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At least 1,153 records · Page 64

QuYBE - An Algebraic Compiler for Quantum Circuit Compression

QuYBE is an open-source algebraic compiler for the compression of quantum circuits. It has been applied for the efficient simulation of the Heisenberg Hamiltonian on quantum computers. Currently, it can simulate the time dynamics of one-dimensional chains. It includes modules to generate the quantum circuits for the above as well as produce the compressed circuits, which are independent of the time step. It utilizes the Yang-Baxter equation (YBE) to perform the compression. QuYBE enables users to seamlessly design, execute, and analyze the time dynamics of the Heisenberg Hamiltonian on quantum computers. QuYBE is the first step toward making the YBE technique available to a broader community of scientists from multiple domains. The QuYBE compiler is available at https://github.com/ZichangHe/QuYBE.

Gulania, Sahil↗

Domain-decomposition nonlinear manifold reduced order model

This software combines nonlinear-manifold reduced order models (NM-ROMs) with domain decomposition (DD) techniques. NM-ROMs, which utilize a shallow, sparse autoencoder trained with full order model (FOM) snapshot data, approximate the FOM state on a nonlinear manifold. These models offer advantages over linear-subspace ROMs (LS-ROMs) particularly in scenarios with slowly decaying Kolmogorov n-width. However, the training of NM-ROMs involves a number of parameters that scale with the size of the FOM, and storing high-dimensional FOM snapshots can significantly increase the cost of ROM training for extreme-scale problems. To mitigate these costs, the software employs DD to partition the FOM into smaller subdomains, computes NM-ROMs for each, and then integrates these to form a global NM-ROM. This strategy offers multiple benefits: it enables parallel training of subdomain NM-ROMs, reduces the number of parameters needed, decreases the dimensional requirements of subdomain FOM training data, and allows for customization to the unique characteristics of each FOM subdomain. The use of a shallow, sparse autoencoder architecture in each subdomain NM-ROM facilitates the application of hyper-reduction (HR), simplifying the nonlinear complexities and enhancing computational speed. This software marks the inaugural application of NM-ROM combined with HR to a DD problem. It features an algebraic DD reformulation of the FOM, training of NM-ROMs with HR for each subdomain, and employs a sequential quadratic programming (SQP) solver for the evaluation of the coupled global NMROM. The effectiveness of the DD NM-ROM with HR is numerically demonstrated on the 2D steady-state Burgers' equation, showing an order of magnitude improvement in accuracy over the DD LS-ROM with HR.

Diaz, AlejandroN↗

Evaluation of turbulence models for three primary types of shock-separated boundary layers

Zero-equation (algebraic), one-equation (kinetic energy), and two-equation (kinetic energy plus length scale) turbulence eddy viscosity models were used in computing three basic types of shock-separated boundary-layer flows. The three basic types of shock boundary-layer interaction discussed are: (1) a normal shock wave at transonic speeds, (2) a compression corner shock at supersonic speeds, and (3) an incident oblique shock at hypersonic speeds. The models tested are simple, unmodified models used extensively for incompressible, unseparated flows. A comparison of computed and measured results for the compressible, separated flows described herein indicates that model performance is dependent on flow configuration with no distinct superiority of one model over the other for all three flow configurations.

Coakley, T. J.↗

Computation of turbulent near wake for asymmetric airfoils

A numerical procedure for studying the turbulent near wake of two dimensional airfoil sections is presented. The Reynolds Navier-Stokes equations were written for flow about bodies of arbitrary geometry and solved on an arbitrary nonuniform curvilinear computational mesh. Eddy viscosity and Reynolds stress turbulence transport models are considered. Specific examples are shown for airfoil section by using an algebraic viscosity model with streamwise relaxation and the interactive Reynolds stress model.

Deiwert, G. S.↗

Numerical study of hydrogen-air supersonic combustion by using elliptic and parabolized equations

The two-dimensional Navier-Stokes and species continuity equations are used to investigate supersonic chemically reacting flow problems which are related to scramjet-engine configurations. A global two-step finite-rate chemistry model is employed to represent the hydrogen-air combustion in the flow. An algebraic turbulent model is adopted for turbulent flow calculations. The explicit unsplit MacCormack finite-difference algorithm is used to develop a computer program suitable for a vector processing computer. The computer program developed is then used to integrate the system of the governing equations in time until convergence is attained. The chemistry source terms in the species continuity equations are evaluated implicitly to alleviate stiffness associated with fast chemical reactions. The problems solved by the elliptic code are re-investigated by using a set of two-dimensional parabolized Navier-Stokes and species equations. A linearized fully-coupled fully-implicit finite difference algorithm is used to develop a second computer code which solves the governing equations by marching in spce rather than time, resulting in a considerable saving in computer resources. Results obtained by using the parabolized formulation are compared with the results obtained by using the fully-elliptic equations. The comparisons indicate fairly good agreement of the results of the two formulations.

