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At least 55 records · Page 3

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor↗

Arbitrarily laminated, anisotropic cylindrical shell under internal pressure

An arbitrarily laminated, anisotropic cylindrical shell of finite length, under uniform internal pressure, is analyzed using Love-Timoshenko's kinematic relations and under the framework of classical lamination theory. The previously obtained solutions for asymmetrically laminated orthotropic (cross-ply) as well as unbalanced-symmetric and balanced-unsymmetric (angle-ply) cylindrical shells under the same loading conditions have been shown to be special cases of the present closed-form solution. Numerical results have been presented for a two-layer cylindrical shell and compared with those obtained using finite element solutions based on the layerwise constant shear-angle theory. These are expected to serve as benchmark solutions for future comparisons and to facilitate the use of unsymmetric lamination in design.

Chaudhuri, Reaz Z.↗

Response of the mode Grüneisen parameters with anisotropic compression: A pressure and temperature dependent Raman study of β-Sn

The lattice dynamic response of body-centered tetragonal beta-Sn (I4 1 /amd) under high-pressure and temperature conditions is determined using experimental optical vibration modes. Here, Raman scattering is used to map the phase stability region of beta-Sn to perform mode Gruneisen analysis, and we demonstrate the necessity of an optical intensity calibration for Raman thermometry. The Gruneisen tensor is evaluated along a set of isotherms to address shortcomings of single-mode Gruneisen parameters with respect to anisotropic deformations of this tetragonal structured soft metal. The changes observed here in the Gruneisen tensor as a function of temperature are related to anharmonicity and denote potential criteria for the onset of premelting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dispersion relation and instability for an anisotropic nonuniform flowing plasma

A generalized formula for wave instability is developed for an anisotropic nonuniform plasma with finite flows and temperatures. Six-moment fluid equations are solved to give the analytic expression for wave instability in arbitrarily nonuniform plasmas. The analytic formula explicitly states the dependence of wave instability on the nonuniformities of number density, flow velocity, and anisotropic or isotropic pressure. The accuracy of the formalism is verified by a numerical calculation of implicit dispersion relations in complex Fourier space. The analysis shows that nonuniformity plays a critical role in plasma instability, while the flow velocity and anisotropic pressures determine the growth rate of the instability. Lastly, the instability diagram and associated instability criterion for anisotropy-driven instability are introduced as applications of the formalism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Toroidal modeling of energetic passing particle drift kinetic effects on tearing mode stability

Abstract Drift kinetic effects of the neutral beam injection induced passing energetic particles (EPs) on the linear stability of the n = 1 tearing mode (TM) (with the dominant poloidal harmonic of m = 2) are numerically investigated utilizing the MARS-K code (Liu et al 2008 Phys. Plasmas 15 112503), in a tokamak plasma with finite equilibrium pressure and anisotropic thermal transport. In the low plasma pressure regime, it is found that co- (counter-) passing EPs stabilize (destabilize) the TM, agreeing with previous studies. However, as the plasma pressure increases beyond a critical value, it is found that co-passing EPs also destabilize the mode. An in-depth analysis reveals that the net effect of co-passing EPs is a result of competition between the stabilizing contribution from the non-adiabatic drift kinetic terms and the destabilizing contribution associated with adiabatic terms, with the latter becoming more dominant at higher equilibrium pressure. Non-perturbative magnetohydrodynamic-kinetic hybrid modeling also finds that co- and counter-passing EPs modify the TM eigenfunction differently, with the counter-passing EPs enhancing the sideband harmonics. Furthermore, effects of the plasma resistivity and toroidal rotation, as well as that of the equilibrium distribution of EPs in the particle pitch angle space, are also investigated, showing asymmetric results on the TM stability between the co- and counter-passing EPs. The first order finite orbit width correction is found to be stabilizing with co-passing EPs and destabilizing with counter-passing particles. Finally, drift resonances between passing EPs and the TM induce finite frequency to the mode and generate finite net torques inside the plasma, due to the neoclassical toroidal viscosity and the Reynolds stress associated with 3D perturbations.

Physics↗

Modulating the Extent of Anisotropic Cuprophilicity via High Pressure with Piezochromic Luminescence Sensitization

We report metallophilicity has been widely studied as a fundamental supramolecular interaction. However, the extent and directionality thereof remain controversial. A major obstacle lies in the difficulty to separately control the geometry and chemical composition. Herein, we address this challenge by modulating metallophilicity with mechanical pressure. Using a multinuclear Cu(I) complex as model system, we report anomalous anisotropies of (supra)molecular structures, vibrations, and interaction energies upon isotropic compression as well as concomitant (essentially turn-on) piezochromic luminescence enhancement with ~10 3 modulation. The in situ characterizations indicate opposite behaviors of contact distances and cuprophilic interactions for intermolecular vs intramolecular Cu-Cu pairs under pressure. Theoretical calculations break down the attractive and repulsive forces associated with cuprophilicity, its spontaneous 4p-3d hybridization origin, and direction-dependent interaction strength. The use of isotropic mechanical force reveals the intrinsic anisotropy of metallophilicity in multinuclear systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides (Final Report)

