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At least 1,369 records · Page 76

Magnetohydrodynamic simulation study of plasma jets and plasma-surface contact in coaxial plasma accelerators

Recent experiments by Loebner et al. [IEEE Trans. Plasma Sci. 44, 1534 (2016)] studied the effect of a hypervelocity jet emanating from a coaxial plasma accelerator incident on target surfaces in an effort to mimic the transient loading created during edge localized mode disruption events in fusion plasmas. In this study, we present a magnetohydrodynamic (MHD) numerical model to simulate plasma jet formation and plasma-surface contact in this coaxial plasma accelerator experiment. The MHD system of equations is spatially discretized using a cell-centered finite volume formulation. The temporal discretization is performed using a fully implicit backward Euler scheme and the resultant stiff system of nonlinear equations is solved using the Newton method. The numerical model is employed to obtain some key insights into the physical processes responsible for the generation of extreme stagnation conditions on the target surfaces. Simulations of the plume (without the target plate) are performed to isolate and study phenomena such as the magnetic pinch effect that is responsible for launching pressure pulses into the jet free stream. The simulations also yield insights into the incipient conditions responsible for producing the pinch, such as the formation of conductive channels. The jet-target impact studies indicate the existence of two distinct stages involved in the plasma-surface interaction. A fast transient stage characterized by a thin normal shock transitions into a pseudo-steady stage that exhibits an extended oblique shock structure. A quadratic scaling of the pinch and stagnation conditions with the total current discharged between the electrodes is in qualitative agreement with the results obtained in the experiments. Finally, this also illustrates the dominant contribution of the magnetic pressure term in determining the magnitude of the quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Utilizing a Novel Acoustic Backscatter Array to Characterize Waste Consolidation and Settling in a Horizontal Flow Clarifier - 16051

As part of a collaboration between the University of Leeds, Sellafield Ltd and MMI Engineering Ltd, bespoke acoustic instrumentation and numerical simulation methods have been established to optimize nuclear legacy waste transfers. Specifically, a new ultrasonic measurement system has been developed, allowing suspended particle concentration and consolidation to be measured remotely. This technology has been combined with computational fluid dynamics (CFD) modelling of settling particulate systems, permitting full characterization, simulation and prediction of sludge separation processes. Presented here are experimental and numerical results on the transport and settling behavior of non-active nuclear-analogue suspensions in two flow geometries: gravitational settling of glass dispersions in a 250-liter column; and transport and sedimentation of flocculated calcite in a close-to-full-scale clarifier (9 m{sup 3} total volume and 4.8 m{sup 2} length). In addition, details of the design, construction and calibration of a custom-built Ultrasonic Array Research Platform (UARP) are described. Settling column results suggested that particle concentration changes could be simulated with good accuracy by a CFD model (developed using the open source OpenFOAM framework) when compared to measured samples. Large-scale clarifier trials were used to assess the effectiveness of the UARP controller with an attached in situ acoustic backscatter array (ABA). The ABA consisted of 8 transducers angled down at 20 deg. to the vertical, pulsing at 2-2.5 MHz in cycles (covering 1.8 m total depth). In comparison to a range of sampled concentrations across the length of the clarifier, results confirmed that the UARP-ABA system was highly successful at characterizing these complex flows over several hours of operation, allowing visualization of depth-wise bulk density changes and bed build-up over time. Collectively, this work highlights the capability of these tools to monitor and optimize a number of current waste transfer operations at Sellafield, with further potential applications for solid-liquid separations across waste, water treatment and minerals engineering industries. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Plan to Verify and Validate Multi-Hazard Risk-Informed Margin Management Methods and Tools

