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At least 1,225 records · Page 68

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NASA NTRS2011

Magnetohydrodynamic Turbulence and Reconnection in the Magnetotail

We have used a global MHD simulation with high spatial resolution to investigate the origin and properties of turbulence in the plasma sheet. In this simulation we imposed a steady southward IMF with a magnitude of 5 nT at the upstream simulation boundary for more than three hours followed by ninety minutes of northward IMF of the same magnitude. The solar wind number density was 20 cm-3, the thermal pressure was 20 pPa, and the velocity was 500 km/s in the x direction. The moderately high dynamic pressure confined the magnetotail to the high-grid resolution region. Even for these nominal solar wind parameters and steady driving the plasma sheet became turbulent. The power spectral densities and probability distribution functions computed from the simulations were comparable to those obtained from spacecraft observations. The largest scale vortices were associated with reconnection outflows and, in the southward IMF case, with the diversion of high speed flows in the near-Earth region. Both time and space domain analyses revealed that there were three scales present, the large scale of the driving processes, the intermediate inertial scale and the dissipative scale.

El-Alaoui, Mostafa↗

DOE OSTI2016

Quasielastic neutron scattering measurements and ab initio MD-simulations on single ion motions in molten NaF

The ionic stochastic motions in the molten alkali halide NaF are investigated by quasielastic neutron scattering and first principles molecular dynamics simulation. Quasielastic neutron scattering was employed to extract the diffusion behavior of the sodium ions in the melt. An extensive first principles based simulation on a box of up to 512 particles has been performed to complement the experimental data. From that large box, a smaller 64-particle box has then been simulated over a runtime of 60 ps. A good agreement between calculated and neutron data on the level of spectral shape has been obtained. The obtained sodium diffusion coefficients agree very well. The simulation predicts a fluorine diffusion coefficient similar to the sodium one. Applying the Nernst-Einstein equation, a remarkable large cross correlation between both ions can be deduced. The velocity cross correlations demonstrate a positive correlation between the ions over a period of 0.1 ps. That strong correlation is evidence that the unlike ions do not move completely statistically independent and have a strong association over a short period of time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

UV filters for lighting of plants

The wavelength dependent interaction of biological systems with radiation is commonly described by appropriate action spectra. Particularly effective plant responses are obtained for ultraviolet (UV) radiation. Excess shortwave UV-B radiation will induce genetic defects and plant damage. Besides the ecological discussion of the deleterious effects of the excess UV radiation there is increasing interest in horticultural applications of this spectral region. Several metabolic pathways leading to valuable secondary plant products like colors, odors, taste, or resulting in mechanical strength and vitality are triggered by UV radiation. Thus, in ecologically as well as in economically oriented experiments the exact generation and knowledge of the spectral irradiance, particularly near the UV absorption edge, is essential. The ideal filter 'material' to control the UV absorption edge would be ozone itself. However, due to problems in controlling the toxic and chemically aggressive, instable gas, only rather 'small ozone filters' have been realized so far. In artificial plant lighting conventional solid filter materials such as glass sheets and plastic foils (celluloseacetate or cellulosetriacetate) which can be easily handled have been used to absorb the UV-C and the excess shortwave UV-B radiation of the lamp emissions. Different filter glasses are available which provide absorption properties suitable for gradual changes of the spectral UV-B illumination of artificial lighting. Using a distinct set of lamps and filter glasses an acceptable simulation of the UV-B part of natural global radiation can be achieved. The aging of these and other filter materials under the extreme UV radiation in the lamphouse of a solar simulator is presently unavoidable. This instability can be dealt with only by a precise spectral monitoring and by replacing the filters accordingly. For this reason attempts would be useful to develop real ozone filters which can replace glass filters. In any case chamber experiments require a careful selection of the filter material used and must be accompanied by a continuous UV-B monitoring.

