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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Particle acceleration and plasma energization in substorms: MHD and test particle studies

The author organizes his slide presentation under the following topics: background, MHD simulation, orbit integration, typical orbits, spatial and temporal features, acceleration mechanisms, source locations, and source energies. Field-­aligned energetic particle fluxes are shown for 45-keV electrons and 80-keV protons. It is concluded that the onset from local thin current sheet is electron tearing. Acceleration is mainly from field collapse, governed by E y = -v x XB z : importance of localization; betatron acceleration (similar if nonadiabatic); 1st order Fermi, type B (or A; current sheet acceleration). There are two source regions (of comparable importance in magnetotail): - flanks, inner tail - drift entry - early, higher energy - outer plasma sheet - reconnection entry - later, lower energy. Both thermal and suprathermal sources are important, with limited energy range for acceleration

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

The impact of positron range on PET resolution, evaluated with phantoms and PHITS Monte Carlo simulations for conventional and non-conventional radionuclides

The increasing interest and availability of non-standard positron-emitting radionuclides has heightened the relevance of radionuclide choice in the development and optimization of new positron emission tomography (PET) imaging procedures, both in preclinical research and clinical practice. Differences in achievable resolution arising from positron range can largely influence application suitability of each radionuclide, especially in small-ring preclinical PET where system blurring factors due to annihilation photon acollinearity and detector geometry are less significant. Here, some resolution degradation can be mitigated with appropriate range corrections implemented during image reconstruction, the quality of which is contingent on an accurate characterization of positron range.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations

We present the Materials Learning Algorithms (MALA) package, a scalable machine learning framework designed to accelerate density functional theory (DFT) calculations suitable for large-scale atomistic simulations. Using local descriptors of the atomic environment, MALA models efficiently predict key electronic observables, including local density of states, electronic density, density of states, and total energy. The package integrates data sampling, model training and scalable inference into a unified library, while ensuring compatibility with standard DFT and molecular dynamics codes. We demonstrate MALA's capabilities with examples including boron clusters, aluminum across its solid-liquid phase boundary, and predicting the electronic structure of a stacking fault in a large beryllium slab. Scaling analyses reveal MALA's computational efficiency and identify bottlenecks for future optimization. With its ability to model electronic structures at scales far beyond standard DFT, MALA is well suited for modeling complex material systems, making it a versatile tool for advanced materials research.

Density functional theory↗
DOE OSTI2014

Stable long range proton acceleration driven by intense laser pulse with underdense plasmas

Proton acceleration is investigated by 2.5-dimensional particle-in-cell simulations in an interaction of an ultra intense laser with a near-critical-density plasma. It was found that multi acceleration mechanisms contribute together to a 1.67 GeV collimated proton beam generation. The W-BOA (breakout afterburner based on electrons accelerated by a wakefield) acceleration mechanism plays an important role for the proton energy enhancement in the area far from the target. The stable and continuous acceleration maintains for a long distance and period at least several pico-seconds. Furthermore, the energy scalings are also discussed about the target density and the laser intensity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Fingering convection induced by atomic diffusion in stars: 3D numerical computations and applications to stellar models

Iron-rich layers are known to form in the stellar subsurface through a combination of gravitational settling and radiative levitation. Their presence, nature, and detailed structure can affect the excitation process of various stellar pulsation modes and must therefore be modeled carefully in order to better interpret Kepler asteroseismic data. In this paper, we study the interplay between atomic diffusion and fingering convection in A-type stars, as well as its role in the establishment and evolution of iron accumulation layers. To do so, we use a combination of three-dimensional idealized numerical simulations of fingering convection (which neglect radiative transfer and complex opacity effects) and one-dimensional realistic stellar models. Using the three-dimensional simulations, we first validate the mixing prescription for fingering convection recently proposed by Brown et al. (within the scope of the aforementioned approximation) and identify what system parameters (total mass of iron, iron diffusivity, thermal diffusivity, etc.) play a role in the overall evolution of the layer. We then implement the Brown et al. prescription in the Toulouse-Geneva Evolution Code to study the evolution of the iron abundance profile beneath the stellar surface. We find, as first discussed by Théado et al., that when the concurrent settling of helium is ignored, this accumulation rapidly causes an inversion in the mean molecular weight profile, which then drives fingering convection. The latter mixes iron with the surrounding material very efficiently, and the resulting iron layer is very weak. However, taking helium settling into account partially stabilizes the iron profile against fingering convection, and a large iron overabundance can accumulate. The opacity also increases significantly as a result, and in some cases it ultimately triggers dynamical convection. The direct effects of radiative acceleration on the dynamics of fingering convection (especially in the nonlinear regime) remain to be added in the future to improve the quantitative predictions of the model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Coupling of chemical kinetics and thermodynamics for simulations of leaching of cement paste in ammonium nitrate solution

