Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Free electron model”

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.

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

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

The oblique whistler instability in the earth's foreshock

The linear Vlasov stability properties of electron velocity distributions, similar to those observed in the upstream foreshock region in association with obliquely propagating whistler waves at approximately 1 Hz, are studied. These distributions are modeled by a sum of bi-Maxwellians with drift speeds parallel to the magnetic field B. Such distributions are found to be stable to modes with wavevectors k parallel to B but unstable to whistler waves propagating obliquely to the magnetic field. The frequencies and wavelengths of these unstable modes agree well with those of whistlers observed upstream of the earth's bow shock. The free energy source driving the instability is a region of positive parallel slope at large pitch angles (about 85 deg) and intermediate energies (about 20 eV), probably corresponding to solar wind electrons magnetostatically reflected from the magnetic ramp of the bow shock. The whistlers grow via electromagnetic Landau resonance with this free energy source.

Sentman, D. D.↗
DOE OSTI2024

Scaling and merging time-resolved pink-beam diffraction with variational inference

Time-resolved x-ray crystallography (TR-X) at synchrotrons and free electron lasers is a promising technique for recording dynamics of molecules at atomic resolution. While experimental methods for TR-X have proliferated and matured, data analysis is often difficult. Extracting small, time-dependent changes in signal is frequently a bottleneck for practitioners. Recent work demonstrated this challenge can be addressed when merging redundant observations by a statistical technique known as variational inference (VI). However, the variational approach to time-resolved data analysis requires identification of successful hyperparameters in order to optimally extract signal. In this case study, we present a successful application of VI to time-resolved changes in an enzyme, DJ-1, upon mixing with a substrate molecule, methylglyoxal. We present a strategy to extract high signal-to-noise changes in electron density from these data. Furthermore, we conduct an ablation study, in which we systematically remove one hyperparameter at a time to demonstrate the impact of each hyperparameter choice on the success of our model. We expect this case study will serve as a practical example for how others may deploy VI in order to analyze their time-resolved diffraction data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

SpeckleNN: a unified embedding for real-time speckle pattern classification in X-ray single-particle imaging with limited labeled examples

With X-ray free-electron lasers (XFELs), it is possible to determine the three-dimensional structure of noncrystalline nanoscale particles using X-ray single-particle imaging (SPI) techniques at room temperature. Classifying SPI scattering patterns, or `speckles', to extract single-hits that are needed for real-time vetoing and three-dimensional reconstruction poses a challenge for high-data-rate facilities like the European XFEL and LCLS-II-HE. Here, we introduce SpeckleNN, a unified embedding model for real-time speckle pattern classification with limited labeled examples that can scale linearly with dataset size. Trained with twin neural networks, SpeckleNN maps speckle patterns to a unified embedding vector space, where similarity is measured by Euclidean distance. We highlight its few-shot classification capability on new never-seen samples and its robust performance despite having only tens of labels per classification category even in the presence of substantial missing detector areas. Without the need for excessive manual labeling or even a full detector image, our classification method offers a great solution for real-time high-throughput SPI experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Femtosecond laser produced periodic plasma in a colloidal crystal probed by XFEL radiation

With the rapid development of short-pulse intense laser sources, studies of matter under extreme irradiation conditions enter further unexplored regimes. In addition, an application of X-ray Free-Electron Lasers (XFELs) delivering intense femtosecond X-ray pulses, allows to investigate sample evolution in IR pump - X-ray probe experiments with an unprecedented time resolution. Here we present a detailed study of the periodic plasma created from the colloidal crystal. Both experimental data and theory modeling show that the periodicity in the sample survives to a large extent the extreme excitation and shock wave propagation inside the colloidal crystal. This feature enables probing the excited crystal, using the powerful Bragg peak analysis, in contrast to the conventional studies of dense plasma created from bulk samples for which probing with Bragg diffraction technique is not possible. X-ray diffraction measurements of excited colloidal crystals may then lead towards a better understanding of matter phase transitions under extreme irradiation conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Upwind techniques for flows with multiple translational temperatures

The numerical simulation of high-speed flows out of chemical and thermodynamic equilibrium is considered. A general model for the species internal energy is utilized, which allows for multiple translational temperatures. A study of the characteristic wave speeds for the case of two translational temperatures, one associated with the average thermal speed of the heavy particles and the other associated with the translational temperature of free electrons, yields some very interesting results, with acoustic wave speeds of the symmetric form u + or - a no longer appearing. An asymptotic analysis in terms of small electron mass fractions yields approximate wave speed which recover the symmetric form, with the addition of a new wave speed associated with the electron energy equation.

