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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 451 records · Page 25

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NASA NTRS1976

Computation and sensitivity considerations of the Ricatti equation in spacecraft CMG steering laws

The steady-state matrix Ricatti equation is studied with respect to sensitivity and computational burden for a linear regulator controller in spacecraft. The class of systems studied use control moment gyros (CMGs) as the torque driver, assuming that the CMGs are free of gimbal stops. Different solution techniques are evaluated relative to computation time and accuracy to determine which solution method is most acceptable with respect to the prescribed requirements. It is shown that it is not feasible to eliminate off-diagonal Ricatti equation terms in the relevent updata equation due to their high sensitivity, that Potter's algebraic technique requires the least computation time of the methods studied, and that the simple Euler method yields the best results when accuracy and computation time are equally weighted. If an optimal linear regulator formulation is employed, a full Ricatti equation solution of n(n + 1)2 elements of the symmetric positive definite gain matrix which is the solution to the matrix Ricatti equation must be computed at each update cycle.

Colburn, B. K.↗

NASA NTRS1980

Numerical simulation of three-dimensional boattail afterbody flow fields

The thin shear layer approximations of the three-dimensional, compressible Navier-Stokes equations are solved for subsonic, transonic, and supersonic flow over axisymmetric boattail bodies at moderate angles of attack. The plume is modeled by a solid body configuration identical to those used in experimental tests. An implicit algorithm of second-order accuracy is used to solve the equations on the ILLIAC IV computer. The turbulence is expressed by an algebraic model applicable to three-dimensional flow fields with moderate separation. The computed results compare favorably with three different sets of experimental data reported by Reubush, Shrewsbury, and Benek, respectively

Deiwert, G. S.↗

DOE OSTI2019

Coulomb branch quantization and abelianized monopole bubbling

We develop an approach to the study of Coulomb branch operators in 3D N = 4 gauge theories and the associated quantization structure of their Coulomb branches. This structure is encoded in a one-dimensional TQFT subsector of the full 3D theory, which we describe by combining several techniques and ideas. The answer takes the form of an associative and noncommutative star product algebra on the Coulomb branch. For “good” and “ugly” theories (according to the Gaiotto-Witten classification), we also exhibit a trace map on this algebra, which allows for the computation of correlation functions and, in particular, guarantees that the star product satisfies a truncation condition. This work extends previous work on abelian theories to the non-abelian case by quantifying the monopole bubbling that describes screening of GNO boundary conditions. In our approach, monopole bubbling is determined from the algebraic consistency of the OPE. This also yields a physical proof of the Bullimore-Dimofte-Gaiotto abelianization description of the Coulomb branch.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

Multiphysics Simulations: Challenges and Opportunities

We consider multiphysics applications from algorithmic and architectural perspectives, where ‘‘algorithmic’’ includes both mathematical analysis and computational complexity, and ‘‘architectural’’ includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.

Keyes, David↗

DOE OSTI2013

Multiphysics Simulations: Challenges and Opportunities

We consider multiphysics applications from algorithmic and architectural perspectives, where "algorithmic" includes both mathematical analysis and computational complexity, and "architectural" includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1988

Ada Linear-Algebra Program

Routines provided for common scalar, vector, matrix, and quaternion operations. Computer program extends Ada programming language to include linear-algebra capabilities similar to HAS/S programming language. Designed for such avionics applications as software for Space Station.

Klumpp, A. R.↗

NASA NTRS2014

Experimental Aeroheating Study of Mid-L/D Entry Vehicle Geometries: NASA LaRC 20-Inch Mach 6 Air Tunnel Test 6966

Aeroheating data on mid lift-to-drag ratio entry vehicle configurations has been obtained through hypersonic wind tunnel testing. Vehicles of this class have been proposed for high-mass Mars missions, such as sample return and crewed exploration, for which the conventional sphere-cone entry vehicle geometries of previous Mars missions are insufficient. Several configurations were investigated, including elliptically-blunted cylinders with both circular and elliptical cross sections, biconic geometries based on launch vehicle dual-use shrouds, and parametrically-optimized analytic geometries. Testing was conducted at Mach 6 over a range of Reynolds numbers sufficient to generate laminar, transitional, and turbulent flow. Global aeroheating data were obtained using phosphor thermography. Both stream-wise and cross-flow transition occured on different configurations. Comparisons were made with laminar and turbulent computational predictions generated with an algebraic turbulence model. Predictions were generally in good agreement in regions of laminar or fully-turbulent flow; however for transitional cases, the lack of a transition onset prediction capability produced less accurate comparisons. The data obtained in this study are intended to be used for prelimary mission design studies and the development and validation of computational methods.

