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At least 1,315 records · Page 73

Pore-scale multiphase flow modeling and imaging of CO 2 exsolution in Sandstone

This study utilizes synchrotron X-ray micro-tomography and pore scale modeling to investigate the process of gas exsolution and how it affects non-wetting phase relative permeability. Exsolved gas distributions are measured on Domengine and Boise sandstone samples using synchrotron X-ray micro-tomography. Observed gas phase distributions are compared to a new model that simulates the growth and distribution of exsolved gas phase at the pore-scale. Water relative permeability curves are calculated using a Stokes flow simulator with modeled and observed gas distributions, under various conditions, such as rock geometry, and pressure depletion rates. By comparing the actual bubble distributions with modeled distributions, we conclude that exsolved gas is more likely to form and accumulate at locations with higher water velocities. This suggests that convective delivery of CO2 to the gas bubble is a primary mechanism for bubble growth, as compared to diffusive transport through the aqueous phase. For carbonated brine flowing up a fault at half a meter per day, with 5% exsolved gas, the water relative permeability is estimated to be 0.6~0.8 for various sandstones. The reduction of water mobility reduces upward brine migration when even a small amount of exsolution occurs.

58 GEOSCIENCES↗

Interactions of laser-driven tin ejecta microjets over phase transition boundaries

Ejecta microjets offer an experimental methodology to study high-speed particle laden-flow interactions, as microjets consist of millions of particulates traveling at velocities of several kilometers per second and are easily generated by most common shock drives. Previous experiments on the OMEGA Extended Performance laser found that collisions between two counter-propagating laser-driven tin ejecta microjets varied as a function of drive pressure; jets generated near shock pressures of 10 GPa passed through each other without interacting, whereas jets generated at shock pressures of over 100 GPa interacted strongly, forming a cloud around the center interaction point. In this paper, we present a more systematic scan of tin ejecta microjet collisions over intermediate pressure regimes to identify how and at what shock pressure interaction behavior onsets. Radiographs of interacting microjets at five different laser drive energies qualitatively demonstrate that interaction behavior onsets slowly as a function of laser drive energy. Quantitative mass and density metrics from each radiograph provide trends on jet characteristics and collisional mass dispersion. It is observed that jetting mass, jet densities, and mass dispersion increase with increasing drive pressures and that the increased jet density at the higher drive energies may account for the increased mass dispersion. This work provides an important step in the understanding of tin ejecta microjet collisions and paves the way for future studies on the physics dominating high-speed particle-laden flow interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A 17 year climatology of the macrophysical properties of convection in Darwin

Abstract. The validation of convective processes in global climate models (GCMs) could benefit from the use of large datasets that provide long-term climatologies of the spatial statistics of convection. To that regard, echo top heights (ETHs), convective areas, and frequencies of mesoscale convective systems (MCSs) from 17 years of data from a C-band polarization (CPOL) radar are analyzed in varying phases of the Madden–Julian Oscillation (MJO) and northern Australian monsoon in order to provide ample validation statistics for GCM validation. The ETHs calculated using velocity texture and reflectivity provide similar results, showing that the ETHs are insensitive to various techniques that can be used. Retrieved ETHs are correlated with those from cloud top heights retrieved by Multifunctional Transport Satellites (MTSATs), showing that the ETHs capture the relative variability in cloud top heights over seasonal scales. Bimodal distributions of ETH, likely attributable to the cumulus congestus clouds and mature stages of convection, are more commonly observed when the active phase of the MJO is over Australia due to greater mid-level moisture during the active phase of the MJO. The presence of a convectively stable layer at around 5 km altitude over Darwin inhibiting convection past this level can explain the position of the modes at around 2–4 km and 7–9 km. Larger cells were observed during break conditions compared to monsoon conditions, but only during the inactive phase of the MJO. The spatial distributions show that Hector, a deep convective system that occurs almost daily during the wet season over the Tiwi Islands, and sea-breeze convergence lines are likely more common in break conditions. Oceanic MCSs are more common during the night over Darwin. Convective areas were generally smaller and MCSs more frequent during active monsoon conditions. In general, the MJO is a greater control on the ETHs in the deep convective mode observed over Darwin, with higher distributions of ETH when the MJO is active over Darwin.