Chitsomboon, T.↗

Calculation of turbulence-driven secondary motion in ducts with arbitrary cross section

Calculation methods for turbulent duct flows are generalized for ducts with arbitrary cross-sections. The irregular physical geometry is transformed into a regular one in computational space, and the flow equations are solved with a finite-volume numerical procedure. The turbulent stresses are calculated with an algebraic stress model derived by simplifying model transport equations for the individual Reynolds stresses. Two variants of such a model are considered. These procedures enable the prediction of both the turbulence-driven secondary flow and the anisotropy of the Reynolds stresses, in contrast to some of the earlier calculation methods. Model predictions are compared to experimental data for developed flow in triangular duct, trapezoidal duct and a rod-bundle geometry. The correct trends are predicted, and the quantitative agreement is mostly fair. The simpler variant of the algebraic stress model procured better agreement with the measured data.

Demuren, A. O.↗

Calculation of turbulence-driven secondary motion in ducts with arbitrary cross-section

Calculation methods for turbulent duct flows are generalized for ducts with arbitrary cross-sections. The irregular physical geometry is transformed into a regular one in computational space, and the flow equations are solved with a finite-volume numerical procedure. The turbulent stresses are calculated with an algebraic stress model derived by simplifying model transport equations for the individual Reynolds stresses. Two variants of such a model are considered. These procedures enable the prediction of both the turbulence-driven secondary flow and the anisotropy of the Reynolds stresses, in contrast to some of the earlier calculation methods. Model predictions are compared to experimental data for developed flow in triangular duct, trapezoidal duct and a rod-bundle geometry. The correct trends are predicted, and the quantitative agreement is mostly fair. The simpler variant of the algebraic stress model procured better agreement with the measured data.

Demuren, A. O.↗

A discrete Fourier transform for virtual memory machines

An algebraic theory of the Discrete Fourier Transform is developed in great detail. Examination of the details of the theory leads to a computationally efficient fast Fourier transform for the use on computers with virtual memory. Such an algorithm is of great use on modern desktop machines. A FORTRAN coded version of the algorithm is given for the case when the sequence of numbers to be transformed is a power of two.

Galant, David C.↗

Real-time dynamics simulation of the Cassini spacecraft using DARTS. Part 1: Functional capabilities and the spatial algebra algorithm

This paper describes the Dynamics Algorithms for Real-Time Simulation (DARTS) real-time hardware-in-the-loop dynamics simulator for the National Aeronautics and Space Administration's Cassini spacecraft. The spacecraft model consists of a central flexible body with a number of articulated rigid-body appendages. The demanding performance requirements from the spacecraft control system require the use of a high fidelity simulator for control system design and testing. The DARTS algorithm provides a new algorithmic and hardware approach to the solution of this hardware-in-the-loop simulation problem. It is based upon the efficient spatial algebra dynamics for flexible multibody systems. A parallel and vectorized version of this algorithm is implemented on a low-cost, multiprocessor computer to meet the simulation timing requirements.

Jain, A.↗

Evaluation of Turbulence-Model Performance in Jet Flows

The importance of reducing jet noise in both commercial and military aircraft applications has made jet acoustics a significant area of research. A technique for jet noise prediction commonly employed in practice is the MGB approach, based on the Lighthill acoustic analogy. This technique requires as aerodynamic input mean flow quantities and turbulence quantities like the kinetic energy and the dissipation. The purpose of the present paper is to assess existing capabilities for predicting these aerodynamic inputs. Two modern Navier-Stokes flow solvers, coupled with several modern turbulence models, are evaluated by comparison with experiment for their ability to predict mean flow properties in a supersonic jet plume. Potential weaknesses are identified for further investigation. Another comparison with similar intent is discussed by Barber et al. The ultimate goal of this research is to develop a reliable flow solver applicable to the low-noise, propulsion-efficient, nozzle exhaust systems being developed in NASA focused programs. These programs address a broad range of complex nozzle geometries operating in high temperature, compressible, flows. Seiner et al. previously discussed the jet configuration examined here. This convergent-divergent nozzle with an exit diameter of 3.6 inches was designed for an exhaust Mach number of 2.0 and a total temperature of 1680 F. The acoustic and aerodynamic data reported by Seiner et al. covered a range of jet total temperatures from 104 F to 2200 F at the fully-expanded nozzle pressure ratio. The aerodynamic data included centerline mean velocity and total temperature profiles. Computations were performed independently with two computational fluid dynamics (CFD) codes, ISAAC and PAB3D. Turbulence models employed include the k-epsilon model, the Gatski-Speziale algebraic-stress model and the Girimaji model, with and without the Sarkar compressibility correction. Centerline values of mean velocity and mean temperature are compared with experimental data.