This report describes the development plan for verification and validation (V&V) of multihazard risk informed margin management (RIMM) methods and tools. The plan will include using new INL developed tool sets coupled with the new multi-partner External Hazards Experimental Group (EHEG) coordinated by the Idaho National Laboratory (INL) within the Risk-Informed Safety Margin Characterization (RISMC) technical pathway of the Light Water Reactor Sustainability Program. The RISMC pathway is developing a suite of new tools and methods for advanced evaluation of facility risk. The RISMC toolkit, includes tools and methods focused on evaluation of risk from external hazards (e.g, seismic and flooding events), which have been shown to be dominant risk contributors in probabilistic risk assessments performed for operating nuclear power plants (NPPs). The external events activity (EEA) within the RISMC pathway is tasked with developing tools and methods focused on evaluation of multi-hazard external risk (e.g, seismic and flooding events). The EHEG will provide technical expertise and experimental large-scale testing data needed for development and validation of tools and methods in the RISMC toolkit for external hazard safety evaluations. The EEA within RISMC has two key elements: (1) an organizational and research framework provided by INL and (2) a coordinated group of university and national laboratory partners with the complementary expertise and experimental capabilities needed to conduct large-scale external hazard-focused experiments. This cooperative group will allow INL to leverage a range of existing capabilities to meet the unique needs of RISMC tool and method development. In addition, the capabilities of the EHEG could be used to address needs of other national laboratories. Currently, there is limited data available for development and validation of the tools and methods being developed in the RISMC Toolkit. The EHEG is being developed to obtain high quality, large-scale experimental data validation of RISMC tools and methods in a timely and cost-effective way. The group of universities and national laboratories that will eventually form the EHEG (which is ultimately expected to include both the initial participants and other universities and national laboratories that have been identified) have the expertise and experimental capabilities needed to both obtain and compile existing data archives and perform additional seismic and flooding experiments. The data developed by EHEG will be stored in databases within RISMC. These databases will be used to validate the advanced external hazard tools and methods. The numerical tools under development in RISMC are used to evaluate the impacts that external hazards have on nuclear power plants. These analysis tools will be used to advanced current risk calculation processes and reduce uncertainty in these calculations. To have confidence in the predictive capability of these numerical tools it is important to verify and validate them. To verify and validate numerical tools the user must understand what physics is being used to represent the problem (i.e. constitutive models used to represent the soil and structure), the numerical solver approach used (i.e. finite element), what data already exists that could be used to validate the tools, and what data is needed for validation.

31274↗

Fornax: A Flexible Code for Multiphysics Astrophysical Simulations

This paper describes the design and implementation of our new multigroup, multidimensional radiation hydrodynamics code Fornax and provides a suite of code tests to validate its application in a wide range of physical regimes. Instead of focusing exclusively on tests of neutrino radiation hydrodynamics relevant to the core-collapse supernova problem for which Fornax is primarily intended, we present here classical and rigorous demonstrations of code performance relevant to a broad range of multidimensional hydrodynamic and multigroup radiation hydrodynamic problems. Our code solves the comoving-frame radiation moment equations using the M1 closure, utilizes conservative high-order reconstruction, employs semi-explicit matter and radiation transport via a high-order time stepping scheme, and is suitable for application to a wide range of astrophysical problems. To this end, we first describe the philosophy, algorithms, and methodologies of Fornax and then perform numerous stringent code tests that collectively and vigorously exercise the code, demonstrate the excellent numerical fidelity with which it captures the many physical effects of radiation hydrodynamics, and show excellent strong scaling well above 100,000 MPI tasks.

79 ASTRONOMY AND ASTROPHYSICS↗

Reflectometry of X-ray Whispering Gallery Waves Propagating along Liquid Meniscuses

X-ray reflectometry of whispering galleries (WGs), which propagate along meniscuses of deionized water or silica hydrosols (Ludox{sup ®} SM) enriched by Cs{sup +} ions, was analyzed for the first time. The measurements were performed using the diffractometer with a moving tube-detector system. The X-ray beam rotation angle reached a maximum value of 4° on a silica hydrosol sample at CuK{sub α} radiation, while for H{sub 2}O it is only 1°. The intensities of WG modes propagating near the surface of a concave meniscus were found from the rigorous solution of the respective Helmholtz equation and applying the Monte Carlo technique for the random surface. For analysis of intensities of the X-ray scattering we used a hybrid model of the liquid surface with the upper transition layer having sinusoidal ripples in which the concentration of levitating Cs{sup +} ions has a maximum near the surface, derived from the experiment, while the concentration maximum for SiO{sub 2} particles with sizes of ~6–15 nm is positioned at the depth of ~15 nm from the hydrosol’s surface. Our numerical results for reflectances are in a good agreement with the experimental data.