54 ENVIRONMENTAL SCIENCES↗

RADIAL VELOCITY OBSERVATIONS AND LIGHT CURVE NOISE MODELING CONFIRM THAT KEPLER-91b IS A GIANT PLANET ORBITING A GIANT STAR

Kepler-91b is a rare example of a transiting hot Jupiter around a red giant star, providing the possibility to study the formation and composition of hot Jupiters under different conditions compared to main-sequence stars. However, the planetary nature of Kepler-91b, which was confirmed using phase-curve variations by Lillo-Box et al., was recently called into question based on a re-analysis of Kepler data. We have obtained ground-based radial velocity observations from the Hobby-Eberly Telescope and unambiguously confirm the planetary nature of Kepler-91b by simultaneously modeling the Kepler and radial velocity data. The star exhibits temporally correlated noise due to stellar granulation which we model as a Gaussian Process. We hypothesize that it is this noise component that led previous studies to suspect Kepler-91b to be a false positive. Our work confirms the conclusions presented by Lillo-Box et al. that Kepler-91b is a 0.73 ± 0.13 M {sub Jup} planet orbiting a red giant star.

79 ASTRONOMY AND ASTROPHYSICS↗

Physics based model for online fault detection in autonomous cryogenic loading system

We report the progress in the development of the chilldown model for a rapid cryogenic loading system developed at NASA-Kennedy Space Center. The nontrivial characteristic feature of the analyzed chilldown regime is its active control by dump valves. The two-phase flow model of the chilldown is approximated as one-dimensional homogeneous fluid flow with no slip condition for the interphase velocity. The model is built using commercial SINDA/FLUINT software. The results of numerical predictions are in good agreement with the experimental time traces. The obtained results pave the way to the application of the SINDA/FLUINT model as a verification tool for the design and algorithm development required for autonomous loading operation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Photoelectron spectroscopy of anthracene and fluoranthene radical anions

Here, we report the slow electron velocity map imaging spectroscopy of cryogenically cooled anthracene and fluoranthene radical anions, two similarly sized polycyclic aromatic hydrocarbon molecules. The results allow us to examine the lowest energy singlet and triplet states in the neutral molecules on equal footing from the anionic ground state. The analysis of the experimental spectra is aided by harmonic calculations and Franck-Condon simulations, which generally show good agreement with experimental values and spectra. The electron affinity of fluoranthene is measured to be 0.757(2) eV, which is larger than that of anthracene at 0.532(3) eV. The lowest energy triplet state in anthracene is observed at 1.872(3) eV above the singlet ground state, while that of fluoranthene is observed at 2.321(2) eV above its singlet ground state. Comparisons of experimental and calculated spectra show that in addition to the Franck-Condon active modes, there is a clear presence of vibrational modes that gain intensity via vibronic coupling in both the singlet and triplet states in both molecules. In addition, the triplet state generally exhibits increased vibronic coupling compared to the singlet state, with the fluoranthene triplet state exhibiting evidence of distortion from C 2v symmetry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Imaging the crust and uppermost mantle structure of Portugal (West Iberia) with seismic ambient noise

