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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 757 records · Page 42
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DOE OSTI2016

Modified Dirac Hamiltonian for efficient quantum mechanical simulations of micron sized devices

Representing massless Dirac fermions on a spatial lattice poses a potential challenge known as the Fermion Doubling problem. Addition of a quadratic term to the Dirac Hamiltonian provides a possible way to circumvent this problem. We show that the modified Hamiltonian with the additional term results in a very small Hamiltonian matrix when discretized on a real space square lattice. The resulting Hamiltonian matrix is considerably more efficient for numerical simulations without sacrificing on accuracy and is several orders of magnitude faster than the atomistic tight binding model. Using this Hamiltonian and the non-equilibrium Green's function formalism, we show several transport phenomena in graphene, such as magnetic focusing, chiral tunneling in the ballistic limit, and conductivity in the diffusive limit in micron sized graphene devices. The modified Hamiltonian can be used for any system with massless Dirac fermions such as Topological Insulators, opening up a simulation domain that is not readily accessible otherwise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Optimisation of the optical scheme of a compact double-pass Nd : YAG amplifier for range finding

It is shown that the use of misalignment and a divergent incident beam in a double-pass Nd : YAG amplifier of a master oscillator – amplifier system used in ranger finding makes it possible both to increase the output pulse energy and to improve the output beam quality. The misalignment suppresses the amplifier self-excitation caused by a finite contrast of the output polariser. The use of a divergent incident beam allows one to increase the efficiency of energy extraction from the amplifier and to decrease the vignetting effect. The experimental results agree with the results of numerical simulation. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The thermal pressure distribution of a simulated cold neutral medium

We numerically study the thermal pressure distribution in a gas with thermal properties similar to those of the cold neutral interstellar gas by analyzing three-dimensional hydrodynamic models in boxes with sides of 100 pc with turbulent compressible forcing at 50 pc and different Mach numbers. We find that at high pressures and for large Mach numbers, both the volume-weighted and the density-weighted distributions can be appropriately described by a log-normal distribution, whereas for small Mach numbers they are better described by a power law. Thermal pressure distributions resulting from similar simulations but with self-gravity differ only for low Mach numbers; in this case, they develop a high pressure tail.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Comparison of two-fluid and gyrokinetic models for kinetic Alfvén waves in solar and space plasmas

An analytical comparative study of a two-fluid and a gyrokinetic model of kinetic Alfvén waves (KAWs) is presented for various solar and space plasma environments. Based on the linear KAW dispersion relation for gyrokinetics (Howes et al. 2006), the wave group velocity and electromagnetic polarizations are obtained analytically. Then the gyrokinetic wave properties are compared with those of the two-fluid model. The results show that both models agree well with each other not only in the long wavelength regime (>> the ion gyroradius ρ {sub i}) for all cases considered, but also in wavelengths ∼ρ {sub i} and <<ρ {sub i} (still much larger than the electron gyroscale) for a moderate or low (≲ 1) and a high (>>1) ion/electron temperature ratio T {sub 0i}/T {sub 0e}, respectively. However, the fluid model calculations deviate strongly from the gyrokinetic model at scales <ρ {sub i} for a relatively low T {sub 0i}/T {sub 0e} due to the electron gyroradius effect. Meanwhile, the plasma β {sub i} can make the gyrokinetic dispersion relation of KAWs become complex and sometimes have an oscillation-like structure. With the inherent simplicity of the fluid theory, these results may improve our understanding of the applicability of the two-fluid model, and may have important implications for computer simulation studies of KAWs in the solar and space plasma surroundings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Stripped elliptical galaxies as probes of ICM physics. II. Stirred, but mixed? Viscous and inviscid gas stripping of the Virgo elliptical M89