Cinnella, Pasquale↗
NASA NTRS1993

Physics of solar activity

The aim of the research activity was to increase our understanding of solar activity through data analysis, theoretical analysis, and computer modeling. Because the research subjects were diverse and many researchers were supported by this grant, a select few key areas of research are described in detail. Areas of research include: (1) energy storage and force-free magnetic field; (2) energy release and particle acceleration; (3) radiation by nonthermal electrons; (4) coronal loops; (5) flare classification; (6) longitude distributions of flares; (7) periodicities detected in the solar activity; (8) coronal heating and related problems; and (9) plasma processes.

Sturrock, Peter A.↗
NASA NTRS2017

Global Energetics of Solar Flares. V. Energy Closure in Flares and Coronal Mass Ejections

In this study we synthesize the results of four previous studies on the global energetics of solar flares and associated coronal mass ejections (CMEs), which include magnetic, thermal, nonthermal, and CME energies in 399 solar M and X-class flare events observed during the first 3.5 years of the Solar Dynamics Observatory (SDO) mission. Our findings are: (1) The sum of the mean nonthermal energy of flare-accelerated particles (E(sub nt)), the energy of direct heating (E(sub dir)), and the energy in coronal mass ejections (E(sub CME)), which are the primary energy dissipation processes in a flare, is found to have a ratio of (E(sub nt) + E(sub dir) + E(sub CME))/E(sub mag) = 0.87±0.18, compared with the dissipated magnetic free energy E(sub mag), which confirms energy closure within the measurement uncertainties and corroborates the magnetic origin of flares and CMEs; (2) The energy partition of the dissipated magnetic free energy is: 0.51±0.17 in nonthermal energy of ≥ 6 keV electrons, 0.17± 0.17 in nonthermal ≥ 1 MeV ions, 0.07 ± 0.14 in CMEs, and 0.07 ± 0.17 in direct heating; (3) The thermal energy is almost always less than the nonthermal energy, which is consistent with the thick-target model; (4) The bolometric luminosity in white-light flares is comparable with the thermal energy in soft X-rays (SXR); (5) Solar Energetic Particle (SEP) events carry a fraction ≈ 0.03 of the CME energy, which is consistent with CME-driven shock acceleration; and (6) The warm-target model predicts a lower limit of the low-energy cutoff at e(sub c) ≈ 6 keV, based on the mean differential emission measure (DEM) peak temperature of T(sub e) = 8.6 MK during flares. This work represents the first statistical study that establishes energy closure in solar flare/CME events.

Solar activity↗
NASA NTRS2017

Global Energetics of Solar Flares. V. Energy Closure in Flares and Coronal Mass Ejections

In this study we synthesize the results of four previous studies on the global energetics of solar flares and associated coronal mass ejections (CMEs), which include magnetic, thermal, nonthermal, and CME energies in 399 solar M and X-class flare events observed during the first 3.5 years of the Solar Dynamics Observatory (SDO) mission. Our findings are: (1) The sum of the mean nonthermal energy of flare-accelerated particles (E(sub nt)), the energy of direct heating (E(sub dir)), and the energy in coronal mass ejections (E(sub CME)), which are the primary energy dissipation processes in a flare, is found to have a ratio of (E(sub nt)+E(sub dir)+E(sub CME))/E(sub mag) = 0.87±0.18, compared with the dissipated magnetic free energy E(sub mag), which confirms energy closure within the measurement uncertainties and corroborates the magnetic origin of flares and CMEs; (2) The energy partition of the dissipated magnetic free energy is: 0.51±0.17 in nonthermal energy of ≥ 6 keV electrons, 0.17± 0.17 in nonthermal ≥ 1 MeV ions, 0.07 ± 0.14 in CMEs, and 0.07 ± 0.17 in direct heating; (3) The thermal energy is almost always less than the nonthermal energy, which is consistent with the thick-target model; (4) The bolometric luminosity in white-light flares is comparable with the thermal energy in soft X-rays (SXR); (5) Solar Energetic Particle (SEP) events carry a fraction ≈ 0.03 of the CME energy, which is consistent with CME-driven shock acceleration; and (6) The warm-target model predicts a lower limit of the low-energy cutoff at ec ≈ 6 keV, based on the mean differential emission measure (DEM) peak temperature of T(sub e) = 8.6 MK during flares. This work represents the first statistical study that establishes energy closure in solar flare/CME events.

