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At least 1,243 records · Page 69

Experiments and Simulations on the Turbulent, Rarefaction Wave Driven Rayleigh–Taylor Instability

Experiments were performed to observe the growth of the turbulent, Rayleigh–Taylor unstable mixing layer generated between air and SF 6 , with an Atwood number of A=(ρ 2 –ρ 1 )/(ρ 2 +ρ 1 ) = 0.64, where ρ 1 and ρ 2 are the densities of air and SF 6 , respectively. A nonconstant acceleration with an average value of 2300g 0 , where g 0 is the acceleration due to gravity, was generated by interaction of the interface between the two gases with a rarefaction wave. Three-dimensional, multimode perturbations were generated on the diffuse interface, with a diffusion layer thickness of δ = 3.6 mm, using a membraneless vertical oscillation technique, and 20 experiments were performed to establish a statistical ensemble. The average perturbation from this ensemble was extracted and used as input for a numerical simulation using the Lawrence Livermore National Laboratory (LLNL) Miranda code. Good qualitative agreement between the experiment and simulation was observed, while quantitative agreement was best at early to intermediate times. Several methods were used to extract the turbulent growth constant α from experiments and simulations while accounting for time varying acceleration. Experimental, average bubble and spike asymptotic self-similar growth rate values range from α = 0.022 to α = 0.032 depending on the method used, and accounting for variable acceleration. Values found from the simulations range from α = 0.024 to α = 0.041. Here, the values of α measured in the experiments are lower than what are typically measured in the literature but are more in line with those found in recent simulations.

42 ENGINEERING↗

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗

Conforming and nonconforming virtual element methods for elliptic problems

Here we present, in a unified framework, new conforming and nonconforming virtual element methods for general second-order elliptic problems in two and three dimensions. The differential operator is split into its symmetric and nonsymmetric parts and conditions for stability and accuracy on their discrete counterparts are established. These conditions are shown to lead to optimal H 1 - and L 2 -error estimates, confirmed by numerical experiments on a set of polygonal meshes. The accuracy of the numerical approximation provided by the two methods is shown to be comparable.

97 MATHEMATICS AND COMPUTING↗

The effects of turbulence on the flame structure and NO formation of ammonia turbulent premixed combustion at various equivalence ratios

Ammonia is carbon-free and is regarded as a potential fuel to address global warming issues. Here, in this work, three-dimensional direct numerical simulations (DNS) of ammonia/air turbulent premixed flames were performed to explore the influence of turbulence and equivalence ratio on the flame structure and NO formation characteristics. Two equivalence ratios were considered, i.e. Φ=0.9 and Φ=1.1. The general flame structures were presented and species distributions were examined. The NO mass fraction was found to be the highest in the product for the lean case and in the reaction zone for the rich case. The conditional mean values of species mass fractions and reaction rates were compared with those of the unstrained and strained laminar premixed flames to explore how well the laminar flame structures can approach those of the turbulent flame. The budget analysis of the species transport equations showed that turbulent diffusion plays an important role in species transport. The turbulent diffusivity D T was estimated using the gradient hypothesis based on the DNS data. Various laminar flame simulations with different diffusivities were carried out. It was shown that the conditional means of the DNS agree well with those of the laminar flames including D T in the transport property calculation. The global and local NO formation characteristics were investigated. It was found that the mean NO production conditioned on the progress variable is lower compared with the corresponding laminar flame in the rich case. However, the relative contributions from various NO pathways are rarely affected by turbulence. The NO mass fraction is higher in negative curvature regions compared with positive curvature regions of the flame surface for the rich case, which is due to the preferential diffusion of H 2 and other radicals and the enhanced NO pathways in negatively curved regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A global three-dimensional radiation magneto-hydrodynamic simulation of super-eddington accretion disks

