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Rao-Blackwellization for Adaptive Gaussian Sum Nonlinear Model Propagation

When dealing with imperfect data and general models of dynamic systems, the best estimate is always sought in the presence of uncertainty or unknown parameters. In many cases, as the first attempt, the Extended Kalman filter (EKF) provides sufficient solutions to handling issues arising from nonlinear and non-Gaussian estimation problems. But these issues may lead unacceptable performance and even divergence. In order to accurately capture the nonlinearities of most real-world dynamic systems, advanced filtering methods have been created to reduce filter divergence while enhancing performance. Approaches, such as Gaussian sum filtering, grid based Bayesian methods and particle filters are well-known examples of advanced methods used to represent and recursively reproduce an approximation to the state probability density function (pdf). Some of these filtering methods were conceptually developed years before their widespread uses were realized. Advanced nonlinear filtering methods currently benefit from the computing advancements in computational speeds, memory, and parallel processing. Grid based methods, multiple-model approaches and Gaussian sum filtering are numerical solutions that take advantage of different state coordinates or multiple-model methods that reduced the amount of approximations used. Choosing an efficient grid is very difficult for multi-dimensional state spaces, and oftentimes expensive computations must be done at each point. For the original Gaussian sum filter, a weighted sum of Gaussian density functions approximates the pdf but suffers at the update step for the individual component weight selections. In order to improve upon the original Gaussian sum filter, Ref. [2] introduces a weight update approach at the filter propagation stage instead of the measurement update stage. This weight update is performed by minimizing the integral square difference between the true forecast pdf and its Gaussian sum approximation. By adaptively updating each component weight during the nonlinear propagation stage an approximation of the true pdf can be successfully reconstructed. Particle filtering (PF) methods have gained popularity recently for solving nonlinear estimation problems due to their straightforward approach and the processing capabilities mentioned above. The basic concept behind PF is to represent any pdf as a set of random samples. As the number of samples increases, they will theoretically converge to the exact, equivalent representation of the desired pdf. When the estimated qth moment is needed, the samples are used for its construction allowing further analysis of the pdf characteristics. However, filter performance deteriorates as the dimension of the state vector increases. To overcome this problem Ref. [5] applies a marginalization technique for PF methods, decreasing complexity of the system to one linear and another nonlinear state estimation problem. The marginalization theory was originally developed by Rao and Blackwell independently. According to Ref. [6] it improves any given estimator under every convex loss function. The improvement comes from calculating a conditional expected value, often involving integrating out a supportive statistic. In other words, Rao-Blackwellization allows for smaller but separate computations to be carried out while reaching the main objective of the estimator. In the case of improving an estimator's variance, any supporting statistic can be removed and its variance determined. Next, any other information that dependents on the supporting statistic is found along with its respective variance. A new approach is developed here by utilizing the strengths of the adaptive Gaussian sum propagation in Ref. [2] and a marginalization approach used for PF methods found in Ref. [7]. In the following sections a modified filtering approach is presented based on a special state-space model within nonlinear systems to reduce the dimensionality of the optimization problem in Ref. [2]. First, the adaptive Gaussian sum propagation is explained and then the new marginalized adaptive Gaussian sum propagation is derived. Finally, an example simulation is presented.

state estimation↗

Probe corrected far-field reconstruction from measurements on a cylinder: A novel formulation and efficient algorithm

A novel and numerically efficient method of far field evaluation from measurements taken on a cylinder is based on the representation of both the antenna and the probe fields as superpositions of plane waves. A system of two integral equations are established whose unknown functions are the azimuthal and elevation components of the antenna pattern and whose known terms are the set of measurement data taken with two different probes - the second probe in most practical instances being simply the same probe with a different geometrical orientation. The equations express the known data - for each angular position of the antenna under measurement - as the integrals of the products of the corresponding components of the unknown antenna and known probe patterns multiplied by a phase term. The convolutional nature of the integral equations makes their solutions straight-forward. If, as is virtually always the case, the probe is small or of moderate size so that the axis of rotation of the antenna mount is in the far field of the probe, the intervention of asymptotic techniques makes the solution numerically very efficient. The agreement of calculated and experimental patterns is excellent.