Solar activity↗
NASA NTRS2017

Global Energetics of Solar Flares and CMEs: V. Energy Closure

In this study we synthesize the results of four previous studies on the global energetics of solar flares and associated coronal mass ejections (CMEs), which include magnetic, thermal, nonthermal, and CME energies in 399 solar M and X-class flare events observed during the first 3.5 years of the Solar Dynamics Observatory (SDO) mission. Our findings are: (1) The sum of the mean nonthermal energy of flare-accelerated particles (E(sub nt)), the energy of direct heating (E(sub dir)), and the energy in coronal mass ejections (E(sub CME)), which are the primary energy dissipation processes in a flare, is found to have a ratio of (E(sub nt)+E(sub dir)+E(sub CME))/E(sub mag) = 0.87±0.18, compared with the dissipated magnetic free energy E(sub mag), which confirms energy closure within the measurement uncertainties and corroborates the magnetic origin of flares and CMEs; (2) The energy partition of the dissipated magnetic free energy is: 0.51±0.17 in nonthermal energy of ≥ 6 keV electrons, 0.17± 0.17 in nonthermal ≥ 1 MeV ions, 0.07 ± 0.14 in CMEs, and 0.07 ± 0.17 in direct heating; (3) The thermal energy is almost always less than the nonthermal energy, which is consistent with the thick-target model; (4) The bolometric luminosity in white-light flares is comparable with the thermal energy in soft X-rays (SXR); (5) Solar Energetic Particle (SEP) events carry a fraction ≈ 0.03 of the CME energy, which is consistent with CME-driven shock acceleration; and (6) The warm-target model predicts a lower limit of the low-energy cutoff at e(sub c) ≈ 6 keV, based on the mean differential emission measure (DEM) peak temperature of T(sub e) = 8.6 MK during flares. This work represents the first statistical study that establishes energy closure in solar flare/CME events.

Solar activity↗
DOE OSTI2022

Tracking structural solvent reorganization and recombination dynamics following e – photoabstraction from aqueous I – with femtosecond x-ray spectroscopy and scattering

Here we present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I–(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L 1 -edge of the generated nascent iodine atoms (I 0 ) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine–electron recombination model without the need for a long-lived (I 0 :e–) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H 2 O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine–oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I–) to an expanded cavity around I 0 with a more random orientation of the H 2 O molecules in a broadened first solvation shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The development of thermodynamically consistent and physics-informed equation-of-state model through machine learning

Ab initio molecular dynamics (AIMD) simulations have become an important tool used in the construction of equations of state (EOS) tables for warm dense matter. Due to computational costs, only a limited number of system state conditions can be simulated, and the remaining EOS surface must be interpolated for use in radiation-hydrodynamic simulations of experiments. In this work, we develop a thermodynamically consistent EOS model that utilizes a physics-informed machine learning approach to implicitly learn the underlying Helmholtz free-energy from AIMD generated energies and pressures. The model, referred to as PIML-EOS, was trained and tested on warm dense polystyrene producing a fit within a 1% relative error for both energy and pressure and is shown to satisfy both the Maxwell and Gibbs–Duhem relations. In addition, we provide a path toward obtaining thermodynamic quantities, such as the total entropy and chemical potential (containing both ionic and electronic contributions), which are not available from current AIMD simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Particle phase-state variability in the North Atlantic free troposphere during summertime is determined by atmospheric transport patterns and sources

