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At least 505 records · Page 28

Turbulent-convective block for the ASTRA transport code

A physical model for the enhanced transport code is presented, which explicitly takes into account the contribution of turbulent convection to the processes of particle and heat transport in the hot core of the tokamak plasma. The model is based on the specially developed CONTRA-A turbulent block, while an adapted version of the existing ASTRA transport code is used as a transport envelope. The CONTRA-A turbulent block, based on the adiabatically reduced quasi-2D magnetohydrodynamic equations, calculates the generation and self-consistent evolution of low-frequency turbulence, including the spatiotemporal structure of turbulent fluctuations of the plasma velocity, density, and temperatures of electrons and ions. Using the obtained data on fluctuations, the CONTRA-A block calculates the turbulent-convective particle and heat fluxes and transfers them to the modified ASTRA code, which computes the evolution of quasi-equilibrium plasma parameters. To illustrate the capabilities of the enhanced transport model, the results of simulations of turbulent plasma evolution in two discharge scenarios with nonstationary auxiliary plasma heating in the T-10 and T-15MD tokamaks are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predictive LES Modeling and Validation of High-Pressure Turbulent Flames and Flashback in Hydrogen-enriched Gas Turbines

The overall objective of this project is to make advances in large-eddy simulation modeling of swirl-flame flashback at elevated pressure, where the reactants can be premixed or stratified, and composed of methane enriched with hydrogen. The modeling effort was conducted with a companion experimental validation effort that focused on high-speed measurements of flashback in a model swirl-flame combustor. The modeling effort focused on the development of manifold-based combustion model for flashback simulations. The main complexity in this configuration comes from the flames’ propagation through a stratified fuel-air mixture along with heat loss near the walls. For this purpose, a non-adiabatic flamelet model was developed and tested using canonical flow configurations. Further, extensive validation in premixed configurations is used to establish the model’s accuracy in capturing heat loss and flame propagation. Finally, the model was tested using the UT flame flashback experiment, and was shown to accurately capture the flame flashback process. The end products from this work are a) a full validated flameout-based approach for modeling flame flashback; b) a complete implementation of the model in the open source OpenFOAM framework, which has been made available to both industry and academia; c) an extensive suite of validation studies performed using the OpenFOAM solver. In addition, new techniques for flame modeling, subfilter modeling of scalars, and simulation of low Mach number flows were developed and tested. In the experimental validation effort, flashback was studied in a premixed and stratified swirl flame by using high-speed imaging diagnostics. Fuels tested included CH 4 enriched with H 2 , with H 2 enrichment up to 84% by volume. These flashback experiments are conducted at pressures ranging from 1 to 5 atm. A swirler-based fuel-injection system was used to create the fuel-air stratification in the radial direction. For the high-pressure measurements, an optically accessible elevated pressure chamber was used. The spatial distribution of the equivalence ratio under non-reacting conditions was characterized using planar laser-induced fluorescence with acetone as the fuel tracer. It was observed that fuel-air pockets were distributed across the mixing tube width, although in an average sense, the fuel-air mixture was radially stratified. The global behavior of upstream flame propagation was investigated for different levels of hydrogen-enrichment. For stratified hydrogen-rich flashback, the propagation path of the flame changed from the inner wall to outer wall, which was induced by the faster chemistry of stoichiometric mixtures that are frequently present near the outer wall. This behavior of hydrogen-rich flashback persists even at elevated pressures up to 5 atm, although the propagation of the flame occurs as a wide flame tongue as opposed to the acute-tipped flame structures present in the atmospheric cases. The end product of the experimental effort is greatly improved knowledge of flashback physics and a unique database that can be used for model validation.

08 HYDROGEN↗

Factors which influence the development of a low-level jet and coastal cyclogenesis

Mesoscale model simulations were run to examine the mechanisms which generate a low-level jet (LLJ) and the sea-level pressure decrease (SLPD) associated with secondary cyclogenesis along the East Coast of the U.S. Data collected during the Presidents' Day cyclone of February 18-19, 1979 are reviewed, including the behavior of the LLJ preceding cyclogenesis. The simulations covered adiabatic conditions, the absence and presence of latent heating, and the inclusion of all physical parameters with and without computations of boundary layer phenomena, 60-km grid-scale precipitation, and convective precipitation. The results indicate that synergistic reactions among the LLJ, latent heat release, jet-induced circulation, and boundary layer processes are necessary to account for secondary cyclogenesis and the accompanying rapidly evolving mass, momentum and moisture fields.