A novel numerical method is proposed in this paper to model the leaching of various types of cement pastes in the ammonium nitrate solution by coupling chemical kinetics with chemical thermodynamics. Arrhenius equation and Eyring equation are applied to predict the rate constant of fast dissolution of portlandite in the ammonium nitrate, and a modified rate law is developed by incorporating the saturation ratio of the reaction. The estimations of leached depths from the proposed method comply with the well-known square root-time relationship and they also agree well with the reported experimental results. Moreover, the evolutions of porosity and major hydrate compositions during leaching are obtained. It is found that a simple linear relation exists for the acceleration factor of leaching in 6 M of ammonium nitrate with respect to leaching in pure water regardless of the type of the cement clinker. - Highlights: • Chemical kinetics and thermodynamics are coupled to simulate the accelerated leaching. • The proposed method generates good estimations for leached depths and changes of porosity. • The proposed method can predict the detailed distributions of all the major cement hydrates. • A simple linear relation exists for predicting the widely scattered acceleration factors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

RF Gap Transformation in PARMILA

The PARMILA (Phase And Radial Motion in Ion Linear Accelerators) code is used to design ion linacs and simulate the beam dynamics therein. The original code was developed in the 1960’s and later the Los Alamos Accelerator Code Group developed a PC version that has been used worldwide. Recently, in an effort to modernize the code and use it as the basis for a high-performance beam dynamics simulator with the LANSCE linac, the details of the code have come under additional scrutiny. PARMILA is a “z code” that uses various transformations to approximately represent the effect of the beam line element on the beam. In the case of the RF gap, it treats the particle dynamics inside the gap as a combination of drift + kick at the mid-plane + drift. Recently, we uncovered an undocumented keyword “off-exact” in PARMILA that enables the code to use the full modified-Bessel functions instead of low-order approximations in the RF gap transformation. This change improved the accuracy of the transformation for off-axis particles. However, a discrepancy between the analytical formula and the code was found for the transformation of the transverse coordinates. The purpose of this tech note is to document the derivation of the gap transformation and the related DTL cell length calculation used in the PARMILA code.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Reconstruction of implanted marker trajectories from cone-beam CT projection images using interdimensional correlation modeling

