathematical representation of all possible physical states of a system. Particle beams at Fermilab exist within a six-dimensional (6D) phase space defined by three positional components, (x, y, z) and three momentum components, (px, py, pz). To reconstruct this space implies taking measurement data from detectors and mapping out particle behavior using computational methods. The beam detectors, however, are only able to detect spatial distribution among the events of the beam, therefore being limited to positional data. Also, due to the vast number of events in a particle beam, it is extremely difficult to analyze and differentiate every single one’s behavior. However, with Machine Learning (ML), which can distinguish between patterns and map out particle behavior more efficiently. We first used the particle beam software, G4beamline, to simulate a 10,000-event muon beam, adjusting parameters such as initial momentum magnitude (p¬0) and virtual detector position. Using ten virtual detectors, we analyzed p0 values such that minimum 9,990 events were analyzed by every detector. We then input the data from these beam simulations to a C++ program, that randomly selects 100 events, and creates a 2D histogram based on spatial distribution, detector position, and event intensity. This process is repeated 100 times to create 100 histograms per p0 value. These images were then input to a modified ResNet18 Convolutional Neural Network (CNN) for training, and to predict p0 from some unseen set of histograms. The model was accurate when trained on momentum increments of 5 MeV/c and provided with denser training samples around highly variable test values. These results displayed machine learning being able to accurately predict p0 from being trained on different particle behaviors.

Shirlee, Jermain [Fermilab]↗
DOE OSTI2025

High Gradient Magnetic Simulation Final Report 2025

Over the course of nearly 2 years, the goal of this project has been to identify methods for the separation of uranium oxide particles from other geologic materials. The primary motivation is to assess methods for enhancing the extraction and throughput of actinide particles from environmental samples, enabling the evaluation of these trace actinides through more traditional methods such as thermal ionization mass spectrometry or secondary ion mass spectrometry.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Simulation of Mechanical Fractionation of Chopped Whole-Plant Corn (WPC) Using Discrete Element Method (DEM)

Fractionating whole-plant corn (WPC) in a single-pass harvesting system requires studies on the WPC-to-equipment interaction for improved property control, as well as mechanical and air-driven separation processes compared to the traditional multi-pass grain and stover harvesting system. The discrete element method (DEM) technique has the potential to simulate WPC mechanical fractionation and support simulation-based design of WPC separation processes. In this study, methods to develop DEM particle models of WPC (kernel, cob, stalk, and husk) and their material properties for simulating mass fractionation using the ASABE standard mechanical shaker were proposed. Measurement was done on the axial dimensions (major, intermediate, and minor) and mass of each WPC type (mean sample size is 56), sampled from single-pass harvesting. Applying gaussian multivariate regression and bootstrapping re-sampling techniques, a DEM particle approximate to each WPC was developed. Sensitivity analysis of the DEM Young‘s modulus, Poisson‘s ratio, and interaction parameters of coefficient of restitution, coefficient of rolling friction, and coefficient of static friction on mass fraction was performed after 156 ASABE sieve-shaking DEM simulation runs, generated using Latin Hypercube Design (LHD) design of experiment (DOE) from 19 DEM material parameters. DEM simulation using Hertz-Mindlin with flexible bond contact laws and DOE optimized material properties successfully reproduced the mass fractions retained in ASABE sieves at 9.8% mean relative error and a coefficient of determination of R2 = 0.87. Here, the DEM methodology developed for mechanical WPC mass fractionation could be deployed to perform virtual design of feedstock handling equipment and performance analysis of mechanical fraction systems.

09 BIOMASS FUELS↗
NASA NTRS2019

Electromagnetic Scattering by Discrete Random Media. IV: Coherent Backscattering

The problem of backscattering of light by a discrete random medium illuminated by an obliquely incident plane electromagnetic wave is considered.The analysis is performed in a linear-polarization basis and includes a complete derivation of the cross reflection matrix for a layer with densely and sparsely distributed particles, the design of an approximate method for computing the ladder and cross reflection matrices in the case of a semi-infinite medium with a sparse distribution of particles, the derivation of the relations between the elements of the ladder and cross reflection matrices in the exact backscattering direction for dense and sparse media, and the development of practical algorithms for solving the underlying integral equations by the method of Picard iterations and the discrete ordinate method. Simulation results for particles with large size parameters are also presented.

Adrian Doicu↗
DOE OSTI2025

Stirring and peristaltic pumping alter flow electrode particle size and morphology

Flowable carbon-based electrodes are widely studied in electrochemical systems for energy storage and water treatment. Most laboratory- and pilot-scale studies employ active mixing for slurry preparation and handling and use peristaltic pumps for slurry circulation. Magnetic stirring is the most prevalent mixing method at the laboratory scale, and the combination of magnetic mixing and peristaltic pumping is favored for convenience and compatibility with particulate suspensions. However, these methods can strongly affect particle size and morphology (and therefore cell performance). In this study, we evaluate how mixing and pumping influence particle degradation in two commonly used carbon materials: spherical carbon black (CB) beads and powdered activated carbon (AC). We performed 24 h stirring-only experiments using magnetic, orbital, and overhead stirring. Separately, we conducted 32 h circulation experiments using a commercial peristaltic pump. Particle morphology and size were analyzed using optical microscopy and laser diffraction. The initially spherical CB beads (~580 μm, 1.5 wt%) exhibit rapid and extensive breakdown under both peristaltic pumping and magnetic stirring. By comparison, AC particles (initially ~31 μm) tested at 1.5 and 15 wt% showed measurable size reductions of up to ~25 % under either stirring or pumping. In conclusion, these findings highlight the need to account for and quantify morphological changes caused by both stirring and pumping in the design and associated evaluation of flowable electrode systems.