Borgiotti, G. V.↗

A novel ignition model for low velocity impact of heterogeneous explosives based on interacting hot spots

While numerous studies have focused on the ignition of explosives occurring in high velocity impact and the associated shock-to-detonation transition, there has been growing interest in developing computational models focused on low-velocity impact regimes. A predictive low-velocity impact ignition model will be important for analyzing high explosive safety and potential accident scenarios. This work introduces a novel ignition model based on the concept of thermally interacting hot spots to simulate low velocity impacted heterogeneous explosives where observed ignition times are on the order of milliseconds. The model asserts that relevant hot spots are micron-sized, the typical separation between neighboring hot spots is on the order of a hundred microns, and that neighbors interact thermally through heat conduction across the interstitial region between them. To achieve tractable numerical solutions, hot spots are assumed to form a periodic array as opposed to the highly irregular positioning in an actual explosive. This idealization allows a single two hotspot system to characterize the ignition process. Consequently, the model is referred to as the two hot spot Frank-Kamenetskii ignition model. In the present study, hot spots are modeled as constant heat sources terms, but this can be extended to include grain-scale phenomena like frictional heating of micron-sized growing cracks that are confined under high pressure. Because the micron-sized features are below the scale that can be efficiently resolved at a systems level, an efficient subscale scheme based on the Method of Weighted Residuals (MWR) is used to efficiently solve the equations. In conclusion, we carry out numerical examples and analytic predictions illustrating the accuracy and the functioning of the model.

97 MATHEMATICS AND COMPUTING↗

Application of the method of lines for solutions of the Navier-Stokes equations using a nonuniform grid distribution

The feasibility of the method of lines for solutions of physical problems requiring nonuniform grid distributions is investigated. To attain this, it is also necessary to investigate the stiffness characteristics of the pertinent equations. For specific applications, the governing equations considered are those for viscous, incompressible, two dimensional and axisymmetric flows. These equations are transformed from the physical domain having a variable mesh to a computational domain with a uniform mesh. The two governing partial differential equations are the vorticity and stream function equations. The method of lines is used to solve the vorticity equation and the successive over relaxation technique is used to solve the stream function equation. The method is applied to three laminar flow problems: the flow in ducts, curved-wall diffusers, and a driven cavity. Results obtained for different flow conditions are in good agreement with available analytical and numerical solutions. The viability and validity of the method of lines are demonstrated by its application to Navier-Stokes equations in the physical domain having a variable mesh.

Abolhassani, J. S.↗

Natively Periodic Fast Multipole Method: Approximating the Optimal Green’s Function

The fast multipole method (FMM) obeys periodic boundary conditions "natively" if it uses a periodic Green's function for computing the multipole expansion in the interaction zone of each FMM oct-tree node. One can define the "optimal" Green's function for such a method that results in the numerical solution that converges to the equivalent particle-mesh (PM) solution in the limit of sufficiently high order of multipoles. A discrete functional equation for the optimal Green's function can be derived, but is not practically useful as methods for its solution are not known. Instead, this paper presents an approximation for the optimal Green's function that is accurate to better than 10 -3 in ${L}_{\mathrm{MAX}}$ norm and 10 -4 in L 2 norm for practically useful multipole counts. Such an approximately optimal Green's function offers a practical way for implementing the FMM with periodic boundary conditions natively, without the need to compute lattice sums or to rely on hybrid FMM-PM approaches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Studies In Planetary Volcanology

Modeling and field studies of the potential for flowing lavas to erode the terrain over which they pass: this study involved numerical solutions for the heat transfer, and analysis of lava flows on Earth where erosion appears to have taken place, coupled with observations of active flows in Hawaii. The conclusion is that some basaltic lava flows are capable of both thermal erosion (melting) and mechanical erosion, depending on the composition and structure of the pre-flow terrain. The case of high-temperature komatiite flows was also considered, especially as a potential analog for some of the flows on the moon of Jupiter, Io. 2. Application of modeling studies and field investigations to extraterrestrial cases: this aspect involved an analysis of lava flows on the Moon, considerations of the 1997 eruption observed via spacecraft (Galileo) on to, and a general review of volcanism on Mars. 3. Considerations of the interaction of lava flows and water: this aspect of the investigation involved a numerical analysis and incorporation of field studies in Iceland where such features occur; the final part of this study was to apply the results to Mars.