Elliptical galaxies moving through the intracluster medium (ICM) are progressively stripped of their gaseous atmospheres. X-ray observations reveal the structure of galactic tails, wakes, and the interface between the galactic gas and the ICM. This fine-structure depends on dynamic conditions (galaxy potential, initial gas contents, orbit in the host cluster), orbital stage (early infall, pre-/post-pericenter passage), as well as on the still ill-constrained ICM plasma properties (thermal conductivity, viscosity, magnetic field structure). Paper I describes flow patterns and stages of inviscid gas stripping. Here we study the effect of a Spitzer-like temperature dependent viscosity corresponding to Reynolds numbers, Re, of 50–5000 with respect to the ICM flow around the remnant atmosphere. Global flow patterns are independent of viscosity in this Reynolds number range. Viscosity influences two aspects. In inviscid stripping, Kelvin–Helmholtz instabilities (KHIs) at the sides of the remnant atmosphere lead to observable horns or wings. Increasing viscosity suppresses KHIs of increasing length scale and thus observable horns and wings. Furthermore, in inviscid stripping, stripped galactic gas can mix with the ambient ICM in the galaxy’s wake. This mixing is suppressed increasingly with increasing viscosity, such that viscously stripped galaxies have long X-ray bright, cool wakes. We provide mock X-ray images for different stripping stages and conditions. While these qualitative results are generic, we tailor our simulations to the Virgo galaxy M89 (NGC 4552), where Re≈50 corresponds to a viscosity of 10% of the Spitzer level. Paper III compares new deep Chandra and archival XMM-Newton data to our simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Intermittency and alignment in strong RMHD turbulence

We develop an analytic model of intermittent, three-dimensional, strong, reduced magnetohydrodynamic (RMHD) turbulence with zero cross helicity. We take the fluctuation amplitudes to have a log-Poisson distribution and incorporate into the model a new phenomenology of scale-dependent dynamic alignment between the Elsässer variables z{sup ±}. We find that the structure function 〈|Δz{sub λ}{sup ±}|{sup n}〉 scales as λ{sup 1−β{sup n}}, where Δz{sub λ}{sup ±} is the variation in z{sup ±} across a distance λ perpendicular to the magnetic field. We calculate the value of β to be ≃ 0.69 based on our assumption that the most intense coherent structures are two-dimensional with a volume filling factor ∝ λ. Two consequences of this structure-function scaling are that the total-energy power spectrum is ∝ k{sub ⊥}{sup −1.52} and the kurtosis of the fluctuations is ∝ λ{sup −0.27}. Our model resolves the problem that alignment angles defined in different ways exhibit different scalings. Specifically, we find that the energy-weighted average angle between the velocity and magnetic-field fluctuations is ∝ λ{sup 0.21}, the energy-weighted average angle between Δz{sup +} and Δz{sup −} is ∝ λ{sup 0.10}, and the average angle between Δz{sup +} and Δz{sup −} without energy weighting is ∝ [ln(L/λ)]{sup −1/2} when L/λ≫1, where L is the outer scale. We also carry out a direct numerical simulation of RMHD turbulence. The scalings in our model are similar to the scalings in this simulation as well as the structure-function scalings observed in the slow solar wind.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Persistent gravitational radiation from glitching pulsars

Quantum mechanical simulations of neutron star rotational glitches, triggered by vortex avalanches in the superfluid stellar interior, reveal that vortices pin nonaxisymmetrically to the crust during the intervals between glitches. Hence a glitching neutron star emits a persistent current quadrupole gravitational wave signal at the star’s rotation frequency, whose interglitch amplitude is constant and determined by the avalanche history since birth. The signal can be detected in principle by coherent searches planned for the Laser Interferometer Gravitational Wave Observatory (LIGO), whether or not a glitch occurs during the observation, if the power-law distribution of glitch sizes extends up to ΔΩ{sub max}/Ω≳10{sup −6}η{sup −1}(Δϕ){sup −1}(Ω/10{sup 3} rad s{sup −1}){sup −3}(D/1 kpc) in the targeted object, where ΔΩ{sub max} and Δϕ are the largest angular velocity jump and avalanche opening angle, respectively, to have occurred in a glitch since birth, Ω is the angular velocity at present, η is the crustal fraction of the moment of inertia, and D is the distance from the Earth. A major caveat concerning detectability is whether the nonaxisymmetries observed in existing simulations with ≲10{sup 3} vortices extrapolate to realistic neutron stars with ≳10{sup 15} vortices. The arguments for and against extrapolation are discussed critically in the context of avalanche dynamics in self-organized critical systems, but the issue cannot be resolved without larger simulations and tighter observational limits on ηΔϕΔΩ{sub max} from future LIGO (non)detections and radio timing campaigns.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