Abstract. Free tropospheric aerosol particles have important but poorly constrained climate effects due to transformations of their physicochemical properties during long-range transport. In this study, we investigate the chemical composition and provide an overview of the phase states of individual particles that have undergone long-range transport over the North Atlantic Ocean in June and July 2014, 2015, and 2017 to the Observatory of Mount Pico (OMP) in the Azores. The OMP is an ideal site for studying long-range-transported free tropospheric particles because local emissions have a negligible influence and contributions from the boundary layer are rare. We used the FLEXible PARTicle Lagrangian particle dispersion model (FLEXPART) to determine the origins and transport trajectories of sampled air masses and found that most of them originated from North America and recirculated over the North Atlantic Ocean. The FLEXPART analysis showed that the sampled air masses were highly aged (average plume age >10 d). Size-resolved chemical compositions of individual particles were probed using computer-controlled scanning electron microscopy with an energy-dispersive X-ray spectrometer (CCSEM-EDX) and scanning transmission X-ray microscopy with near-edge X-ray absorption fine structure spectroscopy (STXM-NEXAFS). CCSEM-EDX results showed that the most abundant particle types were carbonaceous (∼ 29.9 % to 82.0 %), sea salt (∼ 0.3 % to 31.6 %), and sea salt with sulfate (∼ 2.4 % to 31.5 %). We used a tilted stage interfaced within an environmental scanning electron microscope (ESEM) to determine the phase states of individual submicron particles. We found that most particles (∼ 47 % to 99 %) were in the liquid state at the time of collection due to inorganic inclusions. Moreover, we also observed substantial fractions of solid and semisolid particles (∼ 0 % to 30 % and ∼ 1 % to 42 %, respectively) during different transport patterns and events, reflecting the particles' phase-state variability for different atmospheric transport events and sources. Combining phase state measurements with FLEXPART CO tracer analysis, we found that wildfire-influenced plumes can result in particles with a wide range of viscosities after long-range transport in the free troposphere. We also used temperature and RH values extracted from the Global Forecast System (GFS) along the FLEXPART-simulated path to predict the phase state of the particles during transport and found that neglecting internal mixing with inorganics would lead to an overestimation of the viscosity of free tropospheric particles. Our findings warrant future investigation aiming at the quantitative assessment of the influence of internal mixing on the phase states of the individual particles. This study also provides insights into the chemical composition and phase state of free tropospheric particles, which can help models to reduce uncertainties about the effects of ambient aerosol particles on climate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A global analysis strategy to resolve neutrino NSI degeneracies with scattering and oscillation data

Neutrino non-standard interactions (NSI) with the first generation of standard model fermions can span a parameter space of large dimension and exhibit degeneracies that cannot be broken by a single class of experiment. Oscillation experiments, together with neutrino scattering experiments, can merge their observations into a highly informational dataset to combat this problem. We consider combining neutrino-electron and neutrino-nucleus scattering data from the Borexino and COHERENT experiments, including a projection for the upcoming coherent neutrino scattering measurement at the CENNS-10 liquid argon detector. We extend the reach of these data sets over the NSI parameter space with projections for neutrino scattering at a future multi-ton scale dark matter detector and future oscillation measurements from atmospheric neutrinos at the Deep Underground Neutrino Experiment (DUNE). In order to perform this global anal- ysis, we adopt a novel approach using the copula method, utilized to combine posterior information from different experiments with a large, generalized set of NSI parameters. We find that the contributions from DUNE and a dark matter detector to the Borexino and COHERENT fits can improve constraints on the electron and quark NSI parameters by up to a factor of 2 to 3, even when relatively many NSI parameters are left free to vary in the analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Parallel expansion of a fuel pellet plasmoid

The problem of the assimilation of a cryogenic fuel pellet injected into a hot plasma is considered. Due to the transparency to ambient particles of the plasmoid, the localised region of high-density plasma created by ionisation of the ablated pellet material, electrons reach a ‘quasiequilibrium’ (QE) state which is characterised by a steady-state on the fastest collisional time scale. The simplified electron kinetic equation of the QE state is solved. Taking a velocity moment of the higher-order electron kinetic equation, which is valid on the expansion time scale, permits a fluid closure, yielding an evolution equation for the macroscopic parameters describing the QE distribution function. In contrast to the Braginskii equations, the closure does not require that electrons have a short mean free path compared with the size of density perturbations, and permits an anisotropic and highly non-Maxwellian distribution function. As the QE distribution function accounts for both trapped and passing electrons, the self-consistent electric potential that causes the expansion can be properly described, in contrast to earlier models of pellet plasmoid expansion with an unbounded potential. The plasmoid expansion is simulated using both a Vlasov model and a cold-fluid model for the ions. During the expansion plasmoid ions and electrons obtain nearly equal amounts of energy; as hot ambient electrons provide this energy in the form of collisional heating of plasmoid electrons, the expansion of a pellet plasmoid is expected to be a potent mechanism for the transfer of energy from electrons to ions on a time scale shorter than that of ion–electron thermalisation.