The overarching goal of this research program, as originally delineated in the proposal “Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides” was to develop a predictive, chemistry-driven understanding of the impact of the phonon behavior on thermal properties of bulk layered materials. At finite temperatures, atomic vibrations (phonons) strongly impact the thermodynamics, thermal and electrical transport, and phase-switching properties of functional materials. In particular, soft phonon modes and strongly anharmonic potentials can have spectacular consequences, including structural phase transitions (for example in ferroelectrics and phase-change memory materials), metal-insulator transitions, and extreme thermal resistance preventing heat propagation. Bulk materials with highly-anisotropic bonding may provide unique strategies to induce soft-phonon modes and lattice instabilities. Recently, increasingly detailed investigations of the lattice dynamics in layered materials have been made possible by the advent of first-principles phonon calculations and advanced characterization techniques based on neutron and X-ray scattering. However, due to the lack of studies in which composition and bonding character are systematically varied, there are still fundamental questions regarding the impacts of anisotropic bonding and anharmonicity on lattice stability and thermal transport. One of the major goals of this research program is therefore to address this gap by coherently tuning bonding anisotropy and anharmonicity across families of related compounds. Such approaches have revealed new strategies for exploiting structural anisotropy in quasi-1D and 2D bulk materials to obtain tailored functional properties. This project systematically explored the lattice dynamics, phase stability, and transport properties in bulk layered materials by using both composition and applied pressure to tune the degree of bonding anisotropy and anharmonicity. To accomplish this work, we combined i) single-crystal growth of key material systems with tunable anisotropy, ii) in-situ high-temperature/high-pressure characterization of structure and phonons to probe bonding anisotropy and anharmonicity, including state-of-the-art inelastic X-ray scattering (IXS) and inelastic neutron scattering (INS), and iii) first-principles simulations leveraging large-scale computing to identify the fundamental origins of the observed effects, by relating atomic structure and dynamics to electronic orbital interactions. Finally, we modeled and verified the impact of the phonon behavior on thermal transport to identify new strategies for a-priori design of thermal conductivity. Our integrated collaborative approach helped to systematically unravel the effects of anisotropy and bonding anharmonicity on phonon transport, thermodynamics, and thermal properties of complex anisotropic materials.

30 DIRECT ENERGY CONVERSION↗

Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides. Final Report

The overarching goal of this research program, as originally delineated in the proposal “Tuning anisotropic bonding via chemistry and pressure in layered pnictides and chalcogenides” was to develop a predictive, chemistry-driven understanding of the impact of the phonon behavior on thermal properties of bulk layered materials. At finite temperatures, atomic vibrations (phonons) strongly impact the thermodynamics, thermal and electrical transport, and phase-switching properties of functional materials. In particular, soft phonon modes and strongly anharmonic potentials can have spectacular consequences, including structural phase transitions (for example in ferroelectrics and phase-change memory materials), metal-insulator transitions, and extreme thermal resistance preventing heat propagation. Bulk materials with highly-anisotropic bonding may provide unique strategies to induce soft-phonon modes and lattice instabilities. Recently, increasingly detailed investigations of the lattice dynamics in layered materials have been made possible by the advent of first-principles phonon calculations and advanced characterization techniques based on neutron and X-ray scattering. However, due to the lack of studies in which composition and bonding character are systematically varied, there are still fundamental questions regarding the impacts of anisotropic bonding and anharmonicity on lattice stability and thermal transport. One of the major goals of this research program is therefore to address this gap by coherently tuning bonding anisotropy and anharmonicity across families of related compounds. Such approaches have revealed new strategies for exploiting structural anisotropy in quasi-1D and 2D bulk materials to obtain tailored functional properties. This project systematically explored the lattice dynamics, phase stability, and transport properties in bulk layered materials by using both composition and applied pressure to tune the degree of bonding anisotropy and anharmonicity. To accomplish this work, we combined i) single-crystal growth of key material systems with tunable anisotropy, ii) in-situ high-temperature/high-pressure characterization of structure and phonons to probe bonding anisotropy and anharmonicity, including state-of-the-art inelastic X-ray scattering (IXS) and inelastic neutron scattering (INS), and iii) first-principles simulations leveraging large-scale computing to identify the fundamental origins of the observed effects, by relating atomic structure and dynamics to electronic orbital interactions. Finally, we modeled and verified the impact of the phonon behavior on thermal transport to identify new strategies for a-priori design of thermal conductivity. Our integrated collaborative approach helped to systematically unravel the effects of anisotropy and bonding anharmonicity on phonon transport, thermodynamics, and thermal properties of complex anisotropic materials.