Greeley, Ronald↗

A randomized sketching trust-region secant method for low-memory dynamic optimization

The numerical solution of dynamic optimization problems is often limited by the memory required to store the state trajectory, which is used to evaluate the objective function and its derivatives. Recently, [R. Muthukumar et al., SIAM Journal on Optimization 31(2), pp. 1242–1275 (2021)] introduced a trust-region method for dynamic optimization that employs randomized sketching to compress the state trajectory, resulting in inexact derivative computations. By adaptively learning the sketch rank, the trust-region algorithm achieves rigorous convergence guarantees. Here, we extend this approach to use secant Hessian approximations. Due to the randomness introduced by the sketch, the traditional secant update formulae can produce poor Hessian approximations. In particular, the difference of two gradients, computed from two different sketches, may be inconsistent. To overcome this, we employ a sketched approximation of the Hessian application, in lieu of computing the gradient difference. We numerically demonstrate the improved stability of this approach on an example from PDE-constrained optimization.

dynamic optimization↗

Plasma heating and current sheet structure in anti-parallel magnetic reconnection

A theoretical model and an analytic theory of current sheet structure are presented for understanding anti-parallel driven magnetic reconnection in 2-1/2 dimension in collisionless plasmas. The theoretical model provides formulation to compute the current sheet y-profiles by specifying the profiles of electron and ion flow velocities V ex (x,y) and V ix (x,y). The current sheet solutions depend on the plasma density n in , merging magnetic field B 0 , ion velocity v i , and electron velocity ve in the upstream and the S evz =V ez /V dz parameter where V ez is the electron velocity accelerated by the reconnection electric field E z in the electron orbit meandering region, V dz ≃cE y /B x is the $\overrightarrow{E}$ × $\overrightarrow{B}$ drift velocity as electrons enter the orbit meandering region, B x is the merging magnetic field, and E y is the electrostatic electric field. With simplifying assumptions on the y-profiles of V ex and V ix , we have also developed an analytic theory of the current sheet structure. Analytic expressions for the anomalous resistivity, the electrostatic potential drop, and the maximum E y amplitude E max are obtained. The analytic results agree reasonably well with both the particle-in-cell simulation results and the numerical solutions of the theoretical model. The ions energy gain due to the potential drop is $∝B^2_0/n_{in}$. The electron energy gain is $∝(B^2_0 /8πn_{in})S_{evz}$. The $B^2_0/n_{in}$ scaling of the average ion and electron energy gains are consistent with laboratory experiments and space plasma observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Vortex methods for separated flows

The numerical solution of the Euler or Navier-Stokes equations by Lagrangian vortex methods is discussed. The mathematical background is presented in an elementary fashion and includes the relationship with traditional point-vortex studies, the convergence to smooth solutions of the Euler equations, and the essential differences between two- and three-dimensional cases. The difficulties in extending the method to viscous or compressible flows are explained. The overlap with the excellent review articles available is kept to a minimum and more emphasis is placed on the area of expertise, namely two-dimensional flows around bluff bodies. When solid walls are present, complete mathematical models are not available and a more heuristic attitude must be adopted. The imposition of inviscid and viscous boundary conditions without conformal mappings or image vortices and the creation of vorticity along solid walls are examined in detail. Methods for boundary-layer treatment and the question of the Kutta condition are discussed. Practical aspects and tips helpful in creating a method that really works are explained. The topics include the robustness of the method and the assessment of accuracy, vortex-core profiles, timemarching schemes, numerical dissipation, and efficient programming. Calculations of flows past streamlined or bluff bodies are used as examples when appropriate.