SUMMARY We present a new high-resolution 3-D shear wave velocity (Vs) model of the crust and uppermost mantle beneath Portugal, inferred from ambient seismic noise tomography. We use broad-band seismic data from a dense temporary deployment covering the entire Portuguese mainland between 2010 and 2012 in the scope of the WILAS project. Vertical component data are processed using phase correlation and phase weighted stack to obtain empirical Green functions (EGFs) for 2016 station pairs. Further, we use a random sampling and subset stacking strategy to measure robust Rayleigh-wave group velocities in the period range 7–30 s and associated uncertainties. The tomographic inversion is performed in two steps: First, we determine group-velocity lateral variations for each period. Next, we invert them at each grid point using a new trans-dimensional inversion scheme to obtain the 3-D shear wave velocity model. The final 3-D model extends from the upper crust (5 km) down to the uppermost mantle (60 km) and has a lateral resolution of ∼50 km. In the upper and middle crusts, the Vs anomaly pattern matches the tectonic units of the Variscan Massif and Alpine basins. The transition between the Lusitanian Basin and the Ossa Morena Zone is marked by a contrast between moderate- and high-velocity anomalies, in addition to two arched earthquake lineations. Some faults, namely, the Manteigas–Vilariça–Bragança fault and the Porto–Tomar–Ferreira do Alentejo fault, have a clear signature from the upper crust down to the uppermost mantle (60 km). Our 3-D shear wave velocity model offers new insights into the continuation of the main tectonic units at depth and contributes to better understanding the seismicity of Portugal.

Silveira, Graça (ORCID:0000000221102554)↗

Numerical calculation of neoclassical distribution functions and current profiles in low collisionality, axisymmetric plasmas

A new code, the Neoclassical Ion-Electron Solver (NIES), has been written to solve for stationary, axisymmetric distribution functions (f) in the conventional banana regime for both ions and electrons using a set of drift-kinetic equations (DKEs) with linearized Fokker-Planck-Landau collision operators. Solvability conditions on the DKEs determine the relevant non-adiabatic pieces of f (called h). We work in a 4D phase space in which {psi} defines a flux surface, {theta} is the poloidal angle, v is the magnitude of the velocity referenced to the mean flow velocity, and {lambda} is the dimensionless magnetic moment parameter. We expand h in finite elements in both v and {lambda}. The Rosenbluth potentials, {Phi} and {Psi}, which define the integral part of the collision operator, are expanded in Legendre series in cos{chi}, where {chi} is the pitch angle, Fourier series in cos{theta}, and finite elements in v. At each {psi}, we solve a block tridiagonal system for h{sub i} (independent of f{sub e}), then solve another block tridiagonal system for h{sub e} (dependent on f{sub i}). We demonstrate that such a formulation can be accurately and efficiently solved. NIES is coupled to the MHD equilibrium code JSOLVER [J. DeLucia et al., J. Comput. Phys. 37, 183-204 (1980)] allowing us to work with realistic magnetic geometries. The bootstrap current is calculated as a simple moment of the distribution function. Results are benchmarked against the Sauter analytic formulas and can be used as a kinetic closure for an MHD code (e.g., M3D-C{sup 1}[S. C. Jardin et al., Comput. Sci. Discovery 5, 014002 (2012)]).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Improvements in the reactor core isolation cooling (RCIC) pump model

As part of the efforts to understand the unexpected “self-regulating” mode of the RCIC (Reactor Core Isolation Cooling) systems that was observed during the Fukushima accidents and to extend BWR RCIC and PWR AFW (Auxiliary Feed Water) operational range and flexibility, mechanistic models for the Terry turbine are being developed and tested with the RELAP-7 code to simulate the RCIC system. In the previous work, we developed a set of analytical models for the normal working conditions, as well as the two-phase off-design conditions, of the RCIC system, based on Sandia’s original work. An under-expanded jet model was developed to replace the CFD-based reduced-order model in the Sandia work to obtain the velocity and thermodynamic conditions of the turbine stator inlet. The models include both an adiabatic expansion process inside the nozzle and a free expansion process outside of the nozzle to ambient pressure. For the two-phase off-design conditions, two well-established choking models were used - the Isentropic Homogenous Equilibrium Model (IHEM) and Moody’s model. The new twophase Terry turbine model used the choking models to calculate the mass flow rate, the critical pressure at the nozzle throat, and steam quality. The two-phase nozzle expansion model was also developed by considering the vapor phase with a similar model for the single-phase case with the assumption that the liquid phase would slip along the wall with a much slower speed and will not contribute to the impulse on the rotor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Shock Compression Response of Model Polymer/Metal Composites

