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At least 307 records · Page 17

An Integrated Multiscale Experimental-Numerical Analysis on Reconsolidation of Salt-Clay Mixture for Disposal of Heat-Generating Waste (Final NEUP Technical Report)

The overall purpose of this research is to improve understanding of THMC coupling effect on the reconsolidation of granular (or crushed) salt-clay mixture used for seal systems of shafts and drifts in salt repositories. This proposed work is partially motivated by the recent work on the Waste Isolation Pilot Plant (WIPP) that shows the promising sealing capability of clay-salt mixture compared to crushed salt. In particular, primary emphasis is to develop a fully integrated multiscale experiment-numerical study to determine and explain what leads to the superior sealing ability of the clay-salt mixture. These research activities are designed to seek further understanding of (1) why clay additives may enhance the fluid trapping and (2) whether this flow barrier effect may prevail under different combinations of temperature, confining pressure, deviatoric stress and other foreseeable environmental factors. If successful, this enhanced flow trapping ability of the seal provides significant improvement to the seal and repository performance and therefore make the repository safer in the long-term. The experiment component includes microstructural investigation and macroscopic tests on a reconsolidated salt-clay mixture. In the microstructural study, the goal is to (1) characterize microscopic distributions of distinct phases (e.g., clay, salt crystal boundaries, trapped brine, and pore) to examine the connectivity of the pore network inside the salt-clay mixture with different amounts of clay additive and moisture content and (2) analyze multiscale imaging data to reconstruct the polycrystalline microstructures for numerical simulations. Meanwhile, macroscopic tests are performed to analyze how clay alters the failure/creep mechanisms in the salt-clay mixture. Microscopic and macroscopic experimental observations will both be used to calibrate and validate a multiscale model that explicitly simulates the capillary and multiphase flow in the connected pores and the deformation due to the presence of intra-crystalline brine at the pore scale via a new polyhedral discrete element–lattice Boltzmann method (DEM-LBM) coupling model. The pore-scale simulations are homogenized via an upscaling procedure that converts pore-scale information (e.g. force exerted on grain boundary, sliding, pressure-solution) to continuum measures (e.g. Cauchy stress, Darcy’s flow) at each integration point in the macroscopic multiphase TMHC model. This multiscale scheme will allow coupling be- tween high-fidelity simulations of brine-salt-clay interaction and the macroscopic TMHC model. The multiscale model helps the understanding of how the trapped brine inclusion affects the pressure-solution mechanism with the presence of clay and moisture. This work brings new insight into the sealing capacity of salt-clay mixture under elevated temperature over a long period of time - a key to evaluating the potential of salt-clay mixture usage for salt repositories.

42 ENGINEERING↗

Magnetic Field Strength from Turbulence Theory. I. Using Differential Measure Approach

The mean plane-of-sky magnetic field strength is traditionally obtained from the combination of polarization and spectroscopic data using the Davis–Chandrasekhar–Fermi (DCF) technique. However, we identify the major problem of the DCF technique to be its disregard of the anisotropic character of MHD turbulence. On the basis of the modern MHD turbulence theory we introduce a new way of obtaining magnetic field strength from observations. Unlike the DCF technique, the new technique uses not the dispersion of the polarization angle and line-of-sight velocities, but increments of these quantities given by the structure functions. To address the variety of astrophysical conditions for which our technique can be applied, we consider turbulence in both media with magnetic pressure higher than the gas pressure, corresponding, e.g., to molecular clouds, and media with gas pressure higher than the magnetic pressure, corresponding to the warm neutral medium. We provide general expressions for arbitrary admixtures of Alfvén, slow, and fast modes in these media and consider in detail particular cases relevant to diffuse media and molecular clouds. We successfully test our results using synthetic observations obtained from MHD turbulence simulations. We demonstrate that our differential measure approach, unlike the DCF technique, can be used to measure the distribution of magnetic field strengths, can provide magnetic field measurements with limited data, and is much more stable in the presence of induced large-scale variations of nonturbulent nature. Furthermore, our study uncovers the deficiencies of earlier DCF research.

