SEARCH · Search NASA

Results for “Electron Simulation”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 433 records · Page 24

All sources NASA NTRS DOE OSTI

NASA NTRS1980

Assessment of risk due to the use of carbon fiber composites in commercial and general aviation

The development of a national risk profile for the total annual aircraft losses due to carbon fiber composite (CFC) usage through 1993 is discussed. The profile was developed using separate simulation methods for commercial and general aviation aircraft. A Monte Carlo method which was used to assess the risk in commercial aircraft is described. The method projects the potential usage of CFC through 1993, investigates the incidence of commercial aircraft fires, models the potential release and dispersion of carbon fibers from a fire, and estimates potential economic losses due to CFC damaging electronic equipment. The simulation model for the general aviation aircraft is described. The model emphasizes variations in facility locations and release conditions, estimates distribution of CFC released in general aviation aircraft accidents, and tabulates the failure probabilities and aggregate economic losses in the accidents.

Fiksel, J.↗

NASA NTRS1987

Numerical modeling of proton and electron bursts in a realistic magnetotail

Particle trajectories of the magnetotail ion and electron bursts were simulated using the Beard-Hirschi-Propp (1982) magnetic field model and data generated by IMP 8. Particle trajectories were computed both in the absence of the electric field, and with electric field introduced locally perpendicular to the magnetic field. The results indicate that the motions of energetic particles near the nominal neutral sheet can be divided into two types. Proton and electron parallel trajectories have most of their trajectory motion parallel to the magnetic field lines and travel long distances along field lines. Perpendicular particle trajectories travel much shorter distances with much of the trajectory motion perpendicular to the magnetic field and with proton trajectories interacting with the neutral sheet region. Only the premidnight trajectories connect to reasonable source locations, which explains the preferential occurrence of earthward energetic proton burst anisotropies in the premidnight sector.

Kutchko, Frank J.↗

DOE OSTI2025

Direct Imaging of Hydrogen‐Driven Dislocation and Strain Field Evolution in a Stainless Steel Grain

Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanisms driving HE often relies on simulations and electron-transparent sample techniques, limiting experimental insights into hydrogen-induced dislocation behavior in bulk materials. This study employs in situ Bragg coherent X-ray diffraction imaging to track three-dimensional (3D) dislocation and strain field evolution during hydrogen charging in a bulk grain of austenitic 316 stainless steel. Tracking a single dislocation reveals hydrogen-enhanced mobility and relaxation, consistent with dislocation dynamics simulations. Subsequent observations reveal dislocation unpinning and climb processes, likely driven by osmotic forces. Additionally, nanoscale strain analysis around the dislocation core directly measures hydrogen-induced elastic shielding. These findings experimentally validate theoretical predictions and offer mechanistic insights into hydrogen-driven dislocation behavior. The quantified nanoscale phenomena serve as critical inputs for multiscale modeling frameworks to predict bulk material responses and accelerate the development of HE-resistant alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Machine learning force field model for kinetic Monte Carlo simulations of itinerant Ising magnets

Here, we present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by conducting electrons, the calculation of energy change due to a local spin update requires solving an electronic structure problem. Such repeated electronic structure calculations could be overwhelmingly prohibitive for large systems. Assuming the locality principle, a convolutional neural network (CNN) model is developed to directly predict the effective local field and the corresponding energy change associated with a given spin update based on Ising configuration in a finite neighborhood. As the kernel size of the CNN is fixed at a constant, the model can be directly scalable to kMC simulations of large lattices. Our approach is reminiscent of the ML force field models widely used in first-principles molecular dynamics simulations. Applying our ML framework to a square-lattice double-exchange Ising model, we uncover unusual coarsening of ferromagnetic domains at low temperatures. Our work highlights the potential of ML methods for large-scale modeling of similar itinerant systems with discrete dynamical variables.

machine learning↗

DOE OSTI2024

Simulations, Modeling and Data Analysis of Parity Violating Electron Scattering Experiments