36 MATERIALS SCIENCE↗

Ground-state-based model reduction with unitary circuits

Here, we present a method to numerically obtain low-energy effective models based on a unitary transformation of the ground state. The algorithm finds a unitary circuit that transforms the ground state of the original model to a projected wavefunction with only the low-energy degrees of freedom. The effective model can then be derived using the unitary transformation encoded in the circuit. We test our method on the one-dimensional and two-dimensional square-lattice Hubbard model at half-filling, and obtain more accurate effective spin models than the standard perturbative approach.

Hubbard model↗

Classifying photonic topology using the spectral localizer and numerical K -theory

Recently, the spectral localizer framework has emerged as an efficient approach for classifying topology in photonic systems featuring local nonlinearities and radiative environments. In nonlinear systems, this framework provides rigorous definitions for concepts such as topological solitons and topological dynamics, where a system’s occupation induces a local change in its topology due to nonlinearity. For systems embedded in radiative environments that do not possess a shared bulk spectral gap, this framework enables the identification of local topology and shows that local topological protection is preserved despite the lack of a common gap. However, as the spectral localizer framework is rooted in the mathematics of C*-algebras, and not vector bundles, understanding and using this framework requires developing intuition for a somewhat different set of underlying concepts than those that appear in traditional approaches for classifying material topology. In this tutorial, we introduce the spectral localizer framework from a ground-up perspective and provide physically motivated arguments for understanding its local topological markers and associated local measure of topological protection. In doing so, we provide numerous examples of the framework’s application to a variety of topological classes, including crystalline and higher-order topology. We then show how Maxwell’s equations can be reformulated to be compatible with the spectral localizer framework, including the possibility of radiative boundary conditions. To aid in this introduction, we also provide a physics-oriented introduction to multi-operator pseudospectral methods and numerical K-theory, two mathematical concepts that form the foundation for the spectral localizer framework. Finally, we provide some mathematically oriented comments on the C*-algebraic origins of this framework, including a discussion of real C*-algebras and graded C*-algebras that are necessary for incorporating physical symmetries. Looking forward, we hope that this tutorial will serve as an approachable starting point for learning the foundations of the spectral localizer framework.

97 MATHEMATICS AND COMPUTING↗

Cosmological neutrino simulations at extreme scale

Constraining neutrino mass remains an elusive challenge in modern physics. Precision measurements are expected from several upcoming cosmological probes of large-scale structure. Achieving this goal relies on an equal level of precision from theoretical predictions of neutrino clustering. Numerical simulations of the non-linear evolution of cold dark matter and neutrinos play a pivotal role in this process. We incorporate neutrinos into the cosmological N-body code CUBEP3M and discuss the challenges associated with pushing to the extreme scales demanded by the neutrino problem. We highlight code optimizations made to exploit modern high performance computing architectures and present a novel method of data compression that reduces the phase-space particle footprint from 24 bytes in single precision to roughly 9 bytes. We scale the neutrino problem to the Tianhe-2 supercomputer and provide details of our production run, named TianNu, which uses 86% of the machine (13,824 compute nodes). With a total of 2.97 trillion particles, TianNu is currently the world’s largest cosmological N-body simulation and improves upon previous neutrino simulations by two orders of magnitude in scale. We finish with a discussion of the unanticipated computational challenges that were encountered during the TianNu runtime.