79 ASTRONOMY AND ASTROPHYSICS↗

Electromagnetic instability in high-beta plasmas with generalized distribution functions

The electrostatic instabilities in an anisotropic plasma have been studied quite extensively, but the electromagnetic instabilities in high-beta plasmas, where they play an important role, have not been thoroughly investigated. Recently, Davidson and Wu (1970) looked into the ordinary mode electromagnetic instability which can arise in high-beta bi-Maxwellian plasmas. Here, the magnetic instability is discussed in (A, beta) space (A is the anisotropy in the temperature of the plasma species and beta is the ratio of the kinetic pressure to the magnetic pressure), which can occur in generalized non-Maxwellian plasmas with an inverted population of different species.

Buti, B.↗

Variational optimization analysis of temperature and moisture advection in a severe storm environment

Horizontal wind components, potential temperature, and mixing ratio fields associated with a severe storm environment in the south central U.S. were analyzed from synoptic upper air observations with a nonhomogeneous, anisotropic weighting function. Each data field was filtered with variational optimization analysis techniques. Variational optimization analysis was also performed on the vertical motion field and was used to produce advective forecasts of the potential temperature and mixing ratio fields. Results show that the dry intrusion is characterized by warm air, the advection of which produces a well-defined upward motion pattern. A corresponding downward motion pattern comprising a deep vertical circulation in the warm air sector of the low pressure system was detected. The axes alignment of maximum dry and warm advection with the axis of the tornado-producing squall line also resulted.

Mcfarland, M. J.↗

Experimental Observation of a New Attenuation Mechanism in hcp ‐Metals That May Operate in the Earth's Inner Core

Abstract Seismic observations show the Earth's inner core has significant and unexplained variation in seismic attenuation with position, depth and direction. Interpreting these observations is difficult without knowledge of the visco‐ or anelastic dissipation processes active in iron under inner core conditions. Here, a previously unconsidered attenuation mechanism is observed in zinc, a low pressure analog ofhcp‐iron, during small strain sinusoidal deformation experiments. The experiments were performed in a deformation‐DIA combined with X‐radiography, at seismic frequencies (∼0.003–0.1 Hz), high pressure and temperatures up to ∼80% of melting temperature. Significant dissipation (0.077 ≤ Q −1 (ω) ≤ 0.488) is observed along with frequency dependent softening of zinc's Young's modulus and an extremely small activation energy for creep (⩽7 kJ mol −1 ). In addition, during sinusoidal deformation the original microstructure is replaced by one with a reduced dislocation density and small, uniform, grain size. This combination of behavior collectively reflects a mode of deformation called “internal stress superplasticity”; this deformation mechanism is unique to anisotropic materials and activated by cyclic loading generating large internal stresses. Here we observe a new form of internal stress superplasticity, which we name as “elastic strain mismatch superplasticity.” In it the large stresses are caused by the compressional anisotropy. If this mechanism is also active inhcp‐iron and the Earth's inner‐core it will be a contributor to inner‐core observed seismic attenuation and constrain the maximum inner‐core grain‐size to ≲10 km.

Geochemistry & Geophysics↗

In-plane and out-of-plane optical response of the nodal-line semimetals ZrGeS and ZrGeSe

Polarization-dependent reflectivity measurements were carried out over a broad frequency range on single-crystalline ZrGeSe and ZrGeS compounds, which are closely related to the prototype nodal-line semimetal ZrSiS. These measurements revealed the strongly anisotropic character of both ZrGeSe and ZrGeS, with a reduced plasma frequency for the out-of-plane direction E∥c as compared with the in-plane direction E ∥ ab. For E ∥ ab, the optical conductivity spectrum consists of two Drude terms followed by a shoulder or plateaulike behavior and a distinct U shape at higher energies, while for E ∥ c, one Drude term is followed by a peaklike behavior, and the U shape of the profile is less developed. Under external pressure, two prominent excitations appear in the out-of-plane optical conductivity spectrum of ZrGeSe, whose frequency position and oscillator strength show a weak anomaly at ~3 GPa. Overall, the pressure-induced changes in the profile of the E∥c conductivity spectrum are much enhanced >~3 GPa. We compare our results to those recently reported for ZrSiS in a quantitative manner.