Physics↗
DOE OSTI2023

Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins

A challenge for design of protein–small-molecule recognition is that incorporation of cavities with size, shape, and composition suitable for specific recognition can considerably destabilize protein monomers. This challenge can be overcome through binding pockets formed at homo-oligomeric interfaces between folded monomers. Interfaces surrounding the central homo-oligomer symmetry axes necessarily have the same symmetry and so may not be well suited to binding asymmetric molecules. To enable general recognition of arbitrary asymmetric substrates and small molecules, we developed an approach to designing asymmetric interfaces at off-axis sites on homo-oligomers, analogous to those found in native homo-oligomeric proteins such as glutamine synthetase. We symmetrically dock curved helical repeat proteins such that they form pockets at the asymmetric interface of the oligomer with sizes ranging from several angstroms, appropriate for binding a single ion, to up to more than 20 Å across. Of the 133 proteins tested, 84 had soluble expression in E. coli, 47 had correct oligomeric states in solution, 35 had small-angle X-ray scattering (SAXS) data largely consistent with design models, and 8 had negative-stain electron microscopy (nsEM) 2D class averages showing the structures coming together as designed. Both an X-ray crystal structure and a cryogenic electron microscopy (cryoEM) structure are close to the computational design models. The nature of these proteins as homo-oligomers allows them to be readily built into higher-order structures such as nanocages, and the asymmetric pockets of these structures open rich possibilities for small-molecule binder design free from the constraints associated with monomer destabilization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Electric fields and substrates dramatically accelerate spin relaxation in graphene

Electrons in graphene are theoretically expected to retain spin states much longer than most materials, making graphene a promising platform for spintronics and quantum information technologies. Here, in this work, we use first-principles density-matrix (FPDM) dynamics simulations to show that interaction with electric fields and substrates strongly enhances spin relaxation through scattering with phonons. Consequently, the relaxation time at room temperature reduces from microseconds in free-standing graphene to nanoseconds in graphene on the hexagonal boron nitride (hBN) substrate, which is the order of magnitude typically measured in experiments. Further, inversion symmetry breaking by hBN introduces a stronger asymmetry in electron and hole spin lifetimes than predicted by the conventional D'yakonov-Perel' (DP) model for spin relaxation. Deviations from the conventional DP model are stronger for in-plane spin relaxation, resulting in out-of-plane to in-plane lifetime ratios much greater than 1/2 with a maximum close to the Dirac point. These FPDM results, independent of symmetry-specific assumptions or material-dependent parameters, also validate recent modifications of the DP model to explain such deviations. Overall, our results indicate that spin-phonon relaxation in the presence of substrates may be more important in graphene than typically assumed, requiring consideration for graphene-based spin technologies at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

New Perspectives on Spectroscopic Factor Quenching from Reactions

The evolution of single-particle strengths as the neutron-to-proton asymmetry changes informs us of the importance of short- and long-range correlations in nuclei and has therefore been extensively studied for the last two decades. Surprisingly, the strong asymmetry dependence of these strengths and their extreme values for highly asymmetric nuclei inferred from knockout reaction measurements on a target nucleus are not consistent with what is extracted from electron-induced, transfer, and quasi-free reaction data, constituting a two-decade old puzzle. This work presents the first consistent analysis of one-nucleon transfer and one-nucleon knockout data, in which theoretical uncertainties associated with the nucleon-nucleus effective interactions considered in the reaction models are quantified using a Bayesian analysis. Here, our results demonstrate that, taking into account these uncertainties, the spectroscopic strengths of loosely bound nucleons extracted from both probes agree with each other and, although there are still discrepancies for deeply bound nucleons, the slope of the asymmetry dependence of the single-particle strengths inferred from transfer and knockout reactions are consistent within 1 σ . Both probes are consistent with a small asymmetry dependence of these strengths. The uncertainties obtained in this work represent a lower bound and are already significantly larger than the original estimates.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1996

Initial Usability Testing of a Hand-Held Electronic Logbook Prototype for the Human Research Facility

The Apple(R) Newton(TM) MessagePad 110 was flown aboard the KC-135 reduced gravity aircraft for microgravity usability testing. The Newton served as the initial hand-held electronic logbook prototype for the International Space Station (ISS) Human Research Facility (HRF). Subjects performed three different tasks with the Newton: (1) using the stylus to tap on different sections of the screen in order to launch an application and to select options within it; (2) using the stylus to write, and; (3) correcting handwriting recognition errors in a handwriting-intensive application. Subjects rated handwriting in microgravity 'Borderline' and had great difficulties finding a way in which to adequately restrain themselves at the lower body in order to have their hands free for the Newton. Handwriting recognition was rated 'Unacceptable,' but this issue is hardware-related and not unique to the microgravity environment. It is suggested that the restraint and handwriting issues are related and require further joint research with the current Handheld Electronic Logbook prototype: the Norand Pen*key Model #6300.

Berman, Andrea H.↗