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At least 19 records

A linearity preserving nodal variation limiting algorithm for continuous Galerkin discretization of ideal MHD equations

A stabilized continuous Galerkin (CG) method for magnetohydrodynamics (MHD) is presented herein. Ideal, compressible inviscid MHD equations are discretized in space on unstructured meshes using piecewise linear or bilinear finite element bases to get a semi-discrete scheme. Stabilization is then introduced to the semi-discrete method in a strategy that follows the algebraic flux correction paradigm. This involves adding some artificial diffusion to the high order, semi-discrete method and mass lumping in the time derivative term. The result is a low order method that provides local extremum diminishing properties for hyperbolic systems. The difference between the low order method and the high order method is scaled element-wise using a limiter and added to the low order scheme. The limiter is solution dependent and computed via an iterative linearity preserving nodal variation limiting strategy. The stabilization also involves an optional consistent background high order dissipation that reduces phase errors. The resulting stabilized scheme is a semi-discrete method that can be applied to inviscid shock MHD problems and may be even extended to resistive and viscous MHD problems. To satisfy the divergence free constraint of the MHD equations, we add parabolic divergence cleaning to the system. Various time integration methods can be used to discretize the scheme in time. We demonstrate the robustness of the scheme by solving several shock MHD problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Linearity-Preserving Limiters on Irregular Grids

This paper examines the behavior of flux and slope limiters on non-uniform grids in multiple dimensions. We note that on non-uniform grids the scalar formulation in standard use today sacrifices k-exactness, even for linear solutions, impacting both accuracy and convergence. We rewrite some well-known limiters in a n way to highlight their underlying symmetry, and use this to examine both traditional and novel limiter formulations. A consistent method of handling stretched meshes is developed, as is a new directional formulation in multiple dimensions for irregular grids. Results are presented demonstrating improved accuracy and convergence using a combination of model problems and complex three-dimensional examples.

Berger, Marsha↗

Analysis of Slope Limiters on Irregular Grids

This paper examines the behavior of flux and slope limiters on non-uniform grids in multiple dimensions. Many slope limiters in standard use do not preserve linear solutions on irregular grids impacting both accuracy and convergence. We rewrite some well-known limiters to highlight their underlying symmetry, and use this form to examine the proper - ties of both traditional and novel limiter formulations on non-uniform meshes. A consistent method of handling stretched meshes is developed which is both linearity preserving for arbitrary mesh stretchings and reduces to common limiters on uniform meshes. In multiple dimensions we analyze the monotonicity region of the gradient vector and show that the multidimensional limiting problem may be cast as the solution of a linear programming problem. For some special cases we present a new directional limiting formulation that preserves linear solutions in multiple dimensions on irregular grids. Computational results using model problems and complex three-dimensional examples are presented, demonstrating accuracy, monotonicity and robustness.

Berger, Marsha↗

A Note on the Effects of Linear Topology Preservation in Monte Carlo Simulations of Knotted Proteins

Monte Carlo simulations are a powerful technique and are widely used in different fields. When applied to complex molecular systems with long chains, such as those in synthetic polymers and proteins, they have the advantage of providing a fast and computationally efficient way to sample equilibrium ensembles and calculate thermodynamic and structural properties under desired conditions. Conformational Monte Carlo techniques employ a move set to perform the transitions in the simulation Markov chain. While accepted conformations must preserve the sequential bonding of the protein chain model and excluded volume among its units, the moves themselves may take the chain across itself. We call this a break in linear topology preservation. In this manuscript, we show, using simple protein models, that there is no difference in equilibrium properties calculated with a move set that preserves linear topology and one that does not. However, for complex structures, such as those of deeply knotted proteins, the preservation of linear topology provides correct equilibrium results but only after long relaxation. In any case, to analyze folding pathways, knotting mechanisms and folding kinetics, the preservation of linear topology may be an unavoidable requirement.