36 MATERIALS SCIENCE↗

Stress-induced high- T c <?em> superconductivity in solid molecular hydrogen

Solid molecular hydrogen has been predicted to be metallic and high-temperature superconducting at ultrahigh hydrostatic pressures that push current experimental limits. Meanwhile, little is known about the influence of nonhydrostatic conditions on its electronic properties at extreme pressures where anisotropic stresses are inevitably present and may also be intentionally introduced. In this report we show by first-principles calculations that solid molecular hydrogen compressed to multimegabar pressures can sustain large anisotropic compressive or shear stresses that, in turn, cause major crystal symmetry reduction and charge redistribution that accelerate bandgap closure and promote superconductivity relative to pure hydrostatic compression. Our findings highlight a hitherto largely unexplored mechanism for creating superconducting dense hydrogen, with implications for exploring similar phenomena in hydrogen-rich compounds and other molecular crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of Anisotropic Mesh Adaptation on Surface Pressure Predictions for Atmospheric Entry Simulations

A metric-based mesh adaptation capability has been developed for the advanced compressible flow solver US3D. Metric-based mesh adaptation is a solution informed mesh adaptation strategy that improves the resolution of the mesh along anisotropic flow features, like strong shock waves or shear layers. An anisotropic error indicator is reconstructed based on a provided Computational Fluid Dynamics (CFD) solution which prescribes the locally desired element size and orientation. The benefits of this mesh adaptation strategy is twofold: first, it simplifies the manual meshing labor that typically needs to be carried out by the CFD engineer because the mesh adaptation is informed by the provided solution. Second, the computational cost is kept to a minimum while improving the resolution of the simulation. The aim here is to demonstrate how anisotropic mesh adaptation can be employed to improve the predictions of surface pressure for atmospheric entry vehicles. In this work, we compare CFD simulations that use this newly developed anisotropic mesh adaptation capability for US3D with pressure data that was collected by Mars Entry, Descent, and Landing Instrumentation (MEDLI2) suite.

Dirk Ekelschot↗

Effect of anisotropic mesh adaptation on surface pressure predictions for atmospheric entry simulations.

Recently, a metric-based mesh adaptation capability has been developed for the advanced compressible flow solver US3D. Metric-based mesh adaptation is a solution informed mesh adaptation strategy that typically improves the resolution of the mesh along anisotropic flow features, like strong shock waves or shear layers. An anisotropic error indicator is reconstructed based on a provided Computational Fluid Dynamics (CFD) solution which prescribes the locally desired element size and orientation. The benefits of this mesh adaptation strategy is twofold: first, it simplifies the manual meshing labor that typically needs to be carried out by the CFD engineer because the mesh adaptation is informed by the provided solution. Second, the computational cost is kept to a minimum while improving the resolution of the simulation. The aim here is to demonstrate how anisotropic mesh adaptation can be employed to improve the predictions of surface pressure for atmospheric entry vehicles. In this work, we compare CFD simulations that use this newly developed anisotropic mesh adaptation capability for US3D with pressure data that was collected by Mars Entry, Descent, and Landing Instrumentation 2 (MEDLI2) during the atmospheric entry phase of Mars2020.

D. Ekelschot↗

Dependency of active pressure and equation of state on stiffness of wall

Autonomous motion and motility are hallmarks of active matter. Active agents, such as biological cells and synthetic colloidal particles, consume internal energy or extract energy from the environment to generate self-propulsion and locomotion. These systems are persistently out of equilibrium due to continuous energy consumption. It is known that pressure is not always a state function for generic active matter. Torque interaction between active constituents and confinement renders the pressure of the system a boundary-dependent property. The mechanical pressure of anisotropic active particles depends on their microscopic interactions with a solid wall. Using self-propelled dumbbells confined by solid walls as a model system, we perform numerical simulations to explore how variations in the wall stiffness influence the mechanical pressure of dry active matter. In contrast to previous findings, we find that mechanical pressure can be independent of the interaction of anisotropic active particles with walls, even in the presence of intrinsic torque interaction. Particularly, the dependency of pressure on the wall stiffness vanishes when the stiffness is above a critical level. In such a limit, the dynamics of dumbbells near the walls are randomized due to the large torque experienced by the dumbbells, leading to the recovery of pressure as a state variable of density.