Hollis, Brian R.↗

NASA NTRS1977

Theory of motion of Jupiter's Galilean satellites

Final results are presented for a theory enabling one to calculate the positions of the Galilean satellites and their partial derivatives. Extensive use of algebraic manipulation software on a digital computer is made to generate the final expressions. The theory is, in effect, a revitalization of Sampson's (1921) theory. Algebraic and mathematical errors existing in Sampson's work are removed, some neglected effects due to solar interactions and the 3-7 commensurability are introduced, allowance is made for nonzero amplitude and phase of the free libration, and the final results are expressed as analytic functions of variations in 49 arbitrary constants of integration and physical parameters. The theory is constructed in a manner which readily allows for future revision, and analytic expressions are provided for the partial derivatives with respect to the 49 parameters.

Lieske, J. H.↗

DOE OSTI2017

Expeditious modeling of vapor transport and reactions in polymeric materials

We present a methodology for approximating dynamic adsorption of vapor coupled with diffusion in polymeric materials. In previous publications, the dynamic adsorption was represented by ordinary differential equations (ODEs) and solved in concentration and parameter space. To accelerate the calculation, we have developed a statistical approximation method using computationally cheap surrogate models (e.g., algebraic polynomials) that replace the ODE solutions of adsorption and are coupled with the diffusion equations. Since the polynomial presentation of the adsorption term is obtained in a standard format prior to modeling coupled sorption‐diffusion, the adsorption operator can be expressed as input data in the transport code. Compared to conventional operator‐splitting methods, the polynomial approximation of adsorption offers better computational efficiency. The methodology is demonstrated and validated using a dynamic Langmuir adsorption model that is coupled to diffusion and absorption models and applied to a water vapor sorption‐diffusion process in polydimethylsiloxane polymers. © 2017 American Institute of Chemical Engineers AIChE J , 63: 4079–4089, 2017

Sun, Yunwei↗

DOE OSTI2016

Discovering the Whole by the Coarse: A topological paradigm for data analysis

The increasing interest in big data applications is ushering in a large effort in seeking new, efficient, and adapted data models to reduce complexity, while preserving maximal intrinsic information. Graph-based models have recently been getting a lot of attention on account of their intuitive and direct connection to the data. The cost of these models, however, is to some extent giving up geometric insight as well as algebraic flexibility. Topology, as an intermediate analysis medium, focuses on coarse structures of an object/signal in general. It affords a formalism of transitioning from a local to a global description of an object, while providing significant information, which respects the local structure of measurements. It may also support a global visualization (e.g., data variation trends) and enhances the understanding of the underlying phenomenon. Throughout this article, measurements may be considered proximal in various ways, depending on the specific application, and the selected proximity metrics are subsequently used in the construction of a graph structure, thus highlighting various groups of neighboring data. As described later, these groups, often based on proximity criteria, are represented by n-simplices, where n + 1 corresponds to the number of points in an associated group. Collectively, they form what is (and will be throughout) referred to as a simplicial complex, a special representation of a topological space. We find the key advantage of computational topology is its inherently algebraic structure on the basic elements of the resulting graph-like structure.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2017

Color Algebras

A color algebra refers to a system for computing sums and products of colors, analogous to additive and subtractive color mixtures. We would like it to match the well-defined algebra of spectral functions describing lights and surface reflectances, but an exact correspondence is impossible after the spectra have been projected to a three-dimensional color space, because of metamerism physically different spectra can produce the same color sensation. Metameric spectra are interchangeable for the purposes of addition, but not multiplication, so any color algebra is necessarily an approximation to physical reality. Nevertheless, because the majority of naturally-occurring spectra are well-behaved (e.g., continuous and slowly-varying), color algebras can be formulated that are largely accurate and agree well with human intuition. Here we explore the family of algebras that result from associating each color with a member of a three-dimensional manifold of spectra. This association can be used to construct a color product, defined as the color of the spectrum of the wavelength-wise product of the spectra associated with the two input colors. The choice of the spectral manifold determines the behavior of the resulting system, and certain special subspaces allow computational efficiencies. The resulting systems can be used to improve computer graphic rendering techniques, and to model various perceptual phenomena such as color constancy.

color constancy↗

DOE OSTI2019

Accelerating DCA++ (Dynamical Cluster Approximation) Scientific Application on the Summit supercomputer