Especial, João N. C. (ORCID:0000000254765370)↗

Optimization-based, property-preserving algorithm for passive tracer transport

Here we present a new optimization-based property-preserving algorithm for passive tracer transport. The algorithm utilizes a semi-Lagrangian approach based on incremental remapping of the mass and the total tracer. However, unlike traditional semi-Lagrangian schemes, which remap the density and the tracer mixing ratio through monotone reconstruction or flux correction, we utilize an optimization-based remapping that enforces conservation and local bounds as optimization constraints. In so doing we separate accuracy considerations from preservation of physical properties to obtain a conservative, second-order accurate transport scheme that also has a notion of optimality. Moreover, we prove that the optimization-based algorithm preserves linear relationships between tracer mixing ratios. We illustrate the properties of the new algorithm using a series of standard tracer transport test problems in a plane and on a sphere.

97 MATHEMATICS AND COMPUTING↗

Conservative remapping of material-dependent fields between possibly misaligned material regions

In this work, we propose an interpolation or remapping algorithm of material-dependent fields on polyhedral meshes where any source or target cell contains only one material. It is conservative and it preserves sharp material boundaries on the target mesh, even if the source and target regions delineating the same material are slightly misaligned. If those material regions are aligned, then the algorithm is also linearity-preserving and bounds-preserving. For a given material, it consists of a conservative field reconstruction on a target mesh part from a source mesh part associated with that material, followed by a repair step in case of misaligned boundaries. No assumption is made regarding the topology of the input meshes

36 MATERIALS SCIENCE↗

Adapting Secure MultiParty Computation to Support Machine Learning in Radio Frequency Sensor Networks

In this project we developed and validated algorithms for privacy-preserving linear regression using a new variant of Secure Multiparty Computation (MPC) we call "Hybrid MPC" (hMPC). Our variant is intended to support low-power, unreliable networks of sensors with low-communication, fault-tolerant algorithms. In hMPC we do not share training data, even via secret sharing. Thus, agents are responsible for protecting their own local data. Only the machine learning (ML) model is protected with information-theoretic security guarantees against honest-but-curious agents. There are three primary advantages to this approach: (1) after setup, hMPC supports a communication-efficient matrix multiplication primitive, (2) organizations prevented by policy or technology from sharing any of their data can participate as agents in hMPC, and (3) large numbers of low-power agents can participate in hMPC. We have also created an open-source software library named "Cicada" to support hMPC applications with fault-tolerance. The fault-tolerance is important in our applications because the agents are vulnerable to failure or capture. We have demonstrated this capability at Sandia's Autonomy New Mexico laboratory through a simple machine-learning exercise with Raspberry Pi devices capturing and classifying images while flying on four drones.

42 ENGINEERING↗

Unification of some advection schemes in two dimensions

The relationship between two approaches towards construction of genuinely two-dimensional upwind advection schemes is established. One of these approaches is of the control volume type applicable on structured cartesian meshes. It resulted in the compact high resolution schemes capable of maintaining second order accuracy in both homogeneous and inhomogeneous cases. Another one is the fluctuation splitting approach, which is well suited for triangular (and possibly) unstructured meshes. Understanding the relationship between these two approaches allows us to formulate here a new fluctuation splitting high resolution (i.e. possible use of artificial compression, while maintaining positivity property) scheme. This scheme is shown to be linearity preserving in inhomogeneous as well as homogeneous cases.

Sidilkover, D.↗

F-ANG+: A 3-D Augmented-Stencil Face-Averaged Nodal-Gradient Cell-Centered Finite-Volume Method for Hypersonic Flows

We describe the extension of a 2-D simplified face-averaged nodal-gradient (F-ANG) method to 3-D and demonstrate that the 3-D simplified F-ANG method is accomplished by augmenting the nodecentered gradient least squares stencil. This augmented stencil F-ANG method is shown to result in advection and diffusion schemes that are stable for hexahedral, prismatic, pyramidal and tetrahedral cells without having to resort to cell-averaged nodal gradients. In addition, we describe the modifications to the augmented stencil required to support the use of wall function boundary conditions. Finally we describe a consistent, face-stencil based multi-dimensional limiter procedure (MLP), and show it to be fully consistent and compatible with the linearity-preserving unstructured- MUSCL (LP-U-MUSCL) scheme for all values of kappa. These methods and schema are implemented in the cell-centered finite-volume code VULCAN-CFD, which is then used to investigate whether the robustness improvements demonstrated in 2-D carry over to 3-D by computing hypersonic flows using mixed-element grids as well as highly adapted tetrahedral grids.