Purpose: Cone-beam CT (CBCT) is a widely used imaging modality for image-guided radiotherapy. Most vendors provide CBCT systems that are mounted on a linac gantry. Thus, CBCT can be used to estimate the actual 3-dimensional (3D) position of moving respiratory targets in the thoracic/abdominal region using 2D projection images. The authors have developed a method for estimating the 3D trajectory of respiratory-induced target motion from CBCT projection images using interdimensional correlation modeling. Methods: Because the superior–inferior (SI) motion of a target can be easily analyzed on projection images of a gantry-mounted CBCT system, the authors investigated the interdimensional correlation of the SI motion with left–right and anterior–posterior (AP) movements while the gantry is rotating. A simple linear model and a state-augmented model were implemented and applied to the interdimensional correlation analysis, and their performance was compared. The parameters of the interdimensional correlation models were determined by least-square estimation of the 2D error between the actual and estimated projected target position. The method was validated using 160 3D tumor trajectories from 46 thoracic/abdominal cancer patients obtained during CyberKnife treatment. The authors’ simulations assumed two application scenarios: (1) retrospective estimation for the purpose of moving tumor setup used just after volumetric matching with CBCT; and (2) on-the-fly estimation for the purpose of real-time target position estimation during gating or tracking delivery, either for full-rotation volumetric-modulated arc therapy (VMAT) in 60 s or a stationary six-field intensity-modulated radiation therapy (IMRT) with a beam delivery time of 20 s. Results: For the retrospective CBCT simulations, the mean 3D root-mean-square error (RMSE) for all 4893 trajectory segments was 0.41 mm (simple linear model) and 0.35 mm (state-augmented model). In the on-the-fly simulations, prior projections over more than 60° appear to be necessary for reliable estimations. The mean 3D RMSE during beam delivery after the simple linear model had established with a prior 90° projection data was 0.42 mm for VMAT and 0.45 mm for IMRT. Conclusions: The proposed method does not require any internal/external correlation or statistical modeling to estimate the target trajectory and can be used for both retrospective image-guided radiotherapy with CBCT projection images and real-time target position monitoring for respiratory gating or tracking.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Nonthermally Dominated Electron Acceleration during Magnetic Reconnection in a Low-beta Plasma

This work was motivated by electron acceleration during solar flares. After some introductory remarks on proposed particle acceleration mechanisms and questions needing answers, dynamic simulations and simulation results are presented including energy spectra and the formation of the power law distribution. In summary, magnetic reconnection is highly efficient at converting the free magnetic energy stored in a magnetic shear and accelerating electrons to nonthermal energies in low-β regime. The nonthermal electrons have a dominant fraction and form power-law energy spectra with spectral index p ~ 1 in low-β regime. Electrons are preferentially accelerated along the curvature drift direction along the electric field induced by the reconnection outflow. The results can be applied to explain the observations of electron acceleration during solar flares.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Radiation and Polarization Signatures from Magnetic Reconnection in Relativistic Jets. I. A Systematic Study

Blazars are relativistic magnetized plasma outflows from supermassive black holes that point very close to our line of sight. Their emission is nonthermal-dominated and highly variable across the entire electromagnetic spectrum. Relativistic magnetic reconnection has been proposed as the driver of particle acceleration during blazar flares. While recent particle-in-cell (PIC) simulations have self-consistently studied the evolution of magnetic reconnection and particle acceleration therein, the resulting radiation signatures have not been systematically explored. In particular, the polarization signatures, which directly reflect the characteristic strongly dynamical evolution of magnetic field during reconnection, have not been carefully investigated. In this paper, we present a systematic study of radiation and polarization signatures arising from magnetic reconnection in blazars, based on combined PIC and polarized radiation transfer simulations with various physical parameters. We identify a harder-when-brighter trend in the spectral evolution. Moreover, higher-frequency bands (ultraviolet to X-ray) tend to flare earlier than lower-frequency bands (infrared to optical) in the synchrotron spectral component. Most importantly, polarization signatures appear more variable with higher frequencies. We find that the variation in temporal polarization depends strongly on the guide field strength. Specifically, reconnection with a significant guide field component leads to a very high polarization degree that contradicts typical blazar observations, while large polarization angle rotations are unique signatures of magnetic reconnection between nearly antiparallel magnetic field lines. These rotations are at least 90° and can extend to >180°, and they may be in either direction. Furthermore, these results imply that blazars that have shown large polarization angle rotations intrinsically have more nearly antiparallel magnetic field morphology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Simulation of radiation damping in rings, using stepwise ray-tracing methods

The ray-tracing code Zgoubi computes particle trajectories in arbitrary magnetic and/or electric field maps or analytical field models. It includes a built-in fitting procedure, spin tracking many Monte Carlo processes. The accuracy of the integration method makes it an efficient tool for multi-turn tracking in periodic machines. Energy loss by synchrotron radiation, based on Monte Carlo techniques, had been introduced in Zgoubi in the early 2000s for studies regarding the linear collider beam delivery system. However, only recently has this Monte Carlo tool been used for systematic beam dynamics and spin diffusion studies in rings, including eRHIC electron-ion collider project at the Brookhaven National Laboratory. Some beam dynamics aspects of this recent use of Zgoubi capabilities, including considerations of accuracy as well as further benchmarking in the presence of synchrotron radiation in rings, are reported here.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