Chemistry↗
DOE OSTI2022

Simulation of Plasma Emission in Magnetized Plasmas

The recent Parker Solar Probe observations of type III radio bursts show that the effects of the finite background magnetic field can be an important factor in the interpretation of data. In the present paper, the effects of the background magnetic field on the plasma-emission process, which is believed to be the main emission mechanism for solar coronal and interplanetary type III radio bursts, are investigated by means of the particle-in-cell simulation method. The effects of the ambient magnetic field are systematically surveyed by varying the ratio of plasma frequency to electron gyrofrequency. The present study shows that for a sufficiently strong ambient magnetic field, the wave–particle interaction processes lead to a highly field-aligned longitudinal mode excitation and anisotropic electron velocity distribution function, accompanied by a significantly enhanced plasma emission at the second-harmonic plasma frequency. For such a case, the polarization of the harmonic emission is almost entirely in the sense of extraordinary mode. On the other hand, for moderate strengths of the ambient magnetic field, the interpretation of the simulation result is less clear. The underlying nonlinear-mode coupling processes indicate that to properly understand and interpret the simulation results requires sophisticated analyses involving interactions among magnetized plasma normal modes, including the two transverse modes of the magneto-active plasma, namely, the extraordinary and ordinary modes, as well as electron-cyclotron-whistler, plasma oscillation, and upper-hybrid modes. At present, a nonlinear theory suitable for quantitatively analyzing such complex-mode coupling processes in magnetized plasmas is incomplete, which calls for further theoretical research, but the present simulation results could provide a guide for future theoretical efforts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell

Development of particle-in-cell (PIC) methods using finite element based methods (FEMs) have been a topic of renewed interest; this has largely been driven by (a) the ability of finite element methods to better model geometry, (b) better understanding of function spaces that are necessary to represent all Maxwell quantities, and (c) more recently, the fundamental rubrics that should be obeyed in space and time so as to satisfy Gauss' laws and the equation of continuity. In that vein, methods have been developed recently that satisfy these equations and are agnostic to time stepping methods. While this development is indeed a significant advance, it should be noted that implicit FEM transient solvers support an underlying null space that corresponds to a gradient of a scalar potential ∇Φ(r) (or t∇Φ(r) in the case of wave equation solvers). While explicit schemes do not suffer from this drawback, they are only conditionally stable with time step sizes that are mesh dependent and very small. Furthermore, the null space produces spurious charge that can corrupt the desired physics of a PIC simulation. The way to overcome this bottleneck, and indeed, satisfy all four Maxwell's equation is to use a quasi-Helmholtz formulation on a tessellation. In the re-formulation presented, we strictly satisfy the equation of continuity and Gauss' laws for both the electric and magnetic flux densities. Results illustrating the efficacy of this scheme will be demonstrated by analyzing non-neutral beams with space-charge and the adiabatic expansion of a neutral plasma with realistic parameters (Debye length and real mass ratios).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Non-Gaussian distribution of displacements for Lennard-Jones particles in equilibrium

Most mesoscale simulation methods assume Gaussian distributions of velocity-like quantities. These quantities are not true velocities, however, but rather time-averaged velocities or displacements of particles. Here, we show that there is a large range of coarse-graining scales where the assumption of a Gaussian distribution of these displacements fails, and a more complex distribution is required to adequately express these distribution functions of displacements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

An introduction to the significance of sample size in particle analyses for nuclear forensics and radiological investigations

Particulate isotopic analysis in nuclear forensics has developed rapidly during the past two decades due to technical advances in determining the isotopic composition of individual particles. This paper introduces basic statistical concepts that can be applied by analysts to understand the importance of statistical adequacy when interpretating particle data. While these basic statistical methods provide a useful point-of-entry to particle data analysis, more sophisticated statistical and modeling approaches are needed to extract maximal information from such datasets in the future.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

EPMA-Based Mass Balance Method for Quantitative Fission Product Distribution Comparison between TRISO Particles

Two irradiated AGR-2 TRISO particles were chosen to demonstrate a recently developed mass balance technique in which EPMA-generated concentration data was used to determine fission product mass on a layer-by-layer basis in TRISO particles. EPMA-calculated fission product masses for most fission products in the two particles were within +/- 20% of their ORIGEN-modelled masses. Results show that Sr, Ba, and Eu accumulate preferentially in the carbon-rich kernel periphery on the particles’ side that lacks a gap between the buffer and IPyC. In addition, the more mobile elements--Cs, Sr, and Pd, accumulate in greater quantity in the outer layers of particle AGR2-223-RS34 compared to particle AGR2-223-RS06, which has relatively more of those elements’ mass located in the kernel and kernel periphery, suggesting enhanced fission product transport in particle AGR2-223-RS34. This model can be used better understand and test fission product transport in TRISO particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Quantum Enhanced Tracker

We report the study and development of a novel new charged particle detector, a "Quantum Enhanced Tracker" for 3D imaging of charged particle tracks. The proposed detector relies on, and benefits from, the extremely high sensitivity of atoms, prepared in a specific quantum superposition, to external perturbations. Atoms are prepared in a so-called "dark superposition" state, a passing charged particle will disturb this quantum state, allowing atoms to change polarization of the probe light or absorb probe light and to fluoresce, enabling direct imaging of the particle trajectory with high resolution. This method has similarities with Cherenkov detectors where a charged particle produces light along its track, but with the major advantages of enhanced sensitivity due to the low energy required to perturb the engineered quantum state, the ability to amplify the signal using a drive laser passing through the medium, and the ability to provide a 3D track.

Zhang, Shukui↗