We study super-Eddington accretion flows onto black holes using a global three-dimensional radiation magneto-hydrodynamical simulation. We solve the time-dependent radiative transfer equation for the specific intensities to accurately calculate the angular distribution of the emitted radiation. Turbulence generated by the magneto-rotational instability provides self-consistent angular momentum transfer. The simulation reaches inflow equilibrium with an accretion rate ∼220 L {sub Edd}/c {sup 2} and forms a radiation-driven outflow along the rotation axis. The mechanical energy flux carried by the outflow is ∼20% of the radiative energy flux. The total mass flux lost in the outflow is about 29% of the net accretion rate. The radiative luminosity of this flow is ∼10 L {sub Edd}. This yields a radiative efficiency ∼4.5%, which is comparable to the value in a standard thin disk model. In our simulation, vertical advection of radiation caused by magnetic buoyancy transports energy faster than photon diffusion, allowing a significant fraction of the photons to escape from the surface of the disk before being advected into the black hole. We contrast our results with the lower radiative efficiencies inferred in most models, such as the slim disk model, which neglect vertical advection. Our inferred radiative efficiencies also exceed published results from previous global numerical simulations, which did not attribute a significant role to vertical advection. We briefly discuss the implications for the growth of supermassive black holes in the early universe and describe how these results provided a basis for explaining the spectrum and population statistics of ultraluminous X-ray sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Profile stiffness measurements in the Helically Symmetric experiment and comparison to nonlinear gyrokinetic calculations

Stiffness measurements are presented in the quasi-helically symmetric experiment (HSX), in which the neoclassical transport is comparable to that in a tokamak and turbulent transport dominates throughout the plasma. Electron cyclotron emission is used to measure the local electron temperature response to modulated electron cyclotron resonant heating. The amplitude and phase of the heat wave through the steep electron temperature gradient (ETG) region of the plasma are used to determine a transient electron thermal diffusivity that is close to the steady-state diffusivity. The low stiffness in the region between 0.2 ≤ r/a ≤ 0.4 agrees with the scaling of the steady-state heat flux with temperature gradient in this region. These experimental results are compared to gyrokinetic calculations in a flux-tube geometry using the gyrokinetic electromagnetic numerical experiment code with two kinetic species. Linear simulations show that the ETG mode may be experimentally relevant within r/a ≤ 0.2, while the Trapped Electron Mode (TEM) is the dominant long-wavelength microturbulence instability across most of the plasma. The TEM is primarily driven by the density gradient. Non-linear calculations of the saturated heat flux driven by the TEM and ETG bracket the experimental heat flux.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extending the radial diffusion model of Falthammar to non-dipole background field

A model for radial diffusion caused by electromagnetic disturbances was published by Falthammar (1965) using a two-parameter model of the disturbance perturbing a background dipole magnetic field. Schulz and Lanzerotti (1974) extended this model by recognizing the two parameter perturbation as the leading (non--dipole) terms of the Mead Williams magnetic field model. They emphasized that the magnetic perturbation in such a model induces an electric ield that can be calculated from the motion of field lines on which the particles are ‘frozen’. Roederer and Zhang (2014) describe how the field lines on which the particles are frozen can be calculated by tracing the unperturbed field lines from the minimum-B location to the ionospheric footpoint, and then tracing the perturbed field (which shares the same ionospheric footpoint due to the frozen -in condition) from the ionospheric footpoint back to a perturbed minimum B location. The instantaneous change n Roederer L*, dL*/dt, can then be computed as the product (dL*/dphi)*(dphi/dt). dL*/Dphi is linearly dependent on the perturbation parameters (to first order) and is obtained by computing the drift across L*-labeled perturbed field lines, while dphi/dt is related to the bounce-averaged gradient-curvature drift velocity. The advantage of assuming a dipole background magnetic field, as in these previous studies, is that the instantaneous dL*/dt can be computed analytically (with some approximations), as can the DLL that results from integrating dL*/dt over time and computing the expected value of (dL*)^2. The approach can also be applied to complex background magnetic field models like T89 or TS04, on top of which the small perturbations are added, but an analytical solution is not possible and so a numerical solution must be implemented. In this talk, I discuss our progress in implementing a numerical solution to the calculation of DL*L* using arbitrary background field models with simple electromagnetic perturbations.