Uccellini, Louis W.↗

Assessment of metadynamic recrystallization in single copper particle impacts by focused ion beam tomography

We study single Cu-on-Cu impacts relevant to cold spray deposition and quantitatively analyze the metadynamic recrystallization (mDRX) that takes place after the impact by virtue of lingering impact adiabatic heat. Unlike prior studies, the current full 3D tomographic analysis of the mDRX volume shows that mDRX is extremely common in such impacts, although it is often missed when examining 2D sections. We also report an unexpected trend: there is a “sour spot” for mDRX at velocities about 20–40 % above the velocity for particle adhesion. This non-monotonic trend is contrary to the expectations based on increasing adiabatic heating with velocity. With a schematic model, we show that the trend can be explained on the basis of heat transfer: cooling of the heat-affected region is limited by transport through the bonded regions at the particle-substrate interface. Thus, bonding has a prominent role in the heat dissipation process and the best bonded particles most rapidly bulk quench, avoiding mDRX. Here, the developed semi-empirical model aligns with the experimental findings and may help inform microstructural evolution during cold spray and post-spray processing.

FIB-SEM tomography↗

Bimodal hole transport in bulk BiVO 4 from computation

We report first principles and mesoscale kinetic simulations of intrinsic electron and hole transport in stoichiometric monoclinic BiVO 4 (BVO). A main finding is that hole transport is bimodal: there are fast hole hops within VO 4 tetrahedra that are not ‘transport-efficient’ and slower hole hops across VO 4 tetrahedra that are ‘transport-efficient’. This bimodality in hole transport may explain the slow transport/high recombination characteristics of BVO. In this work, polaron hops were described via the two-state Marcus/Holstein model of V V –V IV and O I –O II interchanges for electron and hole polarons respectively. The relevant parameters in the theory were obtained using the density functional theory DFT+U method. Hopping activation energies were combined with Einstein diffusion theory to yield mobility as well as with kinetic Monte Carlo (KMC) modeling. All unique nearest neighbor electron and hole hopping processes were characterized. For V-to-V hops of electron polarons, we obtained activation energies of ~0.37 eV that compare well with the experimental activation energy of ~0.30 eV for drift mobility. Electron polarons remain localized on single sites along the hopping pathways before hopping via tunneling, suggestive of small non-adiabatic coupling and a diabatic character consistent with V-to-V electron transfer through space (no bridge linkers). These simulations yield a small electron transport anisotropy, with transport in the (a,b) plane being faster than along the c direction by a factor of ~2. For hole polarons our calculations support the character of small polarons localized on O atoms as well. Some nearest neighbor hole hops have a diabatic character, while other nearest neighbor hops are adiabatic and phonon-assisted with an Arrhenius thermal dependence. Hops through O–V–O bridges and through space have low activation barriers (~0.17 eV and ~0.25 eV) while hops through O–Bi–O bridges have higher activation barriers (~0.37 eV and higher). The mobility is gated by the slower transport across VO 4 tetrahedra through O–Bi–O bridges owing to the underlying BVO lattice network. Hole mobility is determined to be about one order of magnitude larger than electron mobility consistent with THz spectroscopy measurements. Here, this work sets the foundation to address facet selectivity of charge carriers in shape and size-tailored crystals.

36 MATERIALS SCIENCE↗

Volumetric measurement of tank volume

A method is disclosed for determining the volume of compressible gas in a system including incompressible substances in a zero-gravity environment consisting of measuring the change in pressure (delta P) for a known volume change rate (delta V/delta t) in the polytrophic region between isothermal and adiabatic conditions. The measurements are utilized in an idealized formula for determining the change in isothermal pressure (delta P sub iso) for the gas. From the isothermal pressure change (delta iso) the gas volume is obtained. The method is also applicable to determination of gas volume by utilizing work (W) in the compression process. In a passive system, the relationship of specific densities can be obtained.

Walter, Richard T.↗

Passive gas-gap heat switch for adiabatic demagnetization refrigerator

A passive gas-gap heat switch for use with a multi-stage continuous adiabatic demagnetization refrigerator (ADR). The passive gas-gap heat switch turns on automatically when the temperature of either side of the switch rises above a threshold value and turns off when the temperature on either side of the switch falls below this threshold value. One of the heat switches in this multistage process must be conductive in the 0.25? K to 0.3? K range. All of the heat switches must be capable of switching off in a short period of time (1-2 minutes), and when off to have a very low thermal conductance. This arrangement allows cyclic cooling cycles to be used without the need for separate heat switch controls.