79 ASTRONOMY AND ASTROPHYSICS↗

Subtractive procedure for calculating the anomalous electron magnetic moment in QED and its application for numerical calculation at the three-loop level

A new subtractive procedure for canceling ultraviolet and infrared divergences in the Feynman integrals described here is developed for calculating QED corrections to the electron anomalous magnetic moment. The procedure formulated in the form of a forest expression with linear operators applied to Feynman amplitudes of UV-diverging subgraphs makes it possible to represent the contribution of each Feynman graph containing only electron and photon propagators in the form of a converging integral with respect to Feynman parameters. The application of the developed method for numerical calculation of two- and threeloop contributions is described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Transport-constrained extensions of collision and track length estimators for solutions of radiative transport problems

In this paper we develop novel extensions of collision and track length estimators for the complete space-angle solutions of radiative transport problems. We derive the relevant equations, prove that our new estimators are unbiased, and compare their performance with that of more conventional estimators. Such comparisons based on numerical solutions of simple one dimensional slab problems indicate the the potential superiority of the new estimators for a wide variety of more general transport problems.

97 MATHEMATICS AND COMPUTING↗

Unraveling Electronic and Vibrational Coherences Following a Charge Transfer Process in a Photosystem II Reaction Center

A reaction center is a unique biological system that performs the initial charge separation within a Photosystem II (PSII) multiunit enzyme, which eventually drives the catalytic water-splitting in plants and algae. The possible role of quantum coherences coinciding with the energy and charge transfer processes in PSII reaction center is one of the active areas of research. Here, we study these quantum coherences by using a numerically exact method on an excitonic dimer model, including linear vibronic coupling and employing optimal parameters from experimental two-dimensional coherent spectroscopic measurements. This enables us to precisely capture the excitonic interaction between pigments and the dissipation of the energy from electronic and charge-transfer (CT) states to the protein environment. We employ the time nonlocal (TNL) quantum master equation to calculate the population dynamics, which yields numerically reliable results. The calculated results show that, due to the strong dissipation, the lifetime of electronic coherence is too short to have direct participation in the charge transfer processes. However, there are long-lived vibrational coherences present in the system at frequencies close to the excitionic energy gap. These are strongly coupled with the electronic coherences, which makes the detection of the electronic coherences with conventional techniques very challenging. Additionally, we unravel the strong excitonic interaction of radical pair (PD1 and PD2) in the reaction center, which results in a long-lived electronic coherence of >100 fs, even at room temperature. Our work provide important physical insight to the charge separation process in PSII reaction center, which may be helpful for better understanding of photophysical processes in other natural and artificial light-harvesting systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Computational general relativistic force-free electrodynamics: I. Multi-coordinate implementation and testing

General relativistic force-free electrodynamics is one possible plasma-limit employed to analyze energetic outflows in which strong magnetic fields are dominant over all inertial phenomena. The amazing images of black hole (BH) shadows from the Galactic Center and the M87 galaxy provide a first direct glimpse into the physics of accretion flows in the most extreme environments of the universe. The efficient extraction of energy in the form of collimated outflows or jets from a rotating BH is directly linked to the topology of the surrounding magnetic field. We aim at providing a tool to numerically model the dynamics of such fields in magnetospheres around compact objects, such as BHs and neutron stars. To do so, we probe their role in the formation of high energy phenomena such as magnetar flares and the highly variable teraelectronvolt emission of some active galactic nuclei. In this work, we present numerical strategies capable of modeling fully dynamical force-free magnetospheres of compact astrophysical objects. Here, we provide implementation details and extensive testing of our implementation of general relativistic force-free electrodynamics in Cartesian and spherical coordinates using the infrastructure of the E INSTEIN T OOLKIT . The employed hyperbolic/parabolic cleaning of numerical errors with full general relativistic compatibility allows for fast advection of numerical errors in dynamical spacetimes. Such fast advection of divergence errors significantly improves the stability of the general relativistic force-free electrodynamics modeling of BH magnetospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

