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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
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DOE OSTI2014

Multipoint Lax operator algebras: almost-graded structure and central extensions

Recently, Lax operator algebras appeared as a new class of higher genus current-type algebras. Introduced by Krichever and Sheinman, they were based on Krichever's theory of Lax operators on algebraic curves. These algebras are almost-graded Lie algebras of currents on Riemann surfaces with marked points (in-points, out-points and Tyurin points). In a previous joint article with Sheinman, the author classified the local cocycles and associated almost-graded central extensions in the case of one in-point and one out-point. It was shown that the almost-graded extension is essentially unique. In this article the general case of Lax operator algebras corresponding to several in- and out-points is considered. As a first step they are shown to be almost-graded. The grading is given by splitting the marked points which are non-Tyurin points into in- and out-points. Next, classification results both for local and bounded cocycles are proved. The uniqueness theorem for almost-graded central extensions follows. To obtain this generalization additional techniques are needed which are presented in this article. Bibliography: 30 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A Scalable Multigrid Reduction Framework for Multiphase Poromechanics of Heterogeneous Media

Simulation of multiphase poromechanics involves solving a multiphysics problem in which multiphase flow and transport are tightly coupled with the porous medium deformation. To capture this dynamic interplay, fully implicit methods, also known as monolithic approaches, are usually preferred. The main bottleneck of a monolithic approach is that it requires solution of large linear systems that result from the discretization and linearization of the governing balance equations. Because such systems are nonsymmetric, indefinite, and highly ill-conditioned, preconditioning is critical for fast convergence. Recently, most efforts in designing efficient preconditioners for multiphase poromechanics have been dominated by physics-based strategies. Current state-of-the-art “black-box” solvers such as algebraic multigrid (AMG) are ineffective because they cannot effectively capture the strong coupling between the mechanics and the flow subproblems, as well as the coupling inherent in the multiphase flow and transport process. In this work, we develop an algebraic framework based on multigrid reduction (MGR) that is suited for tightly coupled systems of PDEs. Using this framework, the decoupling between the equations is done algebraically through defining appropriate interpolation and restriction operators. One can then employ existing solvers for each of the decoupled blocks or design a new solver based on knowledge of the physics. We demonstrate the applicability of our framework when used as a “black-box” solver for multiphase poromechanics. Here, we show that the framework is flexible to accommodate a wide range of scenarios, as well as efficient and scalable for large problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions]

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switching technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.

02 PETROLEUM↗
DOE OSTI2018

Double Cosets of Stabilizers of Totally Isotropic Subspaces in a Special Unitary Group. I

Let D be a division algebra with a fixed involution, and let V be the corresponding unitary space over D with T -condition (see N. Bourbaki, Algèbre). For a pair of totally isotropic subspaces u, v ≤ V, the double cosets P{sub u}γP{sub v} of their stabilizers P{sub u}, P{sub v} in Γ = SU(V ) are considered. A description of the cosets P{sub u}γP{sub v} in terms of the intersection distance d{sub in}(u, γ(v)) and the Witt index of u + γ(v) is given.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Extended trigonometric Cherednik algebras and nonstationary Schroedinger equations with delta-potentials

We realize an extended version of the trigonometric Cherednik algebra as affine Dunkl operators involving Heaviside functions. We use the quadratic Casimir element of the extended trigonometric Cherednik algebra to define an explicit nonstationary Schroedinger equation with delta-potential. We use coordinate Bethe ansatz methods to construct solutions of the nonstationary Schroedinger equation in terms of generalized Bethe wave functions. It is shown that the generalized Bethe wave functions satisfy affine difference Knizhnik-Zamolodchikov equations as functions of the momenta. The relation to the vector valued root system analogs of the quantum Bose gas on the circle with delta-function interactions is indicated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Topologies on quantum topoi induced by quantization

In the present paper, we consider effects of quantization in a topos approach of quantum theory. A quantum system is assumed to be coded in a quantum topos, by which we mean the topos of presheaves on the context category of commutative subalgebras of a von Neumann algebra of bounded operators on a Hilbert space. A classical system is modeled by a Lie algebra of classical observables. It is shown that a quantization map from the classical observables to self-adjoint operators on the Hilbert space naturally induces geometric morphisms from presheaf topoi related to the classical system to the quantum topos. By means of the geometric morphisms, we give Lawvere-Tierney topologies on the quantum topos (and their equivalent Grothendieck topologies on the context category). We show that, among them, there exists a canonical one which we call a quantization topology. We furthermore give an explicit expression of a sheafification functor associated with the quantization topology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Low-Order Preconditioning for the High-Order Finite Element de Rham Complex