Heterogeneous materials do not respond mechanically to an impulse in the manner of homogeneous metals and alloys. Wave propagation in a microstructure with chemically distinct identities, that are only in incidental contact with each other, is a complex process and not well understood. Here we report on a series of plate-impact experiments on a polymer-metal composite, where the volume fraction of the metallic phase was systematically varied from 0% to 40%, while other parameters like the sample thickness were kept constant. The velocity histories at the sample/window interfaces were measured to examine the continuum response corresponding to the internal materials processes. The unfilled polymer demonstrated a steady shock wave response; whereas the wave profiles obtained from mixture samples showed structured waves that depended on the volume fraction of the fill. Furthermore, the shock wave profiles were quantified using parameters strongly correlated to the material composition. The likely physical basis of these correlations is discussed.

36 MATERIALS SCIENCE↗

Energy dissipation in polymer-bonded explosives with various levels of constituent plasticity and internal friction

The ignition of energetic materials (EM) under dynamic loading is mainly controlled by localized temperature spikes known as hotspots. Hotspots occur due to several dissipation mechanisms, including viscoplasticity, viscoelasticity, and internal friction along crack surfaces. In this work, to analyze the contributions of these mechanisms, we quantify the ignition probability, energy dissipation, damage evolution, and hotspot characteristics of polymer-bonded explosives (PBXs) with various levels of constituent plasticity of the energetic phase and internal crack face friction. Using PBX9501 consisting of HMX (Octahydro-1,3,5,7-Tetranitro-1,2,3,5-Tetrazocine) and Estane as a reference material, we analyze variants of this material with several values of the yield stress of the energetic phase and coefficients of internal crack face friction, while other parameters are kept unchanged. The impact loading involves piston velocities between 200 and 1200 m/s. The analysis uses a Lagrangian cohesive finite element framework that explicitly accounts for finite-strain elastic-viscoplastic deformation of the grains, viscoelastic deformation of the binder, arbitrary crack initiation and propagation in the grains and the binder, debonding between the grains and the binder, contact between internal surfaces, friction and frictional heating along internal surfaces, heat generation resulting from inelastic bulk deformation, and heat conduction. To determine the ignition status of the material or “go” or “no-go” state, we use a criterion based on a criticality threshold obtained from chemical kinetics calculations. For PBX with various levels of HMX plasticity and friction, the probability of ignition, the evolution of dissipation caused by plasticity and friction, the density of cracks, and the locations of cracks are quantified. Results show that samples with higher levels of constituent plasticity (lower yield strengths) or lower levels of internal friction are less likely to ignite. The relative importance of plasticity and friction depends on load intensity, with frictional heating decreasing as load intensity increases. Although the overall viscoplastic heating outweighs the overall frictional heating, friction plays a very important role in hotspot development at all load intensities analyzed, owing to the fact that frictional heating is more localized than viscoplastic heating. Finally, the predicted thresholds and ignition probabilities are expressed in a load intensity-load duration relation for PBX with different constituent properties.

36 MATERIALS SCIENCE↗

ICRF Mode Conversion Flow Drive Experiments on Alcator C-Mod

We have carried out a detailed study of the dependence of ICRF mode conversion flow drive (MCFD) on plasma and RF parameters. The flow drive efficiency is found to depend strongly on the {sup 3}He concentration in D({sup 3}He) plasmas, a key parameter separating the ICRF minority heating regime and mode conversion regime. At +90 deg. antenna phasing (waves in the co-I{sub p} direction) and dipole phasing, the driven flow is in the co-I{sub p} direction, and the change of the rotation velocity increases with both P{sub RF} and I{sub p}, and scales unfavorably vs. plasma density and antenna frequency. When MCFD is applied to I-mode plasmas, the plasma rotation increases until the onset of MHD modes triggered by large sawtooth crashes. Very high performance I-mode plasmas with H{sub ITER98,y2}{approx}1.4 and T{sub e0}{approx}8 keV have been obtained in these experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Elementary model of severe plastic deformation by KoBo process