VOLATILE LOSS AND CLASSIFICATION OF KUIPER BELT OBJECTS

Observations indicate that some of the largest Kuiper Belt Objects (KBOs) have retained volatiles in the gas phase (e.g., Pluto), while others have surface volatiles that might support a seasonal atmosphere (e.g., Eris). Since the presence of an atmosphere can affect their reflectance spectra and thermal balance, Schaller and Brown examined the role of volatile escape driven by solar heating of the surface. Guided by recent simulations, we estimate the loss of primordial N{sub 2} for several large KBOs, accounting for escape driven by UV/EUV heating of the upper atmosphere as well as by solar heating of the surface. For the latter we present new simulations and for the former we scale recent detailed simulations of escape from Pluto using the energy limited escape model validated recently by molecular kinetic simulations. Unlike what has been assumed to date, we show that unless the N{sub 2} atmosphere is thin (<∼10{sup 18} N{sub 2} cm{sup −2}) and/or the radius small (<∼200–300 km), escape is primarily driven by the UV/EUV radiation absorbed in the upper atmosphere. This affects the discussion of the relationship between atmospheric loss and the observed surface properties for a number of the KBOs examined. Our long-term goal is to connect detailed atmospheric loss simulations with a model for volatile transport for individual KBOs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Technical Note: Experimental carbon ion range verification in inhomogeneous phantoms using prompt gammas

Purpose: The purpose of this study was to experimentally assess the possibility to monitor carbon ion range variations—due to tumor shift and/or elongation or shrinking—using prompt-gamma (PG) emission with inhomogeneous phantoms. Such a study is related to the development of PG monitoring techniques to be used in a carbon ion therapy context. Methods: A 95 MeV/u carbon ion beam was used to irradiate phantoms with a variable density along the ion path to mimic the presence of bone and lung in homogeneous humanlike tissue. PG profiles were obtained after a longitudinal scan of the phantoms. A setup comprising a narrow single-slit collimator and two detectors placed at 90° with respect to the beam axis was used. The time of flight technique was applied to allow the selection between PG and background events. Results: Using the positions at 50% entrance and 50% falloff of the PG profiles, a quantity called prompt-gamma profile length (PGPL) is defined. It is possible to observe shifts in the PGPL when there are absolute ion range shifts as small as 1–2 mm. Quantitatively, for an ion range shift of −1.33 ± 0.46 mm (insertion of a Teflon slab), a PGPL difference of −1.93 ± 0.58 mm and −1.84 ± 1.27 mm is obtained using a BaF{sub 2} and a NaI(Tl) detector, respectively. In turn, when an ion range shift of 4.59 ± 0.42 mm (insertion of a lung-equivalent material slab) is considered, the difference is of 4.10 ± 0.54 and 4.39 ± 0.80 mm for the same detectors. Conclusions: Herein, experimental evidence of the usefulness of employing PG to monitor carbon ion range using inhomogeneous phantoms is presented. Considering the homogeneous phantom as reference, the results show that the information provided by the PG emission allows for detecting ion range shifts as small as 1–2 mm. When considering the expected PG emission from an energy slice in a carbon ion therapy scenario, the experimental setup would allow to retrieve the same PGPL as the high statistics of the full experimental dataset in 58% of the times. However, this success rate increases to 93% when using a better optimized setup by means of Monte Carlo simulations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Sci-Thur PM – Brachytherapy 01: Fast brachytherapy dose calculations: Characterization of egs-brachy features to enhance simulation efficiency