Spalart, Philippe R.↗

Capillary Driven Flows Along Differentially Wetted Interior Corners

Closed-form analytic solutions useful for the design of capillary flows in a variety of containers possessing interior corners were recently collected and reviewed. Low-g drop tower and aircraft experiments performed at NASA to date show excellent agreement between theory and experiment for perfectly wetting fluids. The analytical expressions are general in terms of contact angle, but do not account for variations in contact angle between the various surfaces within the system. Such conditions may be desirable for capillary containment or to compute the behavior of capillary corner flows in containers consisting of different materials with widely varying wetting characteristics. A simple coordinate rotation is employed to recast the governing system of equations for flows in containers with interior corners with differing contact angles on the faces of the corner. The result is that a large number of capillary driven corner flows may be predicted with only slightly modified geometric functions dependent on corner angle and the two (or more) contact angles of the system. A numerical solution is employed to verify the new problem formulation. The benchmarked computations support the use of the existing theoretical approach to geometries with variable wettability. Simple experiments to confirm the theoretical findings are recommended. Favorable agreement between such experiments and the present theory may argue well for the extension of the analytic results to predict fluid performance in future large length scale capillary fluid systems for spacecraft as well as for small scale capillary systems on Earth.

Golliher, Eric L.↗

Ameliorating the Courant-Friedrichs-Lewy condition in spherical coordinates: A double FFT filter method for general relativistic MHD in dynamical spacetimes

Numerical simulations of merging compact objects and their remnants form the theoretical foundation for gravitational wave and multimessenger astronomy. While Cartesian-coordinate-based adaptive mesh refinement is commonly used for simulations, spherical-like coordinates are more suitable for nearly spherical remnants and azimuthal flows due to lower numerical dissipation in the evolution of fluid angular momentum, as well as requiring fewer numbers of computational cells. However, the use of spherical coordinates to numerically solve hyperbolic partial differential equations can result in severe Courant-Friedrichs-Lewy (CFL) stability condition time step limitations, which can make simulations prohibitively expensive. This paper addresses this issue for the numerical solution of coupled spacetime and general relativistic magnetohydrodynamics evolutions by introducing a double fast Fourier transform (FFT) filter and implementing it within the fully message passing interface (mpi)-parallelized sphericalnr framework in the einstein toolkit. In conclusion, we demonstrate the effectiveness and robustness of the filtering algorithm by applying it to a number of challenging code tests, and show that it passes these tests effectively, demonstrating convergence while also increasing the time step significantly compared to unfiltered simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

CTF Theory Manual: Version 4.3

Coolant-Boiling in Rod Arrays—Two Fluids (COBRA-TF) is a thermal/hydraulic (T/H) simulation code designed for light water reactor (LWR) vessel analysis. It uses a two-fluid, three-field (i.e., fluid film, fluid drops, and vapor) modeling approach. Both subchannel and three-dimensional Cartesian forms of its governing equations are available for the solution. The code was originally developed by Pacific Northwest Laboratory in 1980, and had been used and modified by several institutions over the last few decades. COBRA-TF also found use at the Pennsylvania State University (PSU) by the Reactor Dynamics and Fuel Modeling Group (RDFMG) and has been improved, updated, and subsequently rebranded as CTF. CTF was later adopted in the early 2010s by Oak Ridge National Laboratory (ORNL) for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, which led to a significant advancement of the code software quality, modeling accuracy, testing systems, and capabilities for improved support of modeling of common LWR nominal and transient behavior. As part of the improvement process, it was necessary to generate sufficient documentation for the public domain code which had lacked such material upon being adopted by RDFMG. This document serves as a theory manual for CTF, detailing the many two-phase heat transfer, drag, and important accident scenario models contained in the code, as well as the numerical solution process utilized. Additional documents available in the CTF documentation suite include the user manual and verification and validation manual.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CTF Theory Manual: Version 4.4