Weighted Least-Squares↗

Preserving Tracer Correlations in Moment-Based Atmospheric Transport Models

A linear non-diffusive algorithm for advective transport is developed that greatly improves the detail at which aerosols and clouds can be represented in atmospheric models. Linear advection schemes preserve tracer correlations but the most basic linear scheme is rarely used by atmospheric modelers on account of its excessive numerical diffusion. Higher-order schemes are in widespread use, but these present new problems as nonlinear adjustments are required to avoid occurrences of negative concentrations, spurious oscillations, and other non-physical effects. Generally successful at reducing numerical diffusion during the advection of individual tracers, for example, particle number or mass, the higher-order schemes fail to preserve even the simplest of correlations between interrelated tracers. As a result, important attributes of aerosol and cloud populations including radial moments of particle size distributions, molecular precursors related through chemical equilibria, aerosol mixing state, and distribution of cloud phase are poorly represented. We introduce a new transport scheme, minVAR, that is both non-diffusive and preservative of tracer correlations, thereby combining the best features of the basic and higher-order schemes while enabling new features such as the tracking of sub-grid information at arbitrarily fine scales with high computational efficiency.

54 ENVIRONMENTAL SCIENCES↗

Kinklike structures in an arcsin real scalar dynamics

Highlights: • Kinklike analyses in a real scalar theory with an arcsin dynamic. • First-order formalism implementation and deformation procedure in an arcsin scalar dynamics. In this paper, we analyze kink-like analytical solutions in a real scalar theory with an arcsin dynamics inspired by the arcsin electrodynamics presented in Kruglov (2015). This analysis is done by means of the first-order formalism. This formalism provides a framework where the equations of motion can be simplified by preserving the linear stability of the theory. In this work, the deformation procedure is implemented with the aim of finding exact solutions in systems with generalized dynamics. Along the paper, we explore how the first-order formalism is implemented in the arcsin kinetics and how such a term influences the kink-like solutions. As a part of the result of our paper, we show that the kink-like solutions are similar to the ones obtained in the standard scalar kinetic theory. We also show that the extra parameter, that controls the non-linearities of the model, plays an essential role in the energy densities and stability potentials. These quantities vary according to this parameter. The goals here are to show how the first-order framework is implemented in this arcsin scenario and to present the analytical kink-like solutions that can be found by means of the first-order framework and deformation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A scalable framework for efficient coupling of thermal and microstructural simulations in additive manufacturing

Predicting microstructure evolution in metal additive manufacturing (AM) is important for process optimization, but spatiotemporal scale disparities between thermal transport and microstructure evolution create significant challenges for efficient data transfer between simulation codes. To address this, we present Stork, a scalable framework for coupling thermal and microstructural simulations. Stork uses a sparse data representation to identify and store active solidification sub-volumes, enabling highly parallel quad-linear interpolation from coarse thermal grids to fine microstructure grids without large intermediate storage. We demonstrate the framework by coupling the semi-analytic heat transfer code 3DThesis with the time-parallel cellular automata code Toucan. This approach achieves over two orders of magnitude reduction in data generation time and file size compared to prior workflows. Numerical studies show that quad-linear interpolation preserves grain morphology and crystallographic texture in laser powder bed fusion (LPBF) simulations for coarsening ratios up to 16. Overall, Stork provides a scalable pathway for high-throughput, component-scale AM simulations on modern high-performance computing systems.