Doehring, T.↗

NASA NTRS1988

Results of a joint NOAA/NASA sounder simulation study

This paper presents the results of a joint NOAA and NASA sounder simulation study in which the accuracies of atmospheric temperature profiles and surface skin temperature measuremnents retrieved from two sounders were compared: (1) the currently used IR temperature sounder HIRS2 (High-resolution Infrared Radiation Sounder 2); and (2) the recently proposed high-spectral-resolution IR sounder AMTS (Advanced Moisture and Temperature Sounder). Simulations were conducted for both clear and partial cloud conditions. Data were analyzed at NASA using a physical inversion technique and at NOAA using a statistical technique. Results show significant improvement of AMTS compared to HIRS2 for both clear and cloudy conditions. The improvements are indicated by both methods of data analysis, but the physical retrievals outperform the statistical retrievals.

Phillips, N.↗

DOE OSTI2016

SU-F-I-53: Coded Aperture Coherent Scatter Spectral Imaging of the Breast: A Monte Carlo Evaluation of Absorbed Dose

Purpose: Coherent scatter based imaging has shown improved contrast and molecular specificity over conventional digital mammography however the biological risks have not been quantified due to a lack of accurate information on absorbed dose. This study intends to characterize the dose distribution and average glandular dose from coded aperture coherent scatter spectral imaging of the breast. The dose deposited in the breast from this new diagnostic imaging modality has not yet been quantitatively evaluated. Here, various digitized anthropomorphic phantoms are tested in a Monte Carlo simulation to evaluate the absorbed dose distribution and average glandular dose using clinically feasible scan protocols. Methods: Geant4 Monte Carlo radiation transport simulation software is used to replicate the coded aperture coherent scatter spectral imaging system. Energy sensitive, photon counting detectors are used to characterize the x-ray beam spectra for various imaging protocols. This input spectra is cross-validated with the results from XSPECT, a commercially available application that yields x-ray tube specific spectra for the operating parameters employed. XSPECT is also used to determine the appropriate number of photons emitted per mAs of tube current at a given kVp tube potential. With the implementation of the XCAT digital anthropomorphic breast phantom library, a variety of breast sizes with differing anatomical structure are evaluated. Simulations were performed with and without compression of the breast for dose comparison. Results: Through the Monte Carlo evaluation of a diverse population of breast types imaged under real-world scan conditions, a clinically relevant average glandular dose for this new imaging modality is extrapolated. Conclusion: With access to the physical coherent scatter imaging system used in the simulation, the results of this Monte Carlo study may be used to directly influence the future development of the modality to keep breast dose to a minimum while still maintaining clinically viable image quality.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

What happens to full-f gyrokinetic transport and turbulence in a toroidal wedge simulation?

Here, in order to save the computing time or to fit the simulation size into a limited computing hardware in a gyrokinetic turbulence simulation of a tokamak plasma, a toroidal wedge simulation may be utilized in which only a partial toroidal section is modeled with a periodic boundary condition in the toroidal direction. The most severe restriction in the wedge simulation is expected to be in the longest wavelength turbulence, i.e., ion temperature gradient (ITG) driven turbulence. The global full-f gyrokinetic code XGC1 is used to compare the transport and turbulence properties from a toroidal wedge simulation against the full torus simulation in an ITG unstable plasma in a model toroidal geometry. It is found that (1) the convergence study in the wedge number needs to be conducted all the way down to the full torus in order to avoid a false convergence, (2) a reasonably accurate simulation can be performed if the correct wedge number N can be identified, (3) the validity of a wedge simulation may be checked by performing a wave-number spectral analysis of the turbulence amplitude |δΦ| and assuring that the variation of δΦ between the discrete kθ values is less than 25% compared to the peak |δΦ|, and (4) a frequency spectrum may not be used for the validity check of a wedge simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Physics-based model of irradiation creep for ferritic materials under fusion energy operation conditions

Irradiation creep is known to be an important process for structural materials in nuclear environments, potentially leading to creep failure at temperatures where thermal creep is generally negligible. While there is a great deal of data for irradiation creep in steels and zirconium alloys in light water reactor conditions, much less is known for first wall materials under fusion energy conditions. Lacking suitable fusion neutron sources for detailed experimentation, modeling, and simulation can help bridge the dose-rate and spectral-effects gap and produce quantifiable expectations for creep deformation of first wall materials under standard fusion conditions. In this paper, we develop a comprehensive model for irradiation creep created from merging a crystal plasticity representation of the dislocation microstructure and a defect evolution simulator that accounts for the entire cluster dimensionality space. Both approaches are linked by way of a climb velocity that captures dislocation-biased defect absorption and a dislocation strengthening term that reflects the accumulation of defect clusters in the system. Here, we carry out our study in Fe under first wall fusion reactor conditions, characterized by a fusion neutron spectrum with average recoil energies of 20 keV and a damage dose rate of ≈3×10 –7 dpa/s at temperatures between 300 and 800 K.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Irradiation creep model for α-Fe: Dislocation climb in the presence of stress fields (Final Report)