In the Standard Model (SM) of nuclear and particle physics, parity violation is incorporated through the representation of the weak interaction as a chiral gauge interaction. Only the left-handed components of particles and right-handed components of antiparticles participate in weak interactions in the Standard Model. This implies that parity is asymmetric for the weak interaction. Parity violating electron scattering (PVES) experiments are designed to probe the physics parameters related to the SM, with the possibility to discover physics beyond the SM (BSM) by measuring the parity violating asymmetry ¿¿¿ of longitudinally polarized electrons scattered off unpolarized targets with high precision. This dissertation will be focused on two PVES experiments, the next 208Pb Lead Radius Experiment (PREX-II), and the Measurement of a Lepton-Lepton Electroweak Reaction (MOLLER) experiment, as well as in some small sections, the Calcium Radius Experiment (CREX) and P2 experiment which are also PVES experiments). PREX-II and CREX experiments, performed in Hall A at the Thomas Jefferson National Accelerator Facility (Jefferson Lab), measured ¿¿¿ in the elastic scattering of longitudinally polarized electrons from 208Pb and 48Ca targets to provide a precise model independent determination of the neutron skin thickness of 208Pb and 48Ca nuclei, respectively. The MOLLER experiment, proposed to start in 2027 and also to be performed in Hall A at Jefferson Lab, is to measure ¿¿¿ of longitudinally polarized electrons scattered off unpolarized electrons (Møller scattering) to determine the weak charge of electrons ¿¿¿ and the weak mixing angle ¿¿ with high precision. As for the P2 experiment, which will be performed at the upcoming MESA accelerator in Mainz Germany, it is to measure the weak charge of proton ¿¿¿ using ¿¿¿ in the elastic electron-proton scattering of polarized electrons off unpolarized protons. The final results from the PREX-II experiment are presented as ¿¿¿=550±16 (¿¿¿¿)±8 (¿¿¿¿) parts-per-billion (ppb). Combining the PREX-I and PREX-II results, the neutron skin thickness from PREX experiments is determined as ¿¿-¿¿=0.283±0.071 ¿¿ in 208Pb. This thesis lists the software and computational contribution of the author to these PVES experiments, including writing scripts and software to help with the PREX-II/CREX experiments, analyzing data to provide useful information and systematic uncertainty for the PREX-II experiment, modeling and simulations for the MOLLER, and providing an alternative design of an electronic equipment for the P2 experiment.

Chen, Yufan↗

DOE OSTI2024

Simulations, Modeling and Data Analysis of Parity Violating Electron Scattering Experiments

Chen, Yufan↗

DOE OSTI2024

Simulation-trained machine learning models for Lorentz transmission electron microscopy

Understanding the collective behavior of complex spin textures, such as lattices of magnetic skyrmions, is of fundamental importance for exploring and controlling the emergent ordering of these spin textures and inducing phase transitions. It is also critical to understand the skyrmion–skyrmion interactions for applications such as magnetic skyrmion-enabled reservoir or neuromorphic computing. Magnetic skyrmion lattices can be studied using in situ Lorentz transmission electron microscopy (LTEM), but quantitative and statistically robust analysis of the skyrmion lattices from LTEM images can be difficult. In this work, we show that a convolutional neural network, trained on simulated data, can be applied to perform segmentation of spin textures and to extract quantitative data, such as spin texture size and location, from experimental LTEM images, which cannot be obtained manually. This includes quantitative information about skyrmion size, position, and shape, which can, in turn, be used to calculate skyrmion–skyrmion interactions and lattice ordering. We apply this approach to segmenting images of Néel skyrmion lattices so that we can accurately identify skyrmion size and deformation in both dense and sparse lattices. The model is trained using a large set of micromagnetic simulations as well as simulated LTEM images. This entirely open-source training pipeline can be applied to a wide variety of magnetic features and materials, enabling large-scale statistical studies of spin textures using LTEM.

McCray, Arthur R. C. (ORCID:0000000160774698)↗

DOE OSTI2024

Skeletal Kinetics Reduction for Astrophysical Reaction Networks

A novel methodology is developed to extract accurate skeletal reaction models for nuclear combustion. Local sensitivities of isotope mass fractions with respect to reaction rates are modeled based on the forced optimally time-dependent (f-OTD) scheme. These sensitivities are then analyzed temporally to generate skeletal models. The methodology is demonstrated by conducting skeletal reduction of constant density and temperature burning of carbon and oxygen relevant to Type Ia supernovae (SNe Ia). The 495-isotopes Torch model is chosen as the detailed reaction network. A map of maximum production of 56 Ni in SNe Ia is produced for different temperatures, densities, and proton-to-neutron ratios. The f-OTD simulations and the sensitivity analyses are then performed with initial conditions from this map. A series of skeletal models are derived and their performances are assessed by comparison against currently existing skeletal models. Previous models have been constructed intuitively by assuming the dominance of α-chain reactions. The comparison of the newly generated skeletal models against previous models is based on the predicted energy release and 44 Ti and 56 Ni abundances by each model. The consequences of ye ≠ 0.5 in the initial composition are also explored where ye is the electron fraction. The simulated results show that 56 Ni production decreases by decreasing ye as expected, and that the 43 Sc is a key isotope in proton and neutron channels toward 56 Ni production. It is shown that an f-OTD skeletal model with 150 isotopes can accurately predict the 56Ni abundance in SNe Ia for ye ≲ 0.5 initial conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2009

Radiation from Relativistic Shocks with Turbulent Magnetic Fields

Recent PIC simulations of relativistic electron-positron (electron-ion) jets injected into a stationary medium show that particle acceleration occurs at shocked region. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the shock. The "jitter" radiation from deflected electrons in turbulent magnetic fields has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants. New recent calculation of spectra with various different Lorentz factors of jets (two electrons) and initial magnetic fields. New spectra based on small simulations will be presented.