Woodruff, S. L.↗

Matrix Factorizations at Scale: a Comparison of Scientific Data Analytics in Spark and C+MPI Using Three Case Studies

We explore the trade-offs of performing linear algebra using Apache Spark, compared to traditional C and MPI implementations on HPC platforms. Spark is designed for data analytics on cluster computing platforms with access to local disks and is optimized for data-parallel tasks. We examine three widely-used and important matrix factorizations: NMF (for physical plausibility), PCA (for its ubiquity) and CX (for data interpretability). We apply these methods to 1.6TB particle physics, 2.2TB and 16TB climate modeling and 1.1TB bioimaging data. The data matrices are tall-and-skinny which enable the algorithms to map conveniently into Spark’s data parallel model. We perform scaling experiments on up to 1600 Cray XC40 nodes, describe the sources of slowdowns, and provide tuning guidance to obtain high performance.

Gittens, Alex↗

Soft algebras for leaf amplitudes

Celestial MHV amplitudes are comprised of non-distributional leaf amplitudes associated to an AdS3 leaf of a foliation of flat spacetime. It is shown here that the leaf amplitudes are governed by the same infinite-dimensional soft ‘S-algebra’ as their celestial counterparts. Moreover, taking the soft limit of the smooth three-point MHV leaf amplitude yields a nondegenerate minus-minus two-point leaf amplitude. The two- and three-point MHV leaf amplitudes are used to compute the plus-minus-minus leaf operator product coefficients.

79 ASTRONOMY AND ASTROPHYSICS↗

Algebraic Multigrid by Smoothed Aggregation for Second and Fourth Order Elliptic Problems

Multigrid methods are very efficient iterative solvers for system of algebraic equations arising from finite element and finite difference discretization of elliptic boundary value problems. The main principle of multigrid methods is to complement the local exchange of information in point-wise iterative methods by a global one utilizing several related systems, called coarse levels, with a smaller number of variables. The coarse levels are often obtained as a hierarchy of discretizations with different characteristic meshsizes, but this requires that the discretization is controlled by the iterative method. To solve linear systems produced by existing finite element software, one needs to create an artificial hierarchy of coarse problems. The principal issue is then to obtain computational complexity and approximation properties similar to those for nested meshes, using only information in the matrix of the system and as little extra information as possible. Such algebraic multigrid method that uses the system matrix only was developed by Ruge. The prolongations were based on the matrix of the system by partial solution from given values at selected coarse points. The coarse grid points were selected so that each point would be interpolated to via so-called strong connections. Our approach is based on smoothed aggregation introduced recently by Vanek. First the set of nodes is decomposed into small mutually disjoint subsets. A tentative piecewise constant interpolation (in the discrete sense) is then defined on those subsets as piecewise constant for second order problems, and piecewise linear for fourth order problems. The prolongation operator is then obtained by smoothing the output of the tentative prolongation and coarse level operators are defined variationally.

Vanek, Petr↗

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solving Equations of Multibody Dynamics

Darts++ is a computer program for solving the equations of motion of a multibody system or of a multibody model of a dynamic system. It is intended especially for use in dynamical simulations performed in designing and analyzing, and developing software for the control of, complex mechanical systems. Darts++ is based on the Spatial-Operator- Algebra formulation for multibody dynamics. This software reads a description of a multibody system from a model data file, then constructs and implements an efficient algorithm that solves the dynamical equations of the system. The efficiency and, hence, the computational speed is sufficient to make Darts++ suitable for use in realtime closed-loop simulations. Darts++ features an object-oriented software architecture that enables reconfiguration of system topology at run time; in contrast, in related prior software, system topology is fixed during initialization. Darts++ provides an interface to scripting languages, including Tcl and Python, that enable the user to configure and interact with simulation objects at run time.

Jain, Abhinandan↗

Representations of some quantum tori Lie subalgebras

In this paper, we define the q-analog Virasoro-like Lie subalgebras in x{sub {infinity}}=a{sub {infinity}}(b{sub {infinity}}, c{sub {infinity}}, d{sub {infinity}}). The embedding formulas into x{sub {infinity}} are introduced. Irreducible highest weight representations of A(tilde sign){sub q}, B(tilde sign){sub q}, and C(tilde sign){sub q}-series of the q-analog Virasoro-like Lie algebras in terms of vertex operators are constructed. We also construct the polynomial representations of the A(tilde sign){sub q}, B(tilde sign){sub q}, C(tilde sign){sub q}, and D(tilde sign){sub q}-series of the q-analog Virasoro-like Lie algebras.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