36 MATERIALS SCIENCE↗

Effect of Free Stream Turbulence and Other Vortical Disturbances on a Laminar Boundary Layer

This paper is concerned with the effect of free-stream turbulence on the pretransitional flat-plate boundary layer. It is assumed that either the turbulence Reynolds number or the downstream distance (or both) is small enough so that the flow can be linearized. The dominant disturbances in the boundary layer, which are of the Klebanoff type, are governed by the linearized unsteady boundary-region equations, i.e., the Navier Stokes equations with the streamwise derivatives neglected in the viscous and pressure-gradient terms. The turbulence is represented as a superposition of vortical free-stream Fourier modes, and the corresponding individual Fourier component solutions to the boundary-region equations are obtained numerically. The results are then superposed to compute the root mean square of the fluctuating streamwise velocity in the boundary layer produced by the actual free-stream turbulence. The calculated boundary-layer disturbances are in good quantitative agreement with the experimentally observed Klebanoff modes when strong low-frequency anisotropic effects are included in the free-stream turbulence spectrum. We discuss some additional effects that may need to be accounted for in order to obtain a complete description of the Klebanoff modes.

Goldstein, Marvin E.↗

Concerning the Interaction of A Transmitted Interplanetary Impulse With A Plasmaspheric Drainage Plume: First Results From 3-D Hybrid Kinetic Modeling

We present a new hybrid kinetic model to simulate the response of plasmaspheric drainage plumes to impulsive interplanetary pressure pulses. Since particle distributions attending the interplanetary pulses and in the drainage plume are non-Maxwellian, wave-particle interactions play a crucial role in energy transport within and outside the plumes. Finite gyroradius effects become important in mass loading of the transmitted impulse with the drainage plume ions. A forward-reverse shock structure develops from the initial step-like transmitted shock. First results show that the impulse causes strong deformations in the global structure of the plume. The anisotropic ion velocity distribution functions at the impulse front and inside the plume help us determine energy transport via wave-particle interactions throughout the Earth’s inner magnetosphere.

A S Lipatov↗

Stacking Faults and Short-Range Magnetic Correlations in Single Crystal Y 5 Ru 2 O 12 : A Structure with Ru +4.5 One-Dimensional Chains

In this paper, the synthesis, structure, and physical properties of Y 5 Ru 2 O 12 , a new member of the Ln 5 B 2 O 12 class (Ln = lanthanide, B = Ru, Re, Mo) are reported. Single crystals of Y 5 Ru 2 O 12 are synthesized using a high-temperature, high-pressure (700 °C, 200 MPa) hydrothermal method. The structure features edge-sharing Ru—O—Ru 1D chains of distorted RuO6 octahedra. The YO n (n = 6 and 7) polyhedral groups bridge Ru—O—Ru chains across the unit cell by forming a complex 3D structure. The Ru—O—Ru chains contain alternating shorter and longer Ru—Ru distances along the chain. Single crystal neutron diffraction shows streak-like diffuse scattering along the H-direction, due to stacking faults. Temperature-dependent anisotropic magnetic measurements reveal a broad feature over a wide temperature range, with a maximum at ≈70 K indicating potential short-range ordering, with canted antiferromagnetic behavior below 30 K. The dominant magnetic interactions are antiferromagnetic with a large negative Weiss temperature θ ≈ –200 K. The compound has an effective magnetic moment that is anomalously large for this class of compounds (≈4 μ B Ru –1 ), and a phenomenological spin Hamiltonian describing the unusual anisotropic magnetization of Y 5 Ru 2 O 12 is proposed.

36 MATERIALS SCIENCE↗

Polarizable Water Potential Derived from a Model Electron Density

A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like atom. This framework is used to derive and parametrize individual terms describing charge penetration damped permanent electrostatics, damped polarization, charge transfer, anisotropic Pauli repulsion, and damped dispersion interactions. Initial parameter values were fit to Symmetry Adapted Perturbation Theory (SAPT) energy components for ten water dimer configurations, as well as the radial and angular dependence of the canonical dimer. The SAPT-based parameters were then systematically refined to extend the treatment to water bulk phases. The final HIPPO water model provides a balanced representation of a wide variety of properties of gas phase clusters, liquid water, and ice polymorphs, across a range of temperatures and pressures. This water potential yields a rationalization of water structure, dynamics, and thermodynamics explicitly correlated with an ab initio energy decomposition, while providing a level of accuracy comparable or superior to previous polarizable atomic multipole force fields. The HIPPO water model serves as a cornerstone around which similarly detailed physics-based models can be developed for additional molecular species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analytic investigation of combined effects of anisotropic thermal transport and energetic particles on stability of resistive plasma resistive wall mode