Irradiation creep is known to be an important process for structural materials in nuclear environments, potentially leading to creep failure at temperatures where thermal creep is generally negligible. While there is a great deal of data for irradiation creep in steels and zirconium alloys in light water reactor conditions, much less is known for first wall materials under fusion energy conditions. Lacking suitable fusion neutron sources for detailed experimentation, modeling, and simulation can help bridge the dose-rate and spectral-effects gap and produce quantifiable expectations for creep deformation of first wall materials under standard fusion conditions. In this work, we present a comprehensive model for irradiation creep created from merging a crystal plasticity representation of the dislocation microstructure and a defect evolution simulator that accounts for the entire cluster dimensionality space. Both approaches are linked by way of a climb velocity that captures dislocation-biased defect absorption and a dislocation strengthening term that reflects the accumulation of defect clusters in the system. We carry out our study in Fe under first wall fusion reactor conditions, characterized by a fusion neutron spectrum at temperatures between 300 and 800°K.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Dense nanoimprinted silicon nanowire arrays with passivated axial p-i-n junctions for photovoltaic applications

We report on the fabrication and photovoltaic characteristics of vertical arrays of silicon axial p-i-n junction nanowire (NW) solar cells grown by vapor-liquid-solid (VLS) epitaxy. NW surface passivation with silicon dioxide shell is shown to enhance carrier recombination time, open-circuit voltage (V{sub OC}), short-circuit current density (J{sub SC}), and fill factor (FF). The photovoltaic performance of passivated individual NW and NW arrays was compared under 532 nm laser illumination with power density of ∼10 W/cm{sup 2}. Higher values of V{sub OC} and FF in the NW arrays are explained by enhanced light trapping. In order to verify the effect of NW density on light absorption and hence on the photovoltaic performance of NW arrays, dense Si NW arrays were fabricated using nanoimprint lithography to periodically arrange the gold seed particles prior to epitaxial growth. Compared to sparse NW arrays fabricated using VLS growth from randomly distributed gold seeds, the nanoimprinted NW array solar cells show a greatly increased peak external quantum efficiency of ∼8% and internal quantum efficiency of ∼90% in the visible spectral range. Three-dimensional finite-difference time-domain simulations of Si NW periodic arrays with varying pitch (P) confirm the importance of high NW density. Specifically, due to diffractive scattering and light trapping, absorption efficiency close to 100% in the 400–650 nm spectral range is calculated for a Si NW array with P = 250 nm, significantly outperforming a blanket Si film of the same thickness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Optimization of nonlinear turbulence in stellarators

We present new stellarator equilibria that have been optimized for reduced turbulent transport using nonlinear gyrokinetic simulations within the optimization loop. The optimization routine involves coupling the pseudo-spectral GPU-native gyrokinetic code GX with the stellarator equilibrium and optimization code DESC . Since using GX allows for fast nonlinear simulations, we directly optimize for reduced nonlinear heat fluxes. To handle the noisy heat flux traces returned by these simulations, we employ the simultaneous perturbation stochastic approximation (SPSA) method that only uses two objective function evaluations for a simple estimate of the gradient. We show several examples that optimize for both reduced heat fluxes and good quasi-symmetry as a proxy for low neoclassical transport. Finally, we run full transport simulations using the T3D stellarator transport code to evaluate the changes in the macroscopic profiles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

The effects of multispecies Hohlraum walls on stimulated Brillouin scattering, Hohlraum dynamics, and beam propagation