Here, we present a unified framework for constructing spectrally equivalent low-order-refined discretizations for the high-order finite element de Rham complex. This theory covers diffusion problems in H 1 , H(curl), and H(div) and is based on combining a low-order discretization posed on a refined mesh with a high-order basis for Nédélec and Raviart–Thomas elements that makes use of the concept of polynomial histopolation (polynomial fitting using prescribed mean values over certain regions). This spectral equivalence, coupled with algebraic multigrid methods constructed using the low-order discretization, results in highly scalable matrix-free preconditioners for high-order finite element problems in the full de Rham complex. Additionally, a new lowest-order (piecewise constant) preconditioner is developed for high-order interior penalty discontinuous Galerkin (DG) discretizations, for which spectral equivalence results and convergence proofs for algebraic multigrid methods are provided. In all cases, the spectral equivalence results are independent of polynomial degree and mesh size; for DG methods, they are also independent of the penalty parameter. These new solvers are flexible and easy to use; any “black-box” preconditioner for low-order problems can be used to create an effective and efficient preconditioner for the corresponding high-order problem. A number of numerical experiments are presented, based on an implementation in the finite element library MFEM. A range of challenging three-dimensional problems are used to corroborate the theoretical properties and demonstrate the flexibility and scalability of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Multilevel well modeling in aggregation-based nonlinear multigrid for multiphase flow in porous media

A full approximation scheme (FAS) nonlinear multigrid solver for two-phase flow and transport problems driven by wells with multiple perforations is developed here. It is an extension to our previous work on FAS solvers for diffusion and transport problems. The solver is applicable to discrete problems defined on unstructured grids as the coarsening algorithm is aggregation-based and algebraic. To construct coarse basis that can better capture the radial flow near wells, coarse grids in which perforated well cells are not near the coarse-element interface are desired. This is achieved by an aggregation algorithm proposed in this paper that makes use of the location of well cells in the cell-connectivity graph. Numerical examples in which the FAS solver is compared against Newton's method on benchmark problems are given. In particular, for a refined version of the SAIGUP model, the FAS solver is at least 35% faster than Newton's method for time steps with a CFL number greater than 10.

58 GEOSCIENCES↗
DOE OSTI2021

Object-space optimization of tomographic reconstructions for additive manufacturing

Volumetric 3D printing motivated by computed axial lithography enables rapid printing of homogeneous parts but requires a high dimensionality gradient-descent optimization to calculate image sets. Here we introduce a new, simpler approach to image-computation that algebraically optimizes a model of the printed object, significantly improving print accuracy of complex parts under imperfect material and optical precision by improving optical dose contrast between the target and surrounding regions. Quality metrics for volumetric printing are defined and shown to be significantly improved by the new algorithm. The approach is extended beyond binary printing to grayscale control of conversion to enable functionally graded materials. The flexibility of the technique is digitally demonstrated with realistic projector point spread functions, printing around occluding structures, printing with restricted angular range, and incorporation of materials chemistry such as inhibition. Finally, simulations show that the method facilitates new printing modalities such as printing into flat, rather than cylindrical packages to extend the applications of volumetric printing.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Proper central and core polynomials of relatively free associative algebras with identity of Lie nilpotency of degrees 5 and 6

We study the centre of a relatively free associative algebra F{sup (n)} with the identity [x{sub 1},…,x{sub n}]=0 of Lie nilpotency of degree n=5,6 over a field of characteristic 0. It is proved that the core Z{sup ∗}(F{sup (5)}) of the algebra F{sup (5)} (the sum of all ideals of F{sup (5)} contained in its centre) is generated as a T-ideal by the weak Hall polynomial [[x,y]{sup 2},y]. It is also proved that every proper central polynomial of F{sup (5)} is contained in the sum of Z{sup ∗}(F{sup (5)}) and the T-space generated by [[x,y]{sup 2},z] and the commutator [x{sub 1},…,x{sub 4}] of degree 4. This implies that the centre of F{sup (5)} is contained in the T-ideal generated by the commutator of degree 4. Similar results are obtained for F{sup (6)}; in particular, it is proved that the core Z{sup ∗}(F{sup (6)}) is generated as a T-ideal by the commutator of degree 5. Bibliography: 15 titles. (paper)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