Purpose: egs-brachy is a fast, new EGSnrc user-code for brachytherapy applications. This study characterizes egs-brachy features that enhance simulation efficiency. Methods: Calculations are performed to characterize efficiency gains from various features. Simulations include radionuclide and miniature x-ray tube sources in water phantoms and idealized prostate, breast, and eye plaque treatments. Features characterized include voxel indexing of sources to reduce boundary checks during radiation transport, scoring collision kerma via tracklength estimator, recycling photons emitted from sources, and using phase space data to initiate simulations. Bremsstrahlung cross section enhancement (BCSE), uniform bremsstrahlung splitting (UBS), and Russian Roulette (RR) are considered for electronic brachytherapy. Results: Efficiency is enhanced by a factor of up to 300 using tracklength versus interaction scoring of collision kerma and by up to 2.7 and 2.6 using phase space sources and particle recycling respectively compared to simulations in which particles are initiated within sources. On a single 2.5 GHz Intel Xeon E5-2680 processor cor, simulations approximating prostate and breast permanent implant ((2 mm){sup 3} voxels) and eye plaque ((1 mm){sup 3}) treatments take as little as 9 s (prostate, eye) and up to 31 s (breast) to achieve 2% statistical uncertainty on doses within the PTV. For electronic brachytherapy, BCSE, UBS, and RR enhance efficiency by a factor >2000 compared to a factor of >10{sup 4} using a phase space source. Conclusion: egs-brachy features provide substantial efficiency gains, resulting in calculation times sufficiently fast for full Monte Carlo simulations for routine brachytherapy treatment planning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Peculiarities of the Self-Action of Inclined Wave Beams Incident on a Discrete System of Optical Fibers

Based on a discrete nonlinear Schrödinger equation (DNSE), we studied analytically and numerically the peculiarities of the self-action of one-dimensional quasi-optic wave beams injected into a spatially inhomogeneous medium consisting of a set of equidistant mutually coupled optical fibers. A variational approach allowing the prediction of the global evolution of localized fields with the initially plane phase front was developed. The self-consistent equations are obtained for the main parameters of such beams (the position of the center of mass, the effective width, and linear and quadratic phase-front corrections) in the aberrationless approximation. The case of radiation incident on a periodic system of nonlinear optical fibers at an angle to the axis oriented along them is analyzed in detail. It is shown that for the radiation power exceeding a critical value, the self-focusing of the wave field is observed, which is accompanied by the shift of the intensity maximum followed by the concentration of the main part of radiation only in one of the structural elements of the array under study. In this case, the beams propagate along paths considerably different from linear and the direction of their propagation changes compared to the initial direction. Asymptotic expressions are found that allow us to estimate the self-focusing length and to determine quite accurately the final position of a point with the maximum field amplitude after radiation trapping a channel. The results of the qualitative study of the possible self-channeling regimes for wave beams in a system of weakly coupled optical fibers in the aberrationless approximation are compared with the results of direct numerical simulations within the DNSE framework.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Effect of a DC external electric field on the properties of a nonuniform microwave discharge in hydrogen at reduced pressures

The effect of a dc external electrical field on the properties of a highly nonuniform electrode microwave discharge in hydrogen at a pressure of 1 Torr was studied using optical emission spectroscopy and selfconsistent two-dimensional simulations. It is shown that the negative voltage applied to the antenna electrode with respect to the grounded chamber increases the discharge radiation intensity, while the positive voltage does not affect the discharge properties. The simulation results agree well with the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Interfacing VPSC with finite element codes. Demonstration of irradiation growth simulation in a cladding tube

This Milestone report shows good progress in interfacing VPSC with the FE codes ABAQUS and MOOSE, to perform component-level simulations of irradiation-induced deformation in Zirconium alloys. In this preliminary application, we have performed an irradiation growth simulation in the quarter geometry of a cladding tube. We have benchmarked VPSC-ABAQUS and VPSC-MOOSE predictions with VPSC-SA predictions to verify the accuracy of the VPSCFE interface. Predictions from the FE simulations are in general agreement with VPSC-SA simulations and also with experimental trends.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

High Fidelity BWR Fuel Simulations

This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 milestone THM.CFD.P13.03: High Fidelity BWR Fuel Simulation. High fidelity computational fluid dynamics (CFD) simulation for Boiling Water Reactor (BWR) was conducted to investigate the applicability and robustness performance of BWR closures. As a preliminary study, a CFD model with simplified Ferrule spacer grid geometry of NUPEC BWR Full-size Fine-mesh Bundle Test (BFBT) benchmark has been implemented. Performance of multiphase segregated solver with baseline boiling closures has been evaluated. Although the mean values of void fraction and exit quality of CFD result for BFBT case 4101-61 agreed with experimental data, the local void distribution was not predicted accurately. The mesh quality was one of the critical factors to obtain converged result. The stability and robustness of the simulation was mainly affected by the mesh quality, combination of BWR closure models. In addition, the CFD modeling of fully-detailed spacer grid geometry with mixing vane is necessary for improving the accuracy of CFD simulation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Neutrino signal of collapse-induced thermonuclear supernovae: the case for prompt black hole formation in SN 1987A