58 GEOSCIENCES↗

A high-order finite difference method for moving immersed domain boundaries and material interfaces

Here, we present a high-order sharp treatment of immersed moving domain boundaries and material interfaces, and apply it to the advection-diffusion equation in two and three dimensions. The spatial discretization combines dimension-split finite difference schemes with an immersed boundary treatment based on a weighted least-squares reconstruction of the solution, providing stable discretizations with up to sixth order accuracy for diffusion terms and third order accuracy for advection terms. The temporal discretization relies on a novel strategy for maintaining high-order temporal accuracy in problems with moving boundaries that minimizes implementation complexity and allows arbitrary explicit or diagonally-implicit Runge-Kutta schemes. The approach is broadly compatible with popular PDE-specialized Runge-Kutta time integrators, including low-storage, strong stability preserving, and diagonally implicit schemes. Through numerical experiments we demonstrate that the full discretization maintains high-order spatial and temporal accuracy in the presence of complex 3D geometries and for a range of boundary conditions, including Dirichlet, Neumann, and flux conditions with large jumps in coefficients.

97 MATHEMATICS AND COMPUTING↗

Multilevel Monte Carlo simulation of Coulomb collisions

We present a new, for plasma physics, highly efficient multilevel Monte Carlo numerical method for simulating Coulomb collisions. The method separates and optimally minimizes the finite-timestep and finite-sampling errors inherent in the Langevin representation of the Landau–Fokker–Planck equation. It does so by combining multiple solutions to the underlying equations with varying numbers of timesteps. For a desired level of accuracy ε, the computational cost of the method is O(ε{sup −2}) or O(ε{sup −2}(lnε){sup 2}), depending on the underlying discretization, Milstein or Euler–Maruyama respectively. This is to be contrasted with a cost of O(ε{sup −3}) for direct simulation Monte Carlo or binary collision methods. We successfully demonstrate the method with a classic beam diffusion test case in 2D, making use of the Lévy area approximation for the correlated Milstein cross terms, and generating a computational saving of a factor of 100 for ε=10{sup −5}. We discuss the importance of the method for problems in which collisions constitute the computational rate limiting step, and its limitations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evolution of planar fractures in limestone: The role of flow rate, mineral heterogeneity and local transport processes

In this study, the processes that affect the evolution of fracture geometry and reactive transport in limestone fractures were evaluated using an integrated experimental and modeling approach. Flow-through experiments were performed to investigate the alteration of three artificially made planar limestone fractures, which were exposed to HCl-acidified water flow (pH 3.8 ± 0.1) at three different rates. Reactive infiltration instability developed in the fractures because of small fracture aperture variations and naturally occurring heterogeneity in the rock, i.e., the presence of clay spots of higher porosity. The dissolution regime changed from conical to dominant and ramified wormhole with increasing flow rate, i.e., Péclet number. Maps of fracture aperture obtained from X-ray micro-tomography imaging, together with measurements of permeability and analyses of fluid chemistry, provided experimental constraints for modeling. Numerical simulations were performed using a 2.5D continuum reactive transport model to examine the development of flow patterns and the reactivity and permeability evolution over time, and to interrogate the impacts of fluid reactivity, mineral heterogeneity and diffusive boundary layer. The modeling results showed that fracture alteration is very sensitive to initial fluid reactivity and mineralogical heterogeneity, in addition to flow rate. Finally, the changes of local transport processes during fracture opening also affected the reactivity of the fractured samples.