On the scalability of the Albany/FELIX first-order Stokes approximation ice sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets

We examine the scalability of the recently developed Albany/FELIX finite-element based code for the first-order Stokes momentum balance equations for ice flow. We focus our analysis on the performance of two possible preconditioners for the iterative solution of the sparse linear systems that arise from the discretization of the governing equations: (1) a preconditioner based on the incomplete LU (ILU) factorization, and (2) a recently-developed algebraic multigrid (AMG) preconditioner, constructed using the idea of semi-coarsening. A strong scalability study on a realistic, high resolution Greenland ice sheet problem reveals that, for a given number of processor cores, the AMG preconditioner results in faster linear solve times but the ILU preconditioner exhibits better scalability. A weak scalability study is performed on a realistic, moderate resolution Antarctic ice sheet problem, a substantial fraction of which contains floating ice shelves, making it fundamentally different from the Greenland ice sheet problem. Here, we show that as the problem size increases, the performance of the ILU preconditioner deteriorates whereas the AMG preconditioner maintains scalability. This is because the linear systems are extremely ill-conditioned in the presence of floating ice shelves, and the ill-conditioning has a greater negative effect on the ILU preconditioner than on the AMG preconditioner.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

On Compatible Transfer Operators in Nonsymmetric Algebraic Multigrid

The standard goal for an effective algebraic multigrid (AMG) algorithm is to develop relaxation and coarse-grid correction schemes that attenuate complementary error modes. In the nonsymmetric setting, coarse-grid correction Π will almost certainly be nonorthogonal (and divergent) in any known standard product, meaning ∥Π∥ > 1. This introduces a new consideration, that one wants coarse-grid correction to be as close to orthogonal as possible, in an appropriate norm. In addition, due to nonorthogonality, Π may actually amplify certain error modes that are in the range of interpolation. Relaxation must then not only be complementary to interpolation, but also rapidly eliminate any error amplified by the nonorthogonal correction, or the algorithm may diverge. Here this paper develops analytic formulae on how to construct “compatible” transfer operators in nonsymmetric AMG such that ∥Π∥ = 1 in some standard matrix-induced norm. Discussion is provided on different options for the norm in the nonsymmetric setting, the relation between “ideal” transfer operators in different norms, and insight into the convergence of nonsymmetric reduction-based AMG.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Algebraic Theory of Crystal Vibrations: Localization Properties of Wave Functions in Two-Dimensional Lattices

The localization properties of the wave functions of vibrations in two-dimensional (2D) crystals are studied numerically for square and hexagonal lattices within the framework of an algebraic model. The wave functions of 2D lattices have remarkable localization properties, especially at the van Hove singularities (vHs). Finite-size sheets with a hexagonal lattice (graphene-like materials), in addition, exhibit at zero energy a localization of the wave functions at zigzag edges, so-called edge states. The striped structure of the wave functions at a vHs is particularly noteworthy. We have investigated its stability and that of the edge states with respect to perturbations in the lattice structure, and the effect of the boundary shape on the localization properties. We find that the stripes disappear instantaneously at the vHs in a square lattice when turning on the perturbation, whereas they broaden but persist at the vHss in a hexagonal lattice. For one of them, they eventually merge into edge states with increasing coupling, which, in contrast to the zero-energy edge states, are localized at armchair edges. The results are corroborated based on participation ratios, obtained under various conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Robust 3D multi-material hydrodynamics using discontinuous Galerkin methods

A high-order discontinuous Galerkin (DG) method is presented for nonequilibrium multi-material (m ≥ 2) flow with sharp interfaces. Material interfaces are reconstructed using the algebraic THINC approach, resulting in a sharp interface resolution. The system assumes stiff velocity relaxation and pressure nonequilibrium. The presented DG method uses Dubiner's orthogonal basis functions on tetrahedral elements. This results in a unique combination of sharp multimaterial interfaces and high-order accurate solutions in smooth single-material regions. A novel shock indicator based on the interface conservation condition is introduced to mark regions with discontinuities. Slope limiting techniques are applied only in these regions so that nonphysical oscillations are eliminated while maintaining high-order accuracy in smooth regions. A local projection is applied on the limited solution to ensure discrete closure law preservation. The effectiveness of this novel limiting strategy is demonstrated for complex three-dimensional multi-material problems, where robustness of the method is critical. The presented numerical problems demonstrate that more accurate and efficient multi-material solutions can be obtained by the DG method, as compared to second-order finite volume methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Comparative Performance Analysis of Coarse Solvers for Algebraic Multigrid on Multicore and Manycore Architectures