Shirron, Peter J.↗

Two-photon photoassociation spectroscopy of an ultracold heteronuclear molecule

In this work, we report on two-photon photoassociation (PA) spectroscopy of ultracold heteronuclear LiRb molecules. This is used to determine the binding energies of the loosely bound levels of the electronic ground singlet and the lowest triplet states of LiRb. We observe strong two-photon PA lines with power broadened linewidths greater than 20 GHz at relatively low laser intensity of 30W/cm2. The implication of this observation on direct atom to molecule conversion using stimulated Raman adiabatic passage is discussed and the prospect for electronic ground-state molecule production is theoretically analyzed.

74 ATOMIC AND MOLECULAR PHYSICS↗

Energetics of a sudden stratospheric warming simulated with a three-dimensional, spectral, quasi-geostrophic model

The energetics of a three dimensional, quasi-geostrophic simulation of a sudden stratospheric warming which developed spontaneously during an annual cycle simulation are described. Daily values of the stratospheric temperatures, zonal winds, heating rates, energies, and energy conversions are discussed and compared with those for observed warmings. It is shown that, like observed warmings, the simulated warming was preceded by an increased vertical flux of eddy kinetic energy from the troposphere and the polar heating resulted because of the strong convergence of the horizontal, eddy heat flux which was only partially balanced by adiabatic and diabatic cooling. There is a significant similarity between the energetics of the simulated and observed warmings. In addition, the warming was spontaneous and the model did not develop a major warming in each winter of the simulation. These facts suggest that this model may be useful for studying not only the warming process but also the conditions that favor its development.

Haggard, K. V.↗

The dynamics of the Venus ionosphere. II - The effects of the time scale of the solar wind dynamic pressure variations

The effects on the upper dayside Venus ionosphere of a slow increase in solar wind dynamic pressure are simulated numerically with a one-dimensional (spherically symmetric) Lagrangian hydrodynamical code. The simulation is started with an extended ionosphere in pressure equilibrium with the solar wind at the ionopause. The pressure at the ionopause is gradually increased to five times the initial pressure with rise times of 5, 15, and 30 min. It is found that, for rise times greater than about 10 min, the compression of the ionopause is nearly adiabatic, with the ionopause moving downward at velocities of approximately 1-2 km/sec until it reaches a maximally compressed state, at which time the motion reverses. For short rise times the compression produces a shock wave similar to that occurring in the case of a sudden increase in pressure. The global implications of these processes are discussed within the context of Pioneer Venus observations and future theoretical work on this problem is outlined.

Stein, R. F.↗

Energetic and Electronic Properties of UX +/0/– for X = Li and Be and Comparison of the Properties of the Uranium Atom Binding to 2nd Row Elements Li–F

The bonding and spectroscopic properties of ULi +/0/– and UBe +/0/– to complete the series for UX +/0/– for X = Li to F were investigated by high-level ab initio SO-CASPT2 and CCSD(T) electronic structure calculations. The low-lying spin–orbit states were obtained at the SA-CASPT2/aQ-PP level; bond dissociation energies (BDEs), ionization energies (IEs), adiabatic electronic affinities (AEAs), and vertical detachment energies (VDEs) were calculated at the Feller-Peterson-Dixon (FPD) level. A dense manifold of low-lying states was predicted for ULi +/0/– and UBe +/0/– . Here, the calculated BDEs for ULi (37.7 kJ/mol) and UBe (8.0 kJ/mol) show that UBe is weakly bound. For redox processes, the BDEs increased for ULi + (109.3 kJ/mol), ULi – (47.4 kJ/mol), UBe + (35.6 kJ/mol), and UBe – (72.3 kJ/mol). The IE(ULi) = 4.650 eV is lower than IE(Li); the IE(UBe) = 5.901 eV is close to the IE(U) and to the IEs of UB, UC, UN, UO, and UF. The AEAs of ULi (0.708 eV) and UBe (0.989 eV) are lower than those for UB, UC, UN, and UO but higher than that for EA(UF). Natural bond orbital (NBO) calculations show that ULi has the 5f 3 6d 1 7s 2 configuration for U and 2s 1 for Li, with a small partial negative charge slightly delocalized on U. UBe arises from the U(5f 3 6d 1 7s 2 ) and Be(2s 2 ) electron configurations with no charge separation. The same calculations were made for WX (X = Li, Be, C–F) to enable detailed comparisons of the properties for UX with WX (X = Li–F). For WX, BDE(WX) is higher than that for UX for X = Li to N and lower than BDE(UX) for X = O and F, mostly due to the higher IE of W than U as ionic character becomes more important going from Li to F.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Anion A– • HX Clusters with Reduced Electron Binding Energies: Proton vs Hydrogen Atom Relocation Upon Electron Detachment