The combined effects of anisotropic thermal transport and trapped energetic particles (EPs) on the stability of the resistive plasma resistive wall mode (RPRWM) are investigated by an energy-principle based analytical model. The results qualitatively confirm that of a recent toroidal modeling study [Bai et al., Phys. Plasmas 27, 072502 (2020)], in which the thermal transport can stabilize the RPPWM depending on the parameters of both the plasma equilibrium and energetic particles. The analytical model predicts a complete stabilization of the RPRWM in highly resistive plasmas, at sufficiently high EPs’ pressure, and finite plasma flow. The stabilizing effect of thermal transport originates from its enhancement of energy dissipations associated with both the resistive layer and the trapped energetic particles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulation of Etching Profiles Using Level Sets

Using plasma discharges to etch trenches and via holes in substrates is an important process in semiconductor manufacturing. Ion enhanced etching involves both neutral fluxes, which are isotropic, and ion fluxes, which are anisotropic. The angular distributions for the ions determines the degree of vertical etch, while the amount of the neutral fluxes determines the etch rate. We have developed a 2D profile evolution simulation which uses level set methods to model the plasma-substrate interface. Using level sets instead of traditional string models avoids the use of complicated delooping algorithms. The simulation calculates the etch rate based on the fluxes and distribution functions of both ions and neutrals. We will present etching profiles of Si substrates in low pressure (10s mTorr) Ar/Cl2 discharges for a variety of incident ion angular distributions. Both ion and neutral re-emission fluxes are included in the calculation of the etch rate, and their contributions to the total etch profile will be demonstrated. In addition, we will show RIE lag effects as a function of different trench aspect ratios. (For sample profiles, please see http://www.ipt.arc.nasa.gov/hwangfig1.html)

Hwang, Helen↗

Pressure-strain correlations in curved wall boundary layers

Pressure-strain correlations, which represent some part of production and dissipation of Reynolds stress in turbulent wall-bounded shear layers, have been determined for the cases of boundary layer flow past a convex, a concave and a flat wall, the latter also in the case when it follows a convex wall (relaxing flow). The Large Eddy Interaction Model utilized for prediction also permits determination of the contribution from different parts of the turbulence spectra to the correlations in different parts across the boundary layer. The relation between the anisotropic nature of the correlations and the spectra in the different flow cases provides a means of testing models for the correlations.

Hong, S. K.↗

Analysis of Curved Sandwich Panels Subjected to Combined Temperature Gradient and Mechanical Loads

The results of a detailed study of the nonlinear response of curved sandwich panels with composite face sheets and subjected to a temperature gradient through-the-thickness combined with mechanical loadings are presented. The analysis is based on a first-order shear-deformation Sanders-Budiansky type theory with the effects of large displacements, moderate rotations, transverse shear deformation and laminated anisotropic material behavior included. A mixed formulation is used with the fundamental unknowns consisting of the generalized displacements and the stress resultants of the panel. The nonlinear displacements, strain energy, principal strains, transverse shear stresses, transverse shear strain energy density, and their hierarchical sensitivity coefficients are evaluated. The hierarchical sensitivity coefficients measure the sensitivity of the nonlinear response to variations in the panel parameters, the effective properties of the face sheet layers and the core, and the micromechanical parameters. Numerical results are presented for cylindrical panels subjected to combined pressure loading, edge shortening or extension, edge shear and a temperature gradient through the thickness. The results show the effects of variations in the loading and the panel aspect ratio, on the nonlinear response and its sensitivity to changes in the various panel, effective layer and micromechanical parameters.