42 ENGINEERING↗

Experimental study of compaction localization in carbonate rock and constitutive modeling of mechanical anisotropy

Abstract Sedimentary rocks are inherently anisotropic and prone to strain localization. While the influence of rock anisotropy on the brittle/dilative regime has been studied extensively, its influence on the ductile/compactive regime is much less explored. This paper discusses the anisotropic behavior of a high‐porosity carbonate rock from central Europe (the Maastricht Tuffeau). A set of triaxial tests with concurrent x‐ray tomography has been performed at different confining pressures. The anisotropic characteristics of this rock have been investigated by testing samples cored at different inclinations of the bedding, thus revealing non‐negligible effects of the coring direction on yielding and compaction behavior. Specifically, samples cored perpendicular to bedding display higher strength and longer stages of post‐yielding deformation before manifesting re‐hardening. Despite such alterations of the inelastic response, Digital Image Correlation has revealed that the strain localization mode is independent of the coring direction, thus being primarily affected by the confinement level. To capture the observed interaction between material anisotropy and compaction behavior at the continuum‐scale, an elastoplastic constitutive law has been proposed. For this purpose, a set of tensorial bases has been introduced to replicate how the oriented rock fabric modulates the yielding and plastic flow characteristics of the material. The analyses show that the impact of the coring direction on yield function and plastic flow rule is fundamentally different, thus requiring the use of distinct projection strategies (a strategy here defined heterotopic mapping). The performance of the model, studied through parametric analyses and by calibrating the experimental results, illustrates the improved capability of the proposed constitutive approach when applied to strongly anisotropic porous rocks.

Shahin, Ghassan↗

Latitudinal Dependence of the Radial IMF Component - Interplanetary Imprint

Ulysses measurements have confirmed that there is no significant gradient with respect to heliomagnetic latitude in the radial component, B(sub r,), of the interplanetary magnetic field. There are two processes responsible for this observation. In the corona, the plasma beta is much less than 1, except directly above streamers, so both longitudinal and latitudinal (meridional) gradients in field strength will relax, due to the transverse magnetic pressure gradient force, as the solar wind carries magnetic flux away from the Sun. This happens so quickly that the field is essentially uniform by 5 solar radius. Beyond 10 solar radius, beta is greater than 1 and it is possible for a meridional thermal pressure gradient to redistribute magnetic flux - an effect apparently absent in Ulysses and earlier ICE and Interplanetary Magnetic Physics (IMP) data. We discuss this second effect here, showing that its absence is mainly due to the perpendicular part of the anisotropic thermal pressure gradient in the interplanetary medium being too small to drive significant meridional transport between the Sun and approx. 4 AU. This is done using a linear analytic estimate of meridional transport. The first effect was discussed in an earlier paper.

Suess, S. T.↗

Finite-Element Modeling of 3C-SiC Membranes

Finite-element modeling (FEM) of 3C-SiC thin-film membranes on Si substrates was used to determine the residual stress and center deflection with applied pressure. The anisotropic, three-dimensional model includes the entire 3C-SiC membrane and Si substrate with appropriate material properties and boundary conditions. Residual stress due to the thermal-expansion-coefficient mismatch between the3C-SiC film and Si substrate was included in the model. Both before-and after-etching, residual stresses were calculated. In-plane membrane stress and normal deflection with applied pressure were also calculated. FEM results predict a tensile residual stress fo 259 MPa in the 3C-SiC membrane before etching. This decreases to 247 MPa after etching the substrate below the membrane. The residual stress experimentally measured on sample made at Case Western Reserve University was 280 MPa on post-etched membranes. This is excellent agreement when an additional 30-40 MPa of residual stress to account for lattice mismatch is added to the FEM results.

DeAnna, R. G.↗

Hamiltonian kinetic-Hall magnetohydrodynamics with fluid and kinetic ions in the current and pressure coupling schemes

We present two generalized hybrid kinetic-Hall magnetohydrodynamics (MHD) models describing the interaction of a two-fluid bulk plasma, which consists of thermal ions and electrons, with energetic, suprathermal ion populations described by Vlasov dynamics. The dynamics of the thermal components are governed by standard fluid equations in the Hall MHD limit with the electron momentum equation providing an Ohm's law with Hall and electron pressure terms involving a gyrotropic electron pressure tensor. The coupling of the bulk, low-energy plasma with the energetic particle dynamics is accomplished through the current density (current coupling scheme; CCS) and the ion pressure tensor appearing in the momentum equation (pressure coupling scheme; PCS) in the first and the second model, respectively. The CCS is a generalization of two well-known models, because in the limit of vanishing energetic and thermal ion densities, we recover the standard Hall MHD and the hybrid kinetic-ions/fluid-electron model, respectively. This provides us with the capability to study in a continuous manner, the global impact of the energetic particles in a regime extending from vanishing to dominant energetic particle densities. The noncanonical Hamiltonian structures of the CCS and PCS, which can be exploited to study equilibrium and stability properties through the energy-Casimir variational principle, are identified. As a first application here, we derive a generalized Hall MHD Grad–Shafranov–Bernoulli system for translationally symmetric equilibria with anisotropic electron pressure and kinetic effects owing to the presence of energetic particles using the PCS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