36 MATERIALS SCIENCE↗

High-entropy engineering of the crystal and electronic structures in a Dirac material

Dirac and Weyl semimetals are a central topic of contemporary condensed matter physics, and the discovery of new compounds with Dirac/Weyl electronic states is crucial to the advancement of topological materials and quantum technologies. Here we show a widely applicable strategy that uses high configuration entropy to engineer relativistic electronic states. We take the A MnSb 2 ( A = Ba, Sr, Ca, Eu, and Yb) Dirac material family as an example and demonstrate that mixing of Ba, Sr, Ca, Eu and Yb at the A site generates the compound (Ba 0.38 Sr 0.14 Ca 0.16 Eu 0.16 Yb 0.16 )MnSb 2 (denoted as A 5 MnSb 2 ), giving access to a polar structure with a space group that is not present in any of the parent compounds. A 5 MnSb 2 is an entropy-stabilized phase that preserves its linear band dispersion despite considerable lattice disorder. Although both A 5 MnSb 2 and A MnSb 2 have quasi-two-dimensional crystal structures, the two-dimensional Dirac states in the pristine A MnSb 2 evolve into a highly anisotropic quasi-three-dimensional Dirac state triggered by local structure distortions in the high-entropy phase, which is revealed by Shubnikov–de Haas oscillations measurements.

36 MATERIALS SCIENCE↗

Design of adaptive control systems by means of self-adjusting transversal filters

The design of closed-loop adaptive control systems based on nonparametric identification was addressed. Implementation is by self-adjusting Least Mean Square (LMS) transversal filters. The design concept is Model Reference Adaptive Control (MRAC). Major issues are to preserve the linearity of the error equations of each LMS filter, and to prevent estimation bias that is due to process or measurement noise, thus providing necessary conditions for the convergence and stability of the control system. The controlled element is assumed to be asymptotically stable and minimum phase. Because of the nonparametric Finite Impulse Response (FIR) estimates provided by the LMS filters, a-priori information on the plant model is needed only in broad terms. Following a survey of control system configurations and filter design considerations, system implementation is shown here in Single Input Single Output (SISO) format which is readily extendable to multivariable forms. In extensive computer simulation studies the controlled element is represented by a second-order system with widely varying damping, natural frequency, and relative degree.

Merhav, S. J.↗

Toward a proof of entropy increase in the presence of quantum black holes

A sufficient condition for the quantum entropy to be nondecreasing under a trace-preserving positive linear map is that the 'totally random' state be stationary. It is argued that this condition will be satisfied by the quantum system consisting of the region external to one or more black holes. This would explain why a 'generalized second law of thermodynamics' appears to hold in the presence of black holes.

Sorkin, R. D.↗

A solution scheme for the Euler equations based on a multi-dimensional wave model

A scheme for the solution of scalar advection on an unstructured mesh has been developed, tested, and extended to the Euler equations. The scheme preserves a linear function exactly, and yields nearly monotone results. The flux function associated with the Euler scheme is based on a discrete 'wave model' for the system of equations. The wave model decomposes the solution gradient at a location into shear waves, entropy waves and acoustic waves and calculates the speeds, strengths and directions associated with the waves. The approach differs from typical flux-difference splitting schemes in that the waves are not assumed to propagate normal to the faces of the control volumes; directions of propagation of the waves are instead computed from solution-gradient information. Results are shown for three test cases, and two different wave models. The results are compared to those from other approaches, including MUSCL and Galerkin least squares schemes.

Powell, Kenneth G.↗

Nonlinear Modeling by Assembling Piecewise Linear Models

To preserve nonlinearity of a full order system over a parameters range of interest, we propose a simple modeling approach by assembling a set of piecewise local solutions, including the first-order Taylor series terms expanded about some sampling states. The work by Rewienski and White inspired our use of piecewise linear local solutions. The assembly of these local approximations is accomplished by assigning nonlinear weights, through radial basis functions in this study. The efficacy of the proposed procedure is validated for a two-dimensional airfoil moving at different Mach numbers and pitching motions, under which the flow exhibits prominent nonlinear behaviors. All results confirm that our nonlinear model is accurate and stable for predicting not only aerodynamic forces but also detailed flowfields. Moreover, the model is robustness-accurate for inputs considerably different from the base trajectory in form and magnitude. This modeling preserves nonlinearity of the problems considered in a rather simple and accurate manner.

Yao, Weigang↗