We report experiments and simulations have been conducted to investigate the efficacy of Ta 2 O 5 -lined Hohlraum walls at reducing stimulated Brillouin backscattering (SBS) as well as any subsequent effects on the Hohlraum dynamics and capsule implosions in indirect drive experiments at the National Ignition Facility. Using a 1.1 MJ 400 TW, 351 nm, shaped laser pulse, we measure a 5× reduction in SBS power in the peak of the pulse from the wall on the outer 50° cone beams. The SBS spectrum indicates a reduction in the high-Z spectral signature when using multispecies wall materials. Detailed hydrodynamic simulations were performed using different heat conduction models with flux limiters. Additional simulations were performed on the plasma maps using the 3D parallel paraxial code pF3D to compare backscatter powers between the pure Au and Ta 2 O 5 -lined Hohlraums. Further analysis, using hydrodynamically equivalent plasmas, shows that the SBS reduction is clearly a result of the added ion Landau damping caused by the oxygen ions and not from differences in plasma conditions. The experimental and simulation results also show an increase in the wall plasma expansion when using the Ta 2 O 5 liner leading to a 70% more oblate implosion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Particle-in-cell simulations of burning inertial confinement fusion capsule implosions

Anomalies observed in the neutron spectral shift of high-yield shots at the National Ignition Facility (NIF) suggest the presence of suprathermal ions [E. P. Hartouni et al., Nat. Phys. 19, 72 (2023)], implying that kinetic effects play a significant role in burning inertial confinement fusion (ICF) plasmas. Furthermore, recent measurements of reaction-in-flight (RIF) neutrons offer a direct probe of the stopping power in the burning fuel region of high-energy alpha particles and up-scattered fuel ions. We have developed the particle-in-cell code PICNIC, an exactly energy-conserving particle-in-cell Monte-Carlo collision (PIC-MCC) code to simulate the burn stage in ICF. We present results from 1D spherical simulations of NIF shot N210808, which was the first to exceed the Lawson criterion for laser fusion. We find that the suprathermal ions generated by large-angle Rutherford and nuclear elastic scattering (NES) with fusion alphas produce an alpha knock-on neutron (AKN) signal consistent with the extent and relative yield of the AKN spectrum identified in ignition experiments at the NIF. Furthermore, we also find that the inclusion of large-angle scattering physics does not explain the anomalously large spectral shift observed in the experiment.

High-energy-density plasmas↗

NASA NTRS1989

International Conference on Numerical Methods in Fluid Dynamics, 11th, Williamsburg, VA, June 27-July 1, 1988, Proceedings

Recent advances in computational fluid dynamics (CFD) are discussed in reviews and reports. Topics addressed include CFD models in plasma dynamics, parallel computation for simulation studies, CFD for hypersonic airbreathing aircraft, multigrid methods for the steady incompressible Navier-Stokes equations, upwind differencing techniques, TV stable schemes for shock-interacting flows, Euler models of hypersonic vortex flows, parallel multilevel adaptive methods, and vortex methods for slightly viscous three-dimensional flows. Consideration is given to the accuracy of node-based solutions on irregular meshes, multigrid calculations for cascades, a finite-volume-element method for planar cavity flow, parallel heterogeneous mesh refinement for advection-diffusion equations, the convergence of the spectral-viscosity method for nonlinear conservation laws, and numerical simulations of Taylor vortices in a spherical gap.

Dwoyer, D. L.↗

NASA NTRS2002

Software for Simulation of Hyperspectral Images

A package of software generates simulated hyperspectral images for use in validating algorithms that generate estimates of Earth-surface spectral reflectance from hyperspectral images acquired by airborne and spaceborne instruments. This software is based on a direct simulation Monte Carlo approach for modeling three-dimensional atmospheric radiative transport as well as surfaces characterized by spatially inhomogeneous bidirectional reflectance distribution functions. In this approach, 'ground truth' is accurately known through input specification of surface and atmospheric properties, and it is practical to consider wide variations of these properties. The software can treat both land and ocean surfaces and the effects of finite clouds with surface shadowing. The spectral/spatial data cubes computed by use of this software can serve both as a substitute for and a supplement to field validation data.