Clustering an anion with one or more neutral molecules is a stabilizing process that enhances the oxidation potential of the complex relative to the free ion. Several hydrogen bond clusters (i.e., A— • HX, where A— = H2PO4— and CF3CO2— and HX = MeOH, PhOH, and Me2NOH or Et2NOH) are examined by photoelectron spectroscopy and M06-2X and CCSD(T) computations. Remarkably, these species are experimentally found to have adiabatic detachment energies that are smaller than those for the free ion and reductions of 0.47 to 1.87 eV are predicted computationally. Hydrogen atom and proton transfers upon vertical photodetachment are two limiting extremes on the neutral surface in a continuum of mechanistic pathways that account for these results, and the whole gamut of possibilities are predicted to occur.

Environmental Molecular Sciences Laboratory↗

MULTI-WAVELENGTH EMISSION FROM THE FERMI BUBBLE. III. STOCHASTIC (FERMI) RE-ACCELERATION OF RELATIVISTIC ELECTRONS EMITTED BY SNRs

We analyze the model of stochastic re-acceleration of electrons that are emitted by supernova remnants (SNRs) in the Galactic Disk and then propagate into the Galactic Halo in order to explain the origin of nonthermal (radio and gamma-ray) emission from Fermi bubbles (FB). We assume that the energy for re-acceleration in the Halo is supplied by shocks generated by processes of star accretion onto the central black hole. Numerical simulations show that regions with strong turbulence (places for electron re-acceleration) are located high up in the Galactic Halo several kpc above the disk. The energy of the SNR electrons that reach these regions does not exceed several GeV due to synchrotron and inverse Compton energy losses. At appropriate parameters of re-acceleration these electrons can be re-accelerated up to an energy of 10{sup 12} eV, which explains in this model the origin of the observed radio and gamma-ray emission from the FB. However, although the model gamma-ray spectrum is consistent with the Fermi results, the model radio spectrum is steeper than that observed by WMAP and Planck. If adiabatic losses due to plasma outflows from the Galactic central regions are taken into account, then the re-acceleration model nicely reproduces the Planck data points.

79 ASTRONOMY AND ASTROPHYSICS↗

Modulating terrestrial impacts from Oort cloud comets by the adiabatically changing galactic tides

Time modulation of the flux of new Jupiter-dominated Oort cloud comets is the subject of interest here. The major perturbation of these comets during the present epoch is due to the tidal field of the relatively smooth distribution of matter in the galactic disk. A secondary source of the near-parabolic comet flux are stars penetrating the inner Oort cloud and providing impulses that create brief comet showers. Substantial stellar-induced showers occur approximately every 100 m.y. Less frequent (but stronger) impulses due to giant molecular clouds can also perturb comets from the inner cloud. These occur on timescales of approximately equal to 500 m.y. In contrast to these infrequent stochastic shower phenomena is the continuously varying tidal-induced flux due to the galaxy. As the Sun orbits the galactic center it undergoes quasiharmonic motion about the galactic midplane, which is superimposed on the small eccentricity, near-Keplerian motion in the plane having epicycle period approximately equal to 150 m.y. In the process the galactic tidal field on the Sun/cloud system will vary causing a modulation of the observable Oort cloud flux. We have created a model of the galactic matter distribution as it affects the solar motion over a time interval ranging from 300 m.y. in the past to 100 m.y. into the future. As constraints on the disk's compact dark matter component we require consistency with the following: (1) the observed galactic rotation curve, (2) today's flux distribution of new comets, (3) the studies of K-giant distributions, and (4) the periodicity found in the terrestrial cratering record. The adiabatically varying galactic tidal torque is then determined and used to predict the time dependence of the flux. We find that a model in which approximately half the disk matter is compact is consistent with these constraints. Under such circumstances the peak-to-trough flux variation will be approx. equal to 5:1 with a full width of 9 m.y. This variability will manifest in the terrestrial cratering record and is consistent with the observed cratering periodicity, if over half of the impacts on Earth are caused by comets or asteroids that originate in the outer Oort cloud.