Optimizing scientific applications on today’s accelerator-based high performance computing systems can be challenging, especially when multiple GPUs and CPUs with heterogeneous memories and persistent non-volatile memories are present. An example is Summit, an accelerator-based system at the Oak Ridge Leadership Computing Facility (OLCF) that is rated as the world’s fastest supercomputer to-date. New strategies are thus needed to expose the parallelism in legacy applications, while being amenable to efficient mapping to the underlying architecture.In this paper we discuss our experiences and strategies to port a scientific application, DCA++, to Summit. DCA++ is a highperformance research application that solves quantum manybody problems with a cutting edge quantum cluster algorithm, the dynamical cluster approximation.Our strategies aim to synergize the strengths of the different programming models in the code. These include: (a) streamlining the interactions between the CPU threads and the GPUs, (b) implementing computing kernels on the GPUs and decreasing CPU-GPU memory transfers, (c) allowing asynchronous GPU communications, and (d) increasing compute intensity by combining linear algebraic operations.Full-scale production runs using all 4600 Summit nodes attained a peak performance of 73.5 PFLOPS with a mixed precision implementation.We observed a perfect strong and weak scaling for the quantum Monte Carlo solver in DCA++, while encountering about 2× input/output (I/O) and MPI communication overhead on the time-to-solution for the full machine run. Our hardware agnostic optimizations are designed to alleviate the communication and I/O challenges observed, while improving the compute intensity and obtaining optimal performance on a complex, hybrid architecture like Summit.

Balduzzi, Giovanni↗

DOE OSTI2020

Xyce Parallel Electronic Simulator Users' Guide (V.7.1)

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: 1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. 2) A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. 3) Device models that are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only). 4) Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase a message passing parallel implementation which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.

42 ENGINEERING↗

DOE OSTI2022

Xyce™ Parallel Electronic Simulator Users' Guide, Version 7.5.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: (1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. (2) A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. (3) Device models that are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only). (4) Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase — a message passing parallel implementation — which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Xyce™ Parallel Electronic Simulator Users' Guide (V.7.6)

This manual describes the use of the Xyce™ Parallel Electronic Simulator. Xyce™ has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: (1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. (2) A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. (3) Device models that are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only). (4) Object-oriented code design and implementation using modern coding practices. Xyce™ is a parallel code in the most general sense of the phrase—a message passing parallel implementation—which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel eficiency is achieved as the number of processors grows.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Xyce™ Parallel Electronic Simulator Users’ Guide, Version 7.8

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: (1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. (2) A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. (3) Device models that are specifically tailored to meet Sandia’s needs, including some radiation-aware devices (for Sandia users only). (4) Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase — a message passing parallel implementation — which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.

42 ENGINEERING↗

DOE OSTI2014

A braided monoidal category for free super-bosons

The chiral conformal field theory of free super-bosons is generated by weight one currents whose mode algebra is the affinisation of an abelian Lie super-algebra h with non-degenerate super-symmetric pairing. The mode algebras of a single free boson and of a single pair of symplectic fermions arise for even|odd dimension 1|0 and 0|2 of h, respectively. In this paper, the representations of the untwisted mode algebra of free super-bosons are equipped with a tensor product, a braiding, and an associator. In the symplectic fermion case, i.e., if h is purely odd, the braided monoidal structure is extended to representations of the Z/2Z-twisted mode algebra. The tensor product is obtained by computing spaces of vertex operators. The braiding and associator are determined by explicit calculations from three- and four-point conformal blocks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems

The solution of eigenproblems is often a key computational bottleneck that limits the tractable system size of numerical algorithms, among them electronic structure theory in chemistry and in condensed matter physics. Large eigenproblems can easily exceed the capacity of a single compute node, thus must be solved on distributed-memory parallel computers. We here present GPU-oriented optimizations of the ELPA two-stage tridiagonalization eigensolver (ELPA2). On top of cuBLAS-based GPU offloading, we add a CUDA kernel to speed up the back-transformation of eigenvectors, which can be the computationally most expensive part of the two-stage tridiagonalization algorithm. Furthermore, we benchmark the performance of this GPU-accelerated eigensolver on two hybrid CPU–GPU architectures, namely a compute cluster based on Intel Xeon Gold CPUs and NVIDIA Volta GPUs, and the Summit supercomputer based on IBM POWER9 CPUs and NVIDIA Volta GPUs. Consistent with previous benchmarks on CPU-only architectures, the GPU-accelerated two-stage solver exhibits a parallel performance superior to the one-stage counterpart. Finally, we demonstrate the performance of the GPU-accelerated eigensolver developed in this work for routine semi-local KS-DFT calculations comprising thousands of atoms.

97 MATHEMATICS AND COMPUTING↗