58 GEOSCIENCES↗

Charge Hopping Dynamics along a Disordered Chain in Quantum Environments: Comparative Study of Different Rate Kernels

This work presents a computational study of charge hopping dynamics along a one-dimensional chain with Gaussian site energy disorder and linearly coupled quantum bath. Time dependent square displacements are calculated directly from numerical solutions of Pauli master equations, for five different rate kernels: exact Fermi golden rule (FGR) rate expression, stationary phase interpolation (SPI) approximation, semiclassical (SC) approximation, classical Marcus rate expression, and Miller-Abrahams expression. All results demonstrate diffusive behavior in the steady state limit. The results based on the FGR rate expression show that the charge transport in the quantum bath can be much more sensitive to the disorder than the prediction from the classical Marcus expression. While the SPI approximation captures this general trend reasonably well, the SC approximation tends to be unreliable at both quantitative and qualitative levels and becomes even worse than the classical Marcus expression under certain conditions. Furthermore, these results offer useful guidance in the choice of approximate rate kernels for larger-scale simulations and also demonstrate significant but fragile positive effects of quantum environments on the charge hopping dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ISOTHERMAL DISTRIBUTIONS IN MONDian GRAVITY AS A SIMPLE UNIFYING EXPLANATION FOR THE UBIQUITOUS{rho}{proportional_to}r {sup -3} DENSITY PROFILES IN TENUOUS STELLAR HALOS

That the stellar halo of the Milky Way has a density profile which, to first approximation, satisfies{rho}{proportional_to}r {sup -3} and has been known for a long time. More recently, it has become clear that M31 also has such an extended stellar halo, which approximately follows the same radial scaling. Studies of distant galaxies have revealed the same phenomenology. Also, we now know that the density profiles of the globular cluster systems of our Galaxy and Andromeda to first approximation follow{rho}{proportional_to}r {sup -3},{Sigma}{proportional_to}R {sup -2} in projection. Recently, diffuse populations of stars have been detected spherically surrounding a number of Galactic globular clusters, extending much beyond the Newtonian tidal radii, often without showing any evidence of tidal features. Within the standard Newtonian and general relativity scenario, numerous and diverse particular explanations have been suggested, individually tailored to each of the different classes of systems described above. Here we show that in a MONDian gravity scenario any isothermal tenuous halo of tracer particles forming a small perturbation surrounding a spherically symmetric mass distribution will have an equilibrium configuration which to first approximation satisfies a{rho}{proportional_to}r {sup -3} scaling.

79 ASTRONOMY AND ASTROPHYSICS↗

Emergent hydrodynamic mode on SU(2) plaquette chains and quantum simulation

We search for emergent hydrodynamic modes in real-time Hamiltonian dynamics of 2+1-dimensional SU(2) lattice gauge theory on a quasi-one-dimensional plaquette chain, by numerically computing symmetric correlation functions of energy densities on lattice sizes of about 20 with the local Hilbert space truncated at 𝑗 max = $\frac{1}{2}$. Because of the Umklapp processes, we only find a mode for energy diffusion. The symmetric correlator exhibits transport peak near zero frequency with a width approximately proportional to momentum squared at small momentum, when the system is fully quantum ergodic, as indicated by the eigenenergy level statistics. This transport peak leads to a power-law 𝑡 −$\frac{1}{2}$ decay of the symmetric correlator at late time, also known as the long-time tail, as well as diffusionlike spreading in position space. We also introduce a quantum algorithm for computing the symmetric correlator on a quantum computer and find it gives results consistent with exact diagonalization when tested on the IBM emulator. Finally we discuss the future prospect of searching for the sound modes.

Hamiltonian systems↗

Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma

Understanding many processes, e.g., fusion experiments, planetary interiors, and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter and hot dense plasma. This complex state of matter consists of a transient mixture of degenerate and nearly free electrons, molecules, and ions. This regime challenges both experiment and analytical modeling, necessitating predictive ab initio atomistic computation, typically based on quantum mechanical Kohn-Sham density functional theory (KS-DFT). However, cubic computational scaling with temperature and system size prohibits the use of DFT through much of the warm dense matter regime. A recently developed stochastic approach to KS-DFT can be used at high temperatures, with the exact same accuracy as the deterministic approach, but the stochastic error can converge slowly and it remains expensive for intermediate temperatures (< 50 eV). Here we have developed a universal mixed stochastic-deterministic algorithm for DFT at any temperature. This approach leverages the physics of KS-DFT to seamlessly integrate the best aspects of these different approaches. We demonstrate that this method significantly accelerated self-consistent field calculations for temperatures from 3 to 50 eV, while producing stable molecular dynamics and accurate diffusion coefficients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