Noor, Ahmed K.↗

Water maser emission from X-ray-heated circumnuclear gas in active galaxies

We have modeled the physical and chemical conditions present within dense circumnuclear gas that is irradiated by X-rays from an active galactic nucleus. Over a wide range of X-ray fluxes and gas pressures, the effects of X-ray heating give rise to a molecular layer at temperatures of 400-1000 K within which the water abundance is large. The physical conditions within this molecular layer naturally give rise to collisionally pumped maser emission in the 6(sub 16) - 5(sub 23) 22 GHz transition of ortho-water, with predicted maser luminosities of 10(exp 2 +/- 0.5) solar luminosity per sq. pc of illuminated area. Given plausible assumptions about the geometry of the source and about the degree to which the maser emission is anisotropic, such surface luminosities are sufficient to explain the large apparent luminosities observed in water maser sources that are associated with active galactic nuclei.

Neufeld, David A.↗

Dynamic response of anisotropic composite panels to time-dependent external excitations

This paper deals with the dynamic response of anisotropic laminated composite flat panels exposed to sonic boom and explosive blast-type loadings. The pertinent governing equations incorporating transverse shear deformation, transverse normal stress, the higher order effects as well as the viscous structural damping are solved by using the integral-transform technique. The obtained results are compared with their counterparts obtained within the framework of the first order transverse shear deformation and the classical plate theories and some conclusions concerning their range of applicability are outlined. The paper also contains a detailed analysis of the influence played by the various parameters characterizing the considered pressure pulses as well as the material and geometry of the plate.

Librescu, L.↗

A Liquid–Vapor Two-Phase Model of Direct Methanol Fuel Cells With Platinum Group Metal-Free Cathode Catalyst

Abstract This study has developed a two-dimensional, two-phase transport model to investigate the transport characteristics in direct methanol fuel cells (DMFCs) using platinum group metal (PGM)-free cathode catalysts. The model considered anisotropic properties of the gas diffusion layer (GDL) caused by current collector’s mechanical compression, the interfacial mass transfer of water and methanol between liquid and vapor, and unique properties of the cathode PGM-free catalyst layer. Results showed that the liquid methanol solution from the anode could provide sufficient water to hydrate the proton exchange membrane (PEM), and the relative humidity of the cathode air did not impact the membrane hydration. Fully hydrating the cathode air may deteriorate the fuel cell performance, especially when the operating temperature is close to 100 °C because the exponential increase of the saturated water pressure with temperature decreased the partial pressure of oxygen. The optimized operating temperature increased with the increase of air pressure and was about 80 °C at 1.5 atm cathode pressure. To achieve the US Department of Energy’s performance target of 300 mW/cm2 peak power density, catalytic activities of both the anode and cathode catalysts need to be improved by one order of magnitude compared with the state-of-the-art commercial catalysts.

Electrochemistry↗

Improving Global Mass Flux Solutions from Gravity Recovery and Climate Experiment (GRACE) Through Forward Modeling and Continuous Time Correlation

We describe Earth's mass flux from April 2003 through November 2008 by deriving a time series of mas cons on a global 2deg x 2deg equal-area grid at 10 day intervals. We estimate the mass flux directly from K band range rate (KBRR) data provided by the Gravity Recovery and Climate Experiment (GRACE) mission. Using regularized least squares, we take into account the underlying process dynamics through continuous space and time-correlated constraints. In addition, we place the mascon approach in the context of other filtering techniques, showing its equivalence to anisotropic, nonsymmetric filtering, least squares collocation, and Kalman smoothing. We produce mascon time series from KBRR data that have and have not been corrected (forward modeled) for hydrological processes and fmd that the former produce superior results in oceanic areas by minimizing signal leakage from strong sources on land. By exploiting the structure of the spatiotemporal constraints, we are able to use a much more efficient (in storage and computation) inversion algorithm based upon the conjugate gradient method. This allows us to apply continuous rather than piecewise continuous time-correlated constraints, which we show via global maps and comparisons with ocean-bottom pressure gauges, to produce time series with reduced random variance and full systematic signal. Finally, we present a preferred global model, a hybrid whose oceanic portions are derived using forward modeling of hydrology but whose land portions are not, and thus represent a pure GRACE-derived signal.

Sabaka, T. J.↗