Coolant-Boiling in Rod Arrays – Two Fluids (COBRA-TF) is a thermal/hydraulic (T/H) simulation code designed for light-water reactor (LWR) vessel analysis. It uses a two-fluid, three-field (i.e., fluid film, fluid drops, and vapor) modeling approach. Both subchannel and 3D Cartesian forms of its governing equations are available for the solution. The code was originally developed by Pacific Northwest Laboratory in 1980 and has been used and modified by several institutions over the last few decades. COBRA-TF also found use at the Pennsylvania State University (PSU) by the Reactor Dynamics and Fuel Modeling Group (RDFMG) and has been improved, updated, and subsequently rebranded as CTF. CTF was later adopted in the early 2010s by Oak Ridge National Laboratory (ORNL) for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, which led to a significant advancement of the code’s software quality, modeling accuracy, testing systems, and capabilities for improved support in modeling common LWR nominal and transient behavior. As part of the improvement process, it was necessary to generate sufficient documentation for the public domain code which had lacked such material upon being adopted by RDFMG. This document serves as a theory manual for CTF, detailing the many two-phase heat transfer, drag, and important accident scenario models contained in the code, as well as the numerical solution process utilized. Additional documents available in the CTF documentation suite include the user manual and the verification and validation manual.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Turbulence Modeling Validation, Testing, and Development

The primary objective of this work is to provide accurate numerical solutions for selected flow fields and to compare and evaluate the performance of selected turbulence models with experimental results. Four popular turbulence models have been tested and validated against experimental data often turbulent flows. The models are: (1) the two-equation k-epsilon model of Wilcox, (2) the two-equation k-epsilon model of Launder and Sharma, (3) the two-equation k-omega/k-epsilon SST model of Menter, and (4) the one-equation model of Spalart and Allmaras. The flows investigated are five free shear flows consisting of a mixing layer, a round jet, a plane jet, a plane wake, and a compressible mixing layer; and five boundary layer flows consisting of an incompressible flat plate, a Mach 5 adiabatic flat plate, a separated boundary layer, an axisymmetric shock-wave/boundary layer interaction, and an RAE 2822 transonic airfoil. The experimental data for these flows are well established and have been extensively used in model developments. The results are shown in the following four sections: Part A describes the equations of motion and boundary conditions; Part B describes the model equations, constants, parameters, boundary conditions, and numerical implementation; and Parts C and D describe the experimental data and the performance of the models in the free-shear flows and the boundary layer flows, respectively.

Bardina, J. E.↗

Structural zooming research and development of an interactive computer graphical interface for stress analysis of cracks

Engineering problems sometimes involve the numerical solution of boundary value problems over domains containing geometric feature with widely varying scales. Often, a detailed solution is required at one or more of these features. Small details in large structures may have profound effects upon global performance. Conversely, large-scale conditions may effect local performance. Many man-hours and CPU-hours are currently spent in modeling such problems. With the structural zooming technique, it is now possible to design an integrated program which allows the analyst to interactively focus upon a small region of interest, to modify the local geometry, and then to obtain highly accurate responses in that region which reflect both the properties of the overall structure and the local detail. A boundary integral equation analysis program, called BOAST, was recently developed for the stress analysis of cracks. This program can accurately analyze two-dimensional linear elastic fracture mechanics problems with far less computational effort than existing finite element codes. An interactive computer graphical interface to BOAST was written. The graphical interface would have several requirements: it would be menu-driven, with mouse input; all aspects of input would be entered graphically; the results of a BOAST analysis would be displayed pictorially but also the user would be able to probe interactively to get numerical values of displacement and stress at desired locations within the analysis domain; the entire procedure would be integrated into a single, easy to use package; and it would be written using calls to the graphic package called HOOPS. The program is nearing completion. All of the preprocessing features are working satisfactorily and were debugged. The postprocessing features are under development, and rudimentary postprocessing should be available by the end of the summer. The program was developed and run on a VAX workstation, and must be ported to the SUN workstation. This activity is currently underway.