Richtsmeier, Steven C.↗

NASA NTRS2004

Simulation of Hyperspectral Images

A software package generates simulated hyperspectral imagery for use in validating algorithms that generate estimates of Earth-surface spectral reflectance from hyperspectral images acquired by airborne and spaceborne instruments. This software is based on a direct simulation Monte Carlo approach for modeling three-dimensional atmospheric radiative transport, as well as reflections from surfaces characterized by spatially inhomogeneous bidirectional reflectance distribution functions. In this approach, "ground truth" is accurately known through input specification of surface and atmospheric properties, and it is practical to consider wide variations of these properties. The software can treat both land and ocean surfaces, as well as the effects of finite clouds with surface shadowing. The spectral/spatial data cubes computed by use of this software can serve both as a substitute for, and a supplement to, field validation data.

Richsmeier, Steven C.↗

DOE OSTI2025

Programmable simulations of molecules and materials with reconfigurable quantum processors

Simulations of quantum chemistry and quantum materials are believed to be among the most important applications of quantum information processors. However, realizing practical quantum advantage for such problems is challenging because of the prohibitive computational cost of programming typical problems into quantum hardware. Here we introduce a simulation framework for strongly correlated quantum systems represented by model spin Hamiltonians that uses reconfigurable qubit architectures to simulate real-time dynamics in a programmable way. Our approach also introduces an algorithm for extracting chemically relevant spectral properties via classical co-processing of quantum measurement results. We develop a digital–analogue simulation toolbox for efficient Hamiltonian time evolution using digital Floquet engineering and hardware-optimized multi-qubit operations to accurately realize complex spin–spin interactions. As an example, we propose an implementation based on Rydberg atom arrays. In addition, we show how detailed spectral information can be extracted from the dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single dataset. To illustrate the approach, we show how to use the method to compute key properties of a polynuclear transition-metal catalyst and two-dimensional magnetic materials.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2014

High energy x-ray phase contrast CT using glancing-angle grating interferometers

Purpose: The authors present initial progress toward a clinically compatible x-ray phase contrast CT system, using glancing-angle x-ray grating interferometry to provide high contrast soft tissue images at estimated by computer simulation dose levels comparable to conventional absorption based CT. Methods: DPC-CT scans of a joint phantom and of soft tissues were performed in order to answer several important questions from a clinical setup point of view. A comparison between high and low fringe visibility systems is presented. The standard phase stepping method was compared with sliding window interlaced scanning. Using estimated dose values obtained with a Monte-Carlo code the authors studied the dependence of the phase image contrast on exposure time and dose. Results: Using a glancing angle interferometer at high x-ray energy (∼45 keV mean value) in combination with a conventional x-ray tube the authors achieved fringe visibility values of nearly 50%, never reported before. High fringe visibility is shown to be an indispensable parameter for a potential clinical scanner. Sliding window interlaced scanning proved to have higher SNRs and CNRs in a region of interest and to also be a crucial part of a low dose CT system. DPC-CT images of a soft tissue phantom at exposures in the range typical for absorption based CT of musculoskeletal extremities were obtained. Assuming a human knee as the CT target, good soft tissue phase contrast could be obtained at an estimated absorbed dose level around 8 mGy, similar to conventional CT. Conclusions: DPC-CT with glancing-angle interferometers provides improved soft tissue contrast over absorption CT even at clinically compatible dose levels (estimated by a Monte-Carlo computer simulation). Further steps in image processing, data reconstruction, and spectral matching could make the technique fully clinically compatible. Nevertheless, due to its increased scan time and complexity the technique should be thought of not as replacing, but as complimentary to conventional CT, to be used in specific applications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2014

Optical absorption of polar and semipolar InGaN/GaN quantum wells for blue to green converter structures

The optical absorption of indium gallium nitride (InGaN)/GaN multi quantum wells (QWs) is analyzed theoretically and experimentally. For different sample structures, either planar or three-dimensional, including QWs with different tilts relative to the (0001) plane of the wurtzite crystal, the room temperature absorption spectra were measured. We observe increasing absorption for larger indium content in the active zone and for increasing QW thickness. The semipolar structures with their reduced internal electric field are favorable with respect to the spectral absorption when compared with polar samples. Numerical k ⋅ p based simulations for quantum wells with variable thickness, indium content, and orientation are in accordance with the experimental results. By taking all QW energy eigenstates in all bands as well as the orientation dependent transition probabilities into account, the spectral absorption for arbitrary sample structures can be calculated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