Nishkawa, K.↗

NASA NTRS1979

A combined spacecraft charging and pulsed X-ray simulation facility

A spacecraft charging simulation facility constructed to investigate the response of satellite materials in a typical geomagnetic substorm environment is described. The conditions simulated include vacuum, solar radiation, and substorm electrons. A nuclear threat environment simulation using a flash X ray generator is combined with the spacecraft charging facility. Results obtained on a solar cell array segment used for a preliminary facility demonstration are presented with a description of the facility.

Face, S. H.↗

NASA NTRS1991

A study of ignition and simulation circuits for arcjet thrusters, part 1

A 1 kW electronic load was programmed to simulate the nonlinear i-v (volt-ampere) characteristics of an arcjet, both ignited and unignited. The simulator was tested and found to closely resemble an arcjet both for large transients and small perturbances up to about 40 kHz. No attempt was made to simulate the ignition process itself. The dynamic behavior of the arcjet (and the simulator) was shown to differ significantly from that of a resistor bank. Previous research led to the design and construction of a 1 kW arcjet power supply. A high voltage ignition circuit was added to this hardware, and tests on a 1 kW arcjet were performed at NASA-Lewis. All tests were successful and no ignition failures were observed. Circuit documentation and test results are included.

Stuart, Thomas A.↗

DOE OSTI2024

Kinetic simulations underestimate the effects of waves during magnetic reconnection

Collisionless plasma systems are often studied using fully kinetic simulations, where protons and electrons are treated as particles. Due to their computational expense, it is necessary to reduce the ion-to-electron mass ratio $m_i/m_e$ or the ratio between plasma and cyclotron frequencies in simulations of large systems. In this Letter we show that when electron-scale waves are present in larger-scale systems, numerical parameters affect their amplitudes and effects on the larger system. Using lower-hybrid drift waves during magnetic reconnection as an example, we find that the ratio between the wave electric field and the reconnection electric field scales as $\sqrt{m_i/m_e}$, while the phase relationship is also affected. The combination of these effects means that the anomalous drag that contributes to momentum balance in the reconnection region can be underestimated by an order of magnitude. The results are relevant to the coupling of electron-scale waves to ion-scale reconnection regions, and other systems such as collisionless shocks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1992

Titan's organic chemistry: Results of simulation experiments

Recent low pressure continuous low plasma discharge simulations of the auroral electron driven organic chemistry in Titan's mesosphere are reviewed. These simulations yielded results in good accord with Voyager observations of gas phase organic species. Optical constants of the brownish solid tholins produced in similar experiments are in good accord with Voyager observations of the Titan haze. Titan tholins are rich in prebiotic organic constituents; the Huygens entry probe may shed light on some of the processes that led to the origin of life on Earth.

Sagan, Carl↗

DOE OSTI2025

Multiscale Nuclear-Electronic Orbital Quantum Dynamics in Complex Environments

Many renewable energy conversion processes rely on the movement of protons as well as electrons through either electrocatalysis or photoexcitation. The simulation of such processes requires a quantum mechanical description of coupled nuclear-electronic dynamics in a solvent or heterogeneous chemical environment. The overall objective of this project is the development of theoretical and computational capabilities for simulating nuclear-electronic quantum dynamics in complex environments and the creation of high-performance, open-source software. This multiscale framework will enable simulations of the real-time dynamics of nonequilibrium excited state proton-coupled electron transfer, quantum decoherence, vibronic energy transfer, and ultrafast radiolysis, as well as their associated time-resolved multidimensional spectroscopies. An important outcome of this project will be a sustainable, reusable, and interoperable open-source software ecosystem. This software will be designed for emerging exascale and future national leadership computers. Another key outcome will be a multiscale quantum dynamics method and software enabling simulations of nonequilibrium nuclear-electronic quantum dynamics in complex environments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