Gerstle, Walter↗

Optical properties of Mo and amorphous MoOx, and application to antireflection coatings for metals

To form antireflection (AR) coatings to hide metal architecture in display technologies, we deposited thin films of metal Mo and oxide MoOx by sputtering targets of various compositions using pure Ar sputter gas. The optical constants [n,k] of these samples were measured by the direct numerical solution of reflectance and transmittance at each wavelength point measured. We find that 50 nm films are uniform in the growth direction, but for thicker 100 nm samples, evidence exists for nonuniform growth, where the top 20 nm appears to be metal rich. From these [n,k], negative Tauc bandgap energies show these oxides are semi-metals. We then identified the specific composition (x) that optimizes the AR response for a host of metals (Al, Cu, Ag, Au). Finally, two methods were used to understand why these MoOx materials function well as AR media, including (i) using phasor rays and (ii) developing a universal expression for the AR condition that applies to both dielectric and metal substrates. In (i), we find two characteristics for AR of metals: (a) its optical thickness should be roughly π3, not the π2 for dielectrics, since for MoOx, their [r^ij,t^ij] Fresnel phases differ from the usual [180°, 0°] of dielectrics; and (b) the medium incorporates a k-dominant strategy whose function is to absorb the energy that is reflected at the AR/metal interface. In (ii), the universal AR condition is found to be r^01+r^12z^=0. For dielectrics, this reduces to the well-known nAR=nairnsub condition. However, for metals, a concise analytic expression is lacking since this expression is highly nonlinear but is easily solved by numerical methods.

Tsu, David V. (ORCID:0000000295903418)↗

A review of thermo-hydro-mechanical modeling of coupled processes in fractured rock: From continuum to discontinuum perspective

Coupled thermo-hydro-mechanical (THM) processes in fractured rock are playing a crucial role in geoscience and geoengineering applications. Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling. This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions. By comparing various models, one can better assess the uncertainties in predictions, particularly those related to the conceptual models. The review explores how these methodologies have significantly enhanced the fundamental understanding of how fractures respond to fluid injection and production, and improved predictive capabilities pertaining to coupled processes within fractured systems. It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience. The selection and calibration of model parameters should be based on typical ranges and applied to the specific conditions of applications. The challenges arising from inherent heterogeneity and uncertainties, nonlinear THM coupled processes, scale dependence, and computational limitations in representing field scale fractures are discussed. Realizing potential advances on computational capacity calls for methodical conceptualization, mathematical modeling, selection of numerical solution strategies, implementation, and calibration to foster simulation outcomes that intricately reflect the nuanced complexities of geological phenomena. Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical field of study.

Coupling scheme↗

Three-Dimensional High-Order Spectral Finite Volume Method for Unstructured Grids

Many areas require a very high-order accurate numerical solution of conservation laws for complex shapes. This paper deals with the extension to three dimensions of the Spectral Finite Volume (SV) method for unstructured grids, which was developed to solve such problems. We first summarize the limitations of traditional methods such as finite-difference, and finite-volume for both structured and unstructured grids. We then describe the basic formulation of the spectral finite volume method. What distinguishes the SV method from conventional high-order finite-volume methods for unstructured triangular or tetrahedral grids is the data reconstruction. Instead of using a large stencil of neighboring cells to perform a high-order reconstruction, the stencil is constructed by partitioning each grid cell, called a spectral volume (SV), into 'structured' sub-cells, called control volumes (CVs). One can show that if all the SV cells are partitioned into polygonal or polyhedral CV sub-cells in a geometrically similar manner, the reconstructions for all the SVs become universal, irrespective of their shapes, sizes, orientations, or locations. It follows that the reconstruction is reduced to a weighted sum of unknowns involving just a few simple adds and multiplies, and those weights are universal and can be pre-determined once for all. The method is thus very efficient, accurate, and yet geometrically flexible. The most critical part of the SV method is the partitioning of the SV into CVs. In this paper we present the partitioning of a tetrahedral SV into polyhedral CVs with one free parameter for polynomial reconstructions up to degree of precision five. (Note that the order of accuracy of the method is one order higher than the reconstruction degree of precision.) The free parameter will be determined by minimizing the Lebesgue constant of the reconstruction matrix or similar criteria to obtain optimized partitions. The details of an efficient, parallelizable code to solve three-dimensional problems for any order of accuracy are then presented. Important aspects of the data structure are discussed. Comparisons with the Discontinuous Galerkin (DG) method are made. Numerical examples for wave propagation problems are presented.

Liu, Yen↗