Collapse-induced thermonuclear explosion (CITE) may explain core-collapse supernovae (CCSNe). We analyze the neutrino signal in CITE and compare it to the neutrino burst of SN 1987A. For strong (≳10{sup 51} erg) CCSNe, such as SN 1987A, CITE predicts a proto-neutron star (PNS) accretion phase lasting up to a few seconds that is cut off by black hole (BH) formation. The neutrino luminosity can later be revived by accretion disk emission after a dead time of a few to a few tens of seconds. In contrast, the neutrino mechanism for CCSNe predicts a short (≲s) PNS accretion phase, followed by slowly declining PNS cooling luminosity. We repeat statistical analyses used in the literature to interpret the neutrino mechanism, and apply them to CITE. The first 1–2 s of the neutrino burst are equally compatible with CITE and with the neutrino mechanism. However, the data points toward a luminosity drop at t = 2–3 s, which is in some tension with the neutrino mechanism but can be naturally attributed to BH formation in CITE. The occurrence of neutrino signal events at 5 s suggests that, within CITE, the accretion disk formed by that time. We perform two-dimensional numerical simulations showing that CITE may be able to accommodate this disk formation time while reproducing the ejected {sup 56}Ni mass and ejecta kinetic energy within factors of 2–3 of observations. We estimate the accretion disk neutrino luminosity, finding it to be on the low side but compatible with the data to a factor of 10. Given comparable uncertainties in the disk luminosity simulation, we conclude that direct BH formation may have occurred in SN 1987A.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

General-relativistic three-dimensional multi-group neutrino radiation-hydrodynamics simulations of core-collapse supernovae

We report on a set of long-term general-relativistic three-dimensional (3D) multi-group (energy-dependent) neutrino radiation-hydrodynamics simulations of core-collapse supernovae. We employ a full 3D two-moment scheme with the local M1 closure, three neutrino species, and 12 energy groups per species. With this, we follow the post-core-bounce evolution of the core of a nonrotating 27-M{sub ⊙} progenitor in full unconstrained 3D and in octant symmetry for ≳380 ms. We find the development of an asymmetric runaway explosion in our unconstrained simulation. We test the resolution dependence of our results and, in agreement with previous work, find that low resolution artificially aids explosion and leads to an earlier runaway expansion of the shock. At low resolution, the octant and full 3D dynamics are qualitatively very similar, but at high resolution, only the full 3D simulation exhibits the onset of explosion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A PRECISE determination of the mid-infrared interstellar extinction law based on the Apogee spectroscopic survey

A precise measure of the mid-infrared interstellar extinction law is crucial for investigating the properties of interstellar dust, especially larger-sized grains. Based on the stellar parameters derived from the SDSS-III/Apache Point Observatory Galaxy Evolution Experiment (APOGEE) spectroscopic survey, we select a large sample of G-type and K-type giants as the tracers of the Galactic mid-infrared extinction. We calculate the intrinsic stellar color excesses from the stellar effective temperatures and use them to determine the mid-infrared extinction for a given line of sight. For the entire sky of the Milky Way surveyed by APOGEE, we derive the extinctions (relative to A{sub K{sub S}}, the K {sub S}-band extinction at wavelength λ = 2.16 μm) for the four Wide-field Infrared Survey Explorer (WISE) bands at 3.4, 4.6, 12, and 22 μm, the four Spitzer/Infrared Array Camera bands at 3.6, 4.5, 5.8, and 8 μm, the Spitzer/MIPS24 band at 23.7 μm, and, for the first time, the AKARI/S9W band at 8.23 μm. Our results agree with previous works in that the extinction curve is flat in the ∼3–8 μm wavelength range and is generally consistent with the R{sub V} = 5.5 model curve, except our determination exceeds the model prediction in the WISE/W4 band. Although some previous works found that the mid-IR extinction law appears to vary with the extinction depth A{sub K{sub S}}, no noticeable variation has been found in this work. The uncertainties are analyzed in terms of the bootstrap resampling method and Monte-Carlo simulation and are found to be rather small.

79 ASTRONOMY AND ASTROPHYSICS↗