Self-consistent model of generation, interaction, and annihilation of point defects in the gradient of oscillating stresses is presented. This model describes the recently suggested method of severe plastic deformation by combination of pressure and oscillating rotations of the die along the billet axis (KoBo process). Model provides the existence of distinct zone of reduced viscosity with sharply increased concentration of point defects. This zone provides the high extrusion velocity. Presented model confirms that the Severe Plastic Deformation (SPD) in KoBo may be treated as non-equilibrium phase transition of abrupt drop of viscosity in rather well defined spatial zone. In this very zone, an intensive lateral rotational movement proceeds together with generation of point defects which in self-organized manner make rotation possible by the decrease of viscosity. The special properties of material under KoBo version of SPD can be described without using the concepts of nonequilibrium grain boundaries, ballistic jumps and amorphization. The model can be extended to include different SPD processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamic theory of neutron diffraction from a moving grating

A multiwave dynamic theory of diffraction of ultracold neutrons from a moving phase grating has been developed in the approximation of coupled slowly varying amplitudes of wavefunctions. The effect of the velocity, period, and height of grooves of the grating, as well as the spectral angular distribution of the intensity of incident neurons, on the discrete energy spectrum and the intensity of diffraction reflections of various orders has been analyzed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On the unsteady Darcy–Forchheimer–Brinkman equation in local and nonlocal tumor growth models

A mathematical analysis of local and nonlocal phase-field models of tumor growth is presented that includes time-dependent Darcy–Forchheimer–Brinkman models of convective velocity fields and models of long-range cell interactions. A complete existence analysis is provided. In addition, a parameter-sensitivity analysis is described that quantifies the sensitivity of key quantities of interest to changes in parameter values. Two sensitivity analyses are examined; one employing statistical variances of model outputs and another employing the notion of active subspaces based on existing observational data. Remarkably, the two approaches yield very similar conclusions on sensitivity for certain quantities of interest. The work concludes with the presentation of numerical approximations of solutions of the governing equations and results of numerical experiments on tumor growth produced using finite element discretizations of the full tumor model for representative cases.

Mathematics↗

Institutional Computing Annual Report - W11_Friction

The IC W11_Friction program has as a goal the fundamental understanding of the physical mechanisms which determine the macroscopic frictional force between ductile metals for arbitrary compressions and relative velocities. The high performance computing platforms have allowed detailed understanding of physical mechanisms: elasticity, anharmonicity of phonons, plastic deformation, phase transitions and melting, and grain structure including grain growth and refinement. The method used has been Non Equilibrium Molecular Dynamics (NEMD) using the SPaSM parallel code developed at LANL. The results of these simulations have resulted in a scaling model for the metal-metal frictional force.

36 MATERIALS SCIENCE↗

Development of New Experimental Methods for Correlated Operando Surface/Gas Characterization

The predictive understanding of catalytic surface reactions requires accurate microkinetic models, and while decades of work has been devoted to the elucidation of the reaction steps in these models, many open questions remain. One key issue is a lack of approaches enabling the local spatially resolved assessment of catalytic activity over a surface. In this report, we detail efforts to develop a new diagnostic approach to solve this problem. The approach is based upon laser resonance enhanced multiphoton ionization of reaction products emitted into the gas phase followed by spatially resolved imaging of the resultant ions or electrons. Ion imaging is pursued with a velocity-selected spatially resolved ion imaging microscope, while electron imaging was attempted in a low energy electron microscope. Successful demonstration of the ion imaging microscope coupled with the development of transport simulations shows promise for a revolutionary new tool to assess local catalytic activity

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