In this paper, we study the performance of a two-level algebraic-multigrid algorithm, with a focus on the impact of the coarse-grid solver on performance. We consider two algorithms for solving the coarse-space systems: the preconditioned conjugate gradient method and a new robust HSS-embedded low-rank sparse-factorization algorithm. Our test data comes from the SPE Comparative Solution Project for oil-reservoir simulations. We contrast the performance of our code on one 12-core socket of a Cray XC30 machine with performance on a 60-core Intel Xeon Phi coprocessor. To obtain top performance, we optimized the code to take full advantage of fine-grained parallelism and made it thread-friendly for high thread count. We also developed a bounds-and-bottlenecks performance model of the solver which we used to guide us through the optimization effort, and also carried out performance tuning in the solver’s large parameter space. Finally, as a result, significant speedups were obtained on both machines.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A Nonlinear Algebraic Multigrid Framework for the Power Flow Equations

Multigrid is a highly scalable class of methods most often used for solving large linear systems. In this paper we develop a nonlinear algebraic multigrid framework for the power flow equations, a complex quadratic system of the form ${diag}({v})\overline{Y{v}}={s}$, where $Y$ is approximately a complex scalar rotation of a real graph Laplacian. This is a standard problem that needs to be solved repeatedly during power grid simulations. A key difference between our multigrid framework and typical multigrid approaches is the use of a novel multiplicative coarse-grid correction to enable a dynamic multigrid hierarchy. We also develop a new type of smoother that allows one to coarsen together the different types of nodes that appear in power grid simulations. In developing a specific multigrid method, one must make a number of choices that can significantly affect the method's performance, such as how to construct the restriction and interpolation operators, what smoother to use, and how aggressively to coarsen. In this paper, we make simple but reasonable choices that result in a scalable and robust power flow solver. Experiments demonstrate this scalability and show that it is significantly more robust to poor initial guesses than current state-of-the-art solvers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

BootCMatch: A Software Package for Bootstrap AMG Based on GraphWeighted Matching

This article has two main objectives: one is to describe some extensions of an adaptive Algebraic Multigrid (AMG) method of the form previously proposed by the first and third authors, and a second one is to present a new software framework, named BootCMatch, which implements all the components needed to build and apply the described adaptive AMG both as a stand-alone solver and as a preconditioner in a Krylov method. The adaptive AMG presented is meant to handle general symmetric and positive definite (SPD) sparse linear systems, without assuming any a priori information of the problem and its origin; the goal of adaptivity is to achieve a method with a prescribed convergence rate. The presented method exploits a general coarsening process based on aggregation of unknowns, obtained by a maximum weight matching in the adjacency graph of the system matrix. More specifically, a maximum product matching is employed to define an effective smoother subspace (complementary to the coarse space), a process referred to as compatible relaxation, at every level of the recursive two-level hierarchical AMG process. Results on a large variety of test cases and comparisons with related work demonstrate the reliability and efficiency of the method and of the software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

On Some New Properties of Quaternion Functions

Quaternions discovered by W. R. Hamilton made a great contribution to the progress in noncommutative algebra and vector analysis. However, the analysis of quaternion functions has not been duly developed. The matter is that the notion of a derivative of quaternion functions of a quaternion variable has not been known until recently. The author has succeeded in improving the situation. The present work contains an account of the results obtained by him in this direction. The notion of an ℍ-derivative is introduced for quaternion functions of a quaternion variable. The existence of an ℍ-derivative of elementary functions is established retaining the well-known formulas for the corresponding functions from complex (real) analysis. The rules on the ℍ-differentiation of a sum, a product, and an inverse function are formulated and proved. Necessary and sufficient conditions for the existence of an ℍ-derivative are established. The notions of ℂ{sup 2}-differentiation and ℂ{sup 2}-holomorphy are introduced for quaternion functions of a quaternion variable. Three equivalent conditions are found, each of them being a necessary and sufficient one for ℂ{sup 2}-differentiation. Representations by an integral and a power series are given for ℂ{sup 2}-holomorphic functions. It is proved that the harmonicity of functions f(z), z · f(z), and f(z) · z is the necessary and sufficient condition for a function f to be Fueter-regular.

97 MATHEMATICS AND COMPUTING↗