SEPAC data analysis in support of the environmental interaction program

Data analyses of the Space Experiments with Particle Accelerators (SEPAC) data and computer modeling were conducted to investigate spacecraft environmental effects associated with injection of electron beams, plasma clouds, and neutral gas clouds from the Shuttle orbiter. The data analysis indicates that Extremely Low Frequency oscillations from 150 to 200 Hz were seen in the Langmuir probe current when the beam was fired in a continuous mode. The strongest oscillations occurred when the ambient pressure was augmented by neutral gas releases from the SEPAC plasma accelerator magnetoplasma-dynamic (MPD) arcjet. To understand the dependence of spacecraft charging potential on beam density and other plasma parameters, a two-dimensional electrostatic particle code was used to simulate the injection of electron beams from an infinite conductor into a plasma. The simulations show that the conductor charging potential depends critically on the reflection coefficient of the conductor surface, which is defined as the percentage of incident particles reflected by the conductor. The ionization effects on spacecraft charging were examined by including interactions of electrons with neutral gas. The simulations show that the conductor charging potential decreases with increasing neutral background density due to the production of secondary electrons near the conductor surface. The simulations also indicate that the beam radius is generally proportional to the beam electron gyroradius when the conductor is charged to a large potential. It appears that the charge buildup at the beam stagnation point causes the beam radial expansion. A survey of the simulation results suggests that the ratio of the beam radius to the beam electron gyroradius increases with the square root of beam density and decreases inversely with beam injection velocity. These results are useful for explaining the spacecraft charging phenomena observed during SEPAC experiments from Spacelab 1.

Lin, Chin S.↗

DOE OSTI2026

Maximum Energy of Particles Accelerated in Gamma-Ray Burst Afterglow Shocks

Particle acceleration in relativistic collisionless shocks remains an open problem in high-energy astrophysics. Particle-in-cell (PIC) simulations predict that electron acceleration in weakly magnetized shocks proceeds via small-angle scattering, leading to a maximum electron energy significantly below the Bohm limit. This upper bound on electron energy manifests observationally as a characteristic synchrotron cutoff, providing a direct probe of the underlying acceleration physics. Gamma-ray burst (GRB) afterglows offer an exceptional laboratory for testing these predictions. Here, we model the spectral evolution of GRB afterglows during the relativistic deceleration phase, incorporating PIC-motivated acceleration prescriptions and self-consistently computing synchrotron and synchrotron self-Compton emission. We find that low-energy bursts in low-density environments, typical of short GRBs, exhibit a pronounced synchrotron cutoff in the GeV band within minutes to hours after the trigger. Applying our framework to GRB 190114C and GRB 130427A, we find that current observations are insufficient to discriminate between PIC-motivated acceleration and the Bohm limit, primarily due to poor photon statistics in the Fermi-Large Area Telescope band. Nevertheless, future MeV–TeV afterglow observations can break model degeneracies and place substantially tighter constraints on the mechanisms responsible for particle acceleration in relativistic shocks. To this end, we simulate a fiducial nearby short GRB as a promising probe of the cutoff location, for which the two acceleration scenarios are cleanly distinguishable and the detection of such an event in the near future remains feasible.

Wu, Zhao-Feng [Purdue University, West Lafayette, ↗

NASA NTRS2009

Simulation of Relativistic Shocks and Associated Radiation from Turbulent Magnetic Fields

Plasma instabilities (e.g., Buneman, Weibel and other two-stream instabilities) excited in collisionless shocks are responsible for particle (electron, positron, and ion) acceleration. Using a new 3-D relativistic particle-in-cell code, we have investigated the particle acceleration and shock structure associated with an unmagnetized relativistic electron-positron jet propagating into an unmagnetized electron-positron plasma. The simulation has been performed using a long simulation system in order to study the nonlinear stages of the Weibel instability, the particle acceleration mechanism, and the shock structure. Cold jet electrons are thermalized and slowed while the ambient electrons are swept up to create a partially developed hydrodynamic (HD) like shock structure. In the leading shock, electron density increases by a factor of <_ 3.5 in the simulation frame. Strong electromagnetic fields are generated in the trailing shock and provide an emission site. We discuss the possible implication of our simulation results within the AGN and GRB context. We have calculated the time evolution of the spectrum from two electrons propagating in a uniform parallel magnetic field to verify the technique. The same technique will be used to calculate radiation from accelerated electrons (positrons) in turbulent magnetic fields generated by Weibel instability.

Nishikawa, K.↗

NASA NTRS1995

Early time evolution of a chemically produced electron depletion

The early time evolution of an ionospheric electron depletion produced by a radially expanding electron attachment chemical release is studied with a two-dimensional simulation model. The model includes electron attachment chemistry, incorporates fluid electrons, particle ions and neutrals, and considers the evolution in a plane perpendicular to the geomagnetic field for a low beta plasma. Timescales considered are of the order of or less than the cyclotron period of the negative ions that result as a by-product of the electron attacment reaction. This corresponds to time periods of tenths of seconds during recent experiemts. Simulation results show that a highly sheared azimuthal electron flow velocity develops in the radially expanding depletion boundary. This sheared electron flow velocity and the steep density gradients in the boundary give rise to small-scale irregulatities in the form of electron density cavities and spikes. The nonlinear evolution of these irregularities results in trapping and ultimately turbulent heating of the negative ions.

Scales, W. A.↗