Matese, J. J.↗

Asynchronicity in opposed-piston RCMs: Does it matter?

Rapid Compression Machines (RCMs) are widely utilized to study combustion phenomena at engine-relevant conditions, and significant efforts are typically made to create a quiescent environment, particularly for investigations of autoignition chemistry. Opposed-piston configurations can be advantageous due to shorter compression times and reduced surface area to volume ratios. Each side must be actuated simultaneously, but this can be challenging in practice. These devices, like most RCMs, utilize hydraulics for actuation, speed control and arrestation of the piston at the end of the stroke; there is no mechanical control or linkage of the two piston trajectories. To quantify the magnitudes and effects of piston asynchronous behavior, this work employs both detailed experimental measurements and, for the first time, high-fidelity, Direct Numerical Simulation (DNS). The boundary conditions are carefully considered applying insight from high-resolution linear variable differential transformer (LVDT) measurements of the piston trajectory and a zero-dimensional kinematics model of the piston-shaft assembly. Sufficient resolution in the piston crevice region is used. The complicated fluid dynamical behavior that can evolve during piston compression and the ensuing delay processes due to offset timings from t offset = 0-10 ms is elucidated. It is found that near t offset = 6 ms and beyond, the boundary layer on the face of the first-seating piston can be sufficiently perturbed, due initially to reemergence of gas from the crevice of the firstseating piston, so that the adiabatic core can become degraded at long ignition delay times. Substantial mixing of colder gas into the interior of the reaction chamber can alter the measurements, similar to effects previously observed for improper piston crevice configuration. In conclusion, experimental techniques to mitigate asynchronous behavior are discussed and demonstrated.

33 ADVANCED PROPULSION SYSTEMS↗

IMPETUS: New cloudy’s radiative tables for accretion onto a galaxy black hole

We present digital tables for the radiative terms that appear in the energy and momentum equations used to simulate the accretion onto supermassive black holes (SMBHs) in the centers of galaxies. Cooling and heating rates and radiative accelerations are calculated with two different Spectral Energy Distributions (SEDs). One SED is composed of an accretion disk + [X-ray]-power law, while the other is made of an accretion disk + [Corona]-bremsstrahlung with T{sub X}=1.16×10{sup 8} K, where pre-computed conditions of adiabatic expansion are included. Quantifications of different physical mechanisms at operation are presented, showing discrepancies and similarities between both SEDs in different ranges of fundamental physical parameters (i.e., ionization parameter, density, and temperature). With the recent discovery of outflows originating at sub-parsec scales, these tables may provide a useful tool for modeling gas accretion processes onto an SMBH.

79 ASTRONOMY AND ASTROPHYSICS↗

The vertical distribution of water vapor in the atmosphere of Mars

Calculations are performed of the vertical distribution of water vapor and condensate in an adiabatic atmosphere on Mars taking into account turbulent diffusion and terminal velocity. The distributions are found to be substantially different when terminal velocity is included. The eddy-diffusion coefficient in the troposphere cannot be much greater than 100,000 sq cm/sec if optical depths are to be kept low enough to be consistent with observations. Processes in the boundary layer are also discussed. It is concluded that virtually all the water vapor is to be found in the lowest 6-10 km and that the lowest 2 km should have a greater concentration than the rest of that layer. Some observational tests of these ideas and conclusion can be performed by the Viking missions to Mars.

Hess, S. L.↗

The use of satellite data in understanding and predicting convective and large-scale dynamical processes

Mesoscale convective processes and how they affect and interact with mid-latitude cyclones were studied. The ageostrophic and associated vertical motion field was calculated using a highly accurate iterative method of solving the semigeostrophic omega equation. The tendencies for convective destabilization in the 850-750 mb layer due to differential geostrophic and ageostrophic advection and differential moist adiabatic ascent, were found. The spectral models of the index oscillation, one barotropic and the other baroclinic, were developed. Theoretical and observational studies of cloud streets were conducted.

Dutton, J. A.↗