Load Shedding for Voltage Regulation With Probabilistic Agent Compliance

With the increased observability and controllability of distribution systems, the share of behind-the-meter systems is trending upwards rapidly. As a consequence, the impact of human behaviors on system performance can no longer be ignored and should be reflected in the energy management system models. In this paper, we discuss the problem of distribution system voltage control by active power curtailment where the agent compliance of the load curtailment signal is probabilistic. We discuss the modeling of the optimal voltage control problem with probabilistic agent compliance as a chance-constrained optimization problem, its tractable safe approximation using convex restriction, and a scenario-based mixed-integer reformulation as well as the associated solution method based on augmented Lagrangian method. The numerical simulation on IEEE test system validates the effectiveness of the proposed approach in obtaining high-quality feasible load curtailment signal with low computational cost, which makes it a viable tool for real time decision making.

augmented Lagrangian method↗

Robust parallel iterative solvers for linear and least-squares problems (Final Technical Report)

The primary goal of this project is to study and develop robust iterative methods for solving linear systems of equations and least squares systems. The focus of the Minnesota team is on algorithms development, robustness issues, and on tests and validation of the methods on realistic problems. 1. The project begun with an investigation on how to practically update a preconditioner obtained from an ILU-type factorization, when the coefficient matrix changes. 2. We investigated strategies to improve robustness in parallel preconditioners in a specific case of a PDE with discontinuous coefficients. 3. We explored ways to adapt standard preconditioners for solving linear systems arising from the Helmholtz equation. These are often difficult linear systems to solve by iterative methods. 4. We have also worked on purely theoretical issues related to the analysis of Krylov subspace methods for linear systems. 5. We developed an effective strategy for performing ILU factorizations for the case when the matrix is highly indefinite. The strategy uses shifting in some optimal way. The method was extended to the solution of Helmholtz equations by using complex shifts, yielding very good results in many cases. 6. We addressed the difficult problem of preconditioning sparse systems of equations on GPUs. 7. A by-product of the above work is a software package consisting of an iterative solver library for GPUs based on CUDA. This was made publicly available. It was the first such library that offers complete iterative solvers for GPUs. 8. We considered another form of ILU which blends coarsening techniques from Multigrid with algebraic multilevel methods. 9. We have released a new version on our parallel solver - called pARMS [new version is version 3]. As part of this we have tested the code in complex settings - including the solution of Maxwell and Helmholtz equations and for a problem of crystal growth.10. As an application of polynomial preconditioning we considered the problem of evaluating f(A)v which arises in statistical sampling. 11. As an application to the methods we developed, we tackled the problem of computing the diagonal of the inverse of a matrix. This arises in statistical applications as well as in many applications in physics. We explored probing methods as well as domain-decomposition type methods. 12. A collaboration with researchers from Toulouse, France, considered the important problem of computing the Schur complement in a domain-decomposition approach. 13. We explored new ways of preconditioning linear systems, based on low-rank approximations.

97 MATHEMATICS AND COMPUTING↗

Covariance matrices for variance-suppressed simulations

ABSTRACT Cosmological N-body simulations provide numerical predictions of the structure of the Universe against which to compare data from ongoing and future surveys, but the growing volume of the Universe mapped by surveys requires correspondingly lower statistical uncertainties in simulations, usually achieved by increasing simulation sizes at the expense of computational power. It was recently proposed to reduce simulation variance without incurring additional computational costs by adopting fixed-amplitude initial conditions. This method has been demonstrated not to introduce bias in various statistics, including the two-point statistics of galaxy samples typically used for extracting cosmological parameters from galaxy redshift survey data, but requires us to revisit current methods for estimating covariance matrices of clustering statistics for simulations. In this work, we find that it is not trivial to construct covariance matrices analytically for fixed-amplitude simulations, but we demonstrate that ezmock (Effective Zel’dovich approximation mock catalogue), the most efficient method for constructing mock catalogues with accurate two- and three-point statistics, provides reasonable covariance matrix estimates for such simulations. We further examine how the variance suppression obtained by amplitude-fixing depends on three-point clustering, small-scale clustering, and galaxy bias, and propose intuitive explanations for the effects we observe based on the ezmock bias model.