2017 Status report-Tritium aging studies on stainless steel: Effect of hydrogen, tritium and decay helium on the fracture-toughness properties of stem, cup and block forgings

The materials of construction of tritium reservoirs are forged stainless steels. During service, the structural properties of the stainless steel change over time because of the diffusion of tritium into the reservoir wall and its radioactive decay to helium-3. This aging effect can cause cracks to initiate and grow which could result in a tritium leak or delayed failure of a tritium reservoir. Numerous factors affect the tendency for crack formation and propagation and are being investigated in this program. The goal of the research is to provide relevant fracture mechanics data that can be used by the design agencies in their assessments of tritium reservoir structural integrity. In this status report, new experimental results are presented on the effects of tritium and decay helium on the cracking properties of specimens taken from actual tritium reservoir forgings instead of the experimental forgings of past programs. The properties measured are more representative of actual reservoir properties because the microstructure of the specimens tested are more like that of the actual tritium reservoirs. The program was designed to measure the effects of material variables on tritium compatibility and includes two stainless steels (Type 304L and 316L stainless steel), multiple yield strengths (360-500 MPa), and multiple forging shapes (Stem, Cup, and Block).

36 MATERIALS SCIENCE↗

GALACTIC COSMIC-RAY INTENSITY MODULATION BY COROTATING INTERACTION REGION STREAM INTERFACES AT 1 au

We present a new model that couples galactic cosmic-ray (GCR) propagation with magnetic turbulence transport and the MHD background evolution in the heliosphere. The model is applied to the problem of the formation of corotating interaction regions (CIRs) during the last solar minimum from the period between 2007 and 2009. The numerical model simultaneously calculates the large-scale supersonic solar wind properties and its small-scale turbulent content from 0.3 au to the termination shock. Cosmic rays are then transported through the background, and thus computed, with diffusion coefficients derived from the solar wind turbulent properties, using a stochastic Parker approach. Our results demonstrate that GCR variations depend on the ratio of diffusion coefficients in the fast and slow solar winds. Stream interfaces inside the CIRs always lead to depressions of the GCR intensity. On the other hand, heliospheric current sheet (HCS) crossings do not appreciably affect GCR intensities in the model, which is consistent with the two observations under quiet solar wind conditions. Therefore, variations in diffusion coefficients associated with CIR stream interfaces are more important for GCR propagation than the drift effects of the HCS during a negative solar minimum.

79 ASTRONOMY AND ASTROPHYSICS↗

HYDRODYNAMICAL INTERACTION OF MILDLY RELATIVISTIC EJECTA WITH AN AMBIENT MEDIUM

The hydrodynamical interaction of spherical ejecta freely expanding at mildly relativistic speeds into an ambient cold medium is studied in semianalytical and numerical ways to investigate how ejecta produced in energetic stellar explosions dissipate their kinetic energy through the interaction with the surrounding medium. We especially focus on the case in which the circumstellar medium (CSM) is well represented by a steady wind at a constant mass-loss rate, having been ejected from the stellar surface prior to the explosion. As a result of the hydrodynamical interaction, the ejecta and CSM are swept by the reverse and forward shocks, leading to the formation of a geometrically thin shell. We present a semianalytical model describing the dynamical evolution of the shell and compare the results with numerical simulations. The shell can give rise to bright emission as it gradually becomes transparent to photons. We develop an emission model for the expected emission from the optically thick shell, in which photons in the shell gradually diffuse out to the interstellar space. Then we investigate the possibility that radiation powered by the hydrodynamical interaction is the origin of an underluminous class of gamma-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