TU-H-CAMPUS-TeP1-02: Seated Treatment: Setup Uncertainty Comparable to Supine

Purpose: For some head and neck patients, positioning in the supine position is not well tolerated. For these patients, treatment in a seated position would be preferred. We have evaluated inter- and intra- fraction uncertainty of patient set-up in a novel treatment chair which is compatible with modern linac designs. Methods: Five head-and-neck cancer patients were positioned in the chair, fitted with immobilization devices, and imaged with orthogonal X-rays. The couch (with chair attached) was rotated to simulate delivery (without actual treatment), another set of images were acquired, providing a measure of intra-fraction displacement. The patient then got off of and back onto the chair and the process was repeated, thus providing a measure of inter-fraction set-up uncertainty. Six sub-regions in the head-and-neck were rigidly registered to evaluate local intra- and interfraction displacement. Image guidance was simulated by first registering one sub-region; the residual displacement of other sub-regions was then measured. Additionally, a patient questionnaire was administered to evaluate tolerance of the seated position. Results: The chair design is such that all advantages of couch motions may be utilized. Average inter- and intrafraction displacements of all sub-regions in the seated position were less than 2 and 3 mm, respectively. When image guidance was simulated, interfraction displacements were reduced by an average of 4 mm, providing comparable setup to the supine position. The enrolled patients, who had no indication for a seated treatment position, reported no preference for the seated or the supine position. Conclusion: The novel chair design provides acceptable inter- and intra-fraction displacement, with reproducibility similar to that observed for patients in the supine position. Such a chair will be utilized for patients who cannot tolerate the supine position and use with CBCT images for planning, in a fixed-beam linac system, and for other treatment sites is under investigation. Funding: Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

The Hamiltonian Mechanics of Stochastic Acceleration

We show how to end the physical Langevin equation describing the trajectories of particles undergoing collisionless stochastic acceleration. These stochastic dierential equations retain not only one-, but two-particle statistics, and inherit the Hamiltonian nature of the underlying microscopic equations. This opens the door to using stochastic variational integrators to perform simulations of stochastic interactions such as Fermi acceleration. We illustrate the theory by applying it to two example problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Reconstruction of beam parameters and betatron radiation spectra measured with a Compton spectrometer

The photon flux resulting from high-energy electron beam interactions with high-field systems, such as those found in the upcoming FACET-II experiments at the SLAC National Accelerator Laboratory, yields deep insight into the electron beam’s underlying dynamics during the interaction. However, extracting this information is an intricate process. To demonstrate how to approach this challenge using modern methods, this paper utilizes simulated data that models plasma wakefield acceleration-derived betatron radiation in experiments to determine reliable methods of reconstructing key beam and beam-plasma interaction properties. For betatron radiation measurements, translating the observed 200⁢ keV to 30⁢ MeV photon double-differential energy-angle spectra obtained from an advanced Compton spectrometer requires testing multiple methods to optimize the pipeline from its response to incident electron beam information. The paper compares maximum likelihood estimation and machine learning to refine the translation of photon spectra into precise electron beam metrics, such as spot size, energy, and emittance, enhancing the understanding of beam behavior within these dense, high-field environments. We also introduce machine learning and the expected maximization algorithm to reconstruct the primary photon spectrum, employing a multilayer neural network for regression analysis of the energy and angle spectra. With appropriate modifications, the advanced methods reproduce relevant incident beam parameters with high accuracy, even for beam sizes in the <10 μ⁢m range. This capacity is critical to understanding intense beam propagation and its optimization in plasma.