79 ASTRONOMY AND ASTROPHYSICS↗

Extended virtual element method for the Laplace problem with singularities and discontinuities

In this paper, we propose the extended virtual element method (X-VEM) to treat singularities and crack discontinuities that arise in the Laplace problem. The virtual element method (VEM) is a stabilized Galerkin formulation on arbitrary polytopal meshes, wherein the basis functions are implicit (virtual)—they are not known explicitly nor do they need to be computed within the problem domain. In this work, suitable projection operators are used to decompose the bilinear form on each element into two parts: a consistent term that reproduces the first-order polynomial space and a correction term that ensures stability. A similar approach is pursued in the X-VEM with a few notable extensions. To capture singularities and discontinuities in the discrete space, we augment the standard virtual element space with an additional contribution that consists of the product of virtual nodal basis (partition-of-unity) functions with enrichment functions. For discontinuities, basis functions are discontinuous across the crack and for singularities a weakly singular enrichment function that satisfies the Laplace equation is chosen. For the Laplace problem with a singularity, we devise an extended projector that maps functions that lie in the extended virtual element space onto linear polynomials and the enrichment function, whereas for the discontinuous problem, the consistent element stiffness matrix has a block-structure that is readily computed. An adaptive homogeneous numerical integration method is used to accurately and efficiently (no element-partitioning is required) compute integrals with integrands that are weakly singular. Once the element projection matrix is computed, the same steps as in the standard VEM are followed to compute the element stabilization matrix. Numerical experiments are performed on quadrilateral and polygonal (convex and nonconvex elements) meshes for the problem of an $\textit{L}$-shaped domain with a corner singularity and the problem of a cracked membrane under mode III loading, and results are presented that affirm the sound accuracy and demonstrate the optimal rates of convergence in the $\textit{L}^2$ norm and energy of the proposed method.

42 ENGINEERING↗

Intermolecular polarizabilities in H{sub 2}-rare-gas mixtures (H{sub 2}–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties

The report presents results of theoretical and numerical analysis of the electrical properties related to the isotropic part of the polarizability induced by interactions within compounds built up of a hydrogen H{sub 2} molecule and a set of noble gas atoms, Rg, ranging from the least massive helium up to the heaviest xenon perturber. The Cartesian components of the collisional polarizabilities of the H{sub 2}–Rg systems are found by means of the quantum chemistry methods and their dependence on the intermolecular distance is determined. On the basis of these data, the spherical, symmetry adapted components of the trace polarizability are derived in order to provide data sets that are convenient for evaluating collisional spectral profiles of the isotropic polarized part of light scattered by the H{sub 2}–Rg mixtures. Three independent methods of numerical computing of the spectral intensities are applied at room temperature (295 K). The properties of the roto-translational profiles obtained are discussed in order to determine the role played by contributions corresponding to each of the symmetry adapted parts of the trace polarizability. By spreading the analysis over the collection of the H{sub 2}–Rg systems, evolution of the spectral properties with the growing masses of the supermolecular compounds can be observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow

We report, in fluid physics, data-driven models to enhance or accelerate time to solution are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In the context of reduced order models of high-dimensional time-dependent fluid systems, machine learning methods grant the benefit of automated learning from data, but the burden of a model lies on its reduced-order representation of both the fluid state and physical dynamics. In this work, we build a physics-constrained, data-driven reduced order model for Navier–Stokes equations to approximate spatiotemporal fluid dynamics in the canonical case of isotropic turbulence in a triply periodic box. The model design choices mimic numerical and physical constraints by, for example, implicitly enforcing the incompressibility constraint and utilizing continuous neural ordinary differential equations for tracking the evolution of the governing differential equation. We demonstrate this technique on a three-dimensional, moderate Reynolds number turbulent fluid flow. In assessing the statistical quality and characteristics of the machine-learned model through rigorous diagnostic tests, we find that our model is capable of reconstructing the dynamics of the flow over large integral timescales, favoring accuracy at the larger length scales. More significantly, comprehensive diagnostics suggest that physically interpretable model parameters, corresponding to the representations of the fluid state and dynamics, have attributable and quantifiable impact on the quality of the model predictions and computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