Beam code development & simulation techniques↗
DOE OSTI2013

Increasing energy coupling into plasma waves by tailoring the laser radial focal spot distribution in a laser wakefield accelerator

By controlling the focal spot quality with a deformable mirror, we are able to show that increasing the fraction of pulse energy contained within the central part of the focal spot, while keeping the total energy and central spot size constant, significantly increases the amount of energy transferred to the wakefield: Our measurements show that the laser loses significantly more laser energy and undergoes greater redshifting and that more charge is produced in the accelerated beam. Three dimensional particle in cell simulations performed with accurate representations of the measured focal spot intensity distribution confirm that energy in the wings of the focal spot is effectively wasted. Even though self-focusing occurs, energy in the wings of the focal spot distribution is not coupled into the wakefield, emphasising the vital importance of high quality focal spot profiles in experiments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Breathing oscillations in enlarged cylindrical-anode-layer Hall plasma accelerator

Breathing oscillations in the discharge of an enlarged cylindrical-anode-layer Hall plasma accelerator are investigated by three-dimensional particle-in-cell (PIC) simulation. Different from the traditional breathing mode in a circular Hall plasma accelerator, the bulk plasma oscillation here is trigged by the potential barrier generated by the concentrated ion beam and substantial enough to compete with the anode voltage. The electric field near the anode is suppressed by the potential barrier thereby decreasing the electron density by {approx}36%. The discharge is restored to the normal level after the concentrated beam explodes and then it completes one cycle of electro-driven breathing oscillation. The breathing mode identified by the PIC simulation has a frequency range of {approx}156 kHz-{approx}250 kHz and does not vary monotonically with the discharge voltage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Parallel heat flux and flow acceleration in open field line plasmas with magnetic trapping

The magnetic field strength modulation in a tokamak scrape-off layer (SOL) provides both flux expansion next to the divertor plates and magnetic trapping in a large portion of the SOL. Previously, we have focused on a flux expander with long mean-free-path, motivated by the high temperature and low density edge anticipated for an absorbing boundary enabled by liquid lithium surfaces. Here, the effects of magnetic trapping and a marginal collisionality on parallel heat flux and parallel flow acceleration are examined. The various transport mechanisms are captured by kinetic simulations in a simple but representative mirror-expander geometry. The observed parallel flow acceleration is interpreted and elucidated with a modified Chew-Goldberger-Low model that retains temperature anisotropy and finite collisionality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

MO-F-CAMPUS-T-03: Data Driven Approaches for Determination of Treatment Table Tolerance Values for Record and Verification Systems

Purpose: To determine appropriate couch tolerance values for modern radiotherapy linac R&V systems with indexed patient setup. Methods: Treatment table tolerance values have been the most difficult to lower, due to many factors including variations in patient positioning and differences in table tops between machines. We recently installed nine linacs with similar tables and started indexing every patient in our clinic. In this study we queried our R&V database and analyzed the deviation of couch position values from the acquired values at verification simulation for all patients treated with indexed positioning. Mean and standard deviations of daily setup deviations were computed in the longitudinal, lateral and vertical direction for 343 patient plans. The mean, median and standard error of the standard deviations across the whole patient population and for some disease sites were computed to determine tolerance values. Results: The plot of our couch deviation values showed a gaussian distribution, with some small deviations, corresponding to setup uncertainties on non-imaging days, and SRS/SRT/SBRT patients, as well as some large deviations which were spot checked and found to be corresponding to indexing errors that were overriden. Setting our tolerance values based on the median + 1 standard error resulted in tolerance values of 1cm lateral and longitudinal, and 0.5 cm vertical for all non- SRS/SRT/SBRT cases. Re-analizing the data, we found that about 92% of the treated fractions would be within these tolerance values (ignoring the mis-indexed patients). We also analyzed data for disease site based subpopulations and found no difference in the tolerance values that needed to be used. Conclusion: With the use of automation, auto-setup and other workflow efficiency tools being introduced into radiotherapy workflow, it is very essential to set table tolerances that allow safe treatments, but flag setup errors that need to be reassessed before treatments.

60 APPLIED LIFE SCIENCES↗