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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Modification of the Local Cubic Law of fracture flow for weak inertia, tortuosity, and roughness

The classical Local Cubic Law (LCL) generally overestimates flow through real fractures. We thus developed and tested a modified LCL (MLCL) which takes into account local tortuosity and roughness, and works across a low range of local Reynolds Numbers. The MLCL is based on (1) modifying the aperture field by orienting it with the flow direction and (2) correcting for local roughness changes associated with local flow expansion/contraction. In order to test the MLCL, we compared it with direct numerical simulations with the Navier-Stokes equations using real and synthetic three-dimensional rough-walled fractures, previous corrected forms of the LCL, and experimental flow tests. The MLCL performed well and the effective errors (δ) in volumetric flow rate range from -6.7% to 13.4% with an arithmetic mean of |δ| (<|δ|>) equal to 3.7%. The MLCL is more accurate than previous modifications of the LCL. We also investigated the error associated with applying the Cubic Law (CL) while utilizing modified aperture field. The δ from the CL ranges from -14.2% to 11.2%, with a slightly higher <|δ|> = 6.1% than the MLCL. The CL with the modified aperture field considering local tortuosity and roughness may also be sufficient for predicting the hydraulic properties of rough fractures.

58 GEOSCIENCES↗
DOE OSTI2015

Performance analysis of distributed symmetric sparse matrix vector multiplication algorithm for multi-core architectures

In this article, sparse matrix vector multiply (SpMVM) is an important kernel that frequently arises in high performance computing applications. Due to its low arithmetic intensity, several approaches have been proposed in literature to improve its scalability and efficiency in large scale computations. In this paper, our target systems are high end multi-core architectures and we use messaging passing interface + open multiprocessing hybrid programming model for parallelism. We analyze the performance of recently proposed implementation of the distributed symmetric SpMVM, originally developed for large sparse symmetric matrices arising in ab initio nuclear structure calculations. We also study important features of this implementation and compare with previously reported implementations that do not exploit underlying symmetry. Our SpMVM implementations leverage the hybrid paradigm to efficiently overlap expensive communications with computations. Our main comparison criterion is the "CPU core hours" metric, which is the main measure of resource usage on supercomputers. We analyze the effects of topology-aware mapping heuristic using simplified network load model. Furthermore, we have tested the different SpMVM implementations on two large clusters with 3D Torus and Dragonfly topology. Our results show that the distributed SpMVM implementation that exploits matrix symmetry and hides communication yields the best value for the "CPU core hours" metric and significantly reduces data movement overheads.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Sparse matrix‐vector and matrix‐multivector products for the truncated SVD on graphics processors

Summary Many practical algorithms for numerical rank computations implement an iterative procedure that involves repeated multiplications of a vector, or a collection of vectors, with both a sparse matrix and its transpose. Unfortunately, the realization of these sparse products on current high performance libraries often deliver much lower arithmetic throughput when the matrix involved in the product is transposed. In this work, we propose a hybrid sparse matrix layout, named CSRC, that combines the flexibility of some well‐known sparse formats to offer a number of appealing properties: (1) CSRC can be obtained at low cost from the popular CSR (compressed sparse row) format; (2) CSRC has similar storage requirements as CSR; and especially, (3) the implementation of the sparse product kernels delivers high performance for both the direct product and its transposed variant on modern graphics accelerators thanks to a significant reduction of atomic operations compared to a conventional implementation based on CSR. This solution thus renders considerably higher performance when integrated into an iterative algorithm for the truncated singular value decomposition (SVD), such as the randomized SVD or, as demonstrated in the experimental results, the block Golub–Kahan–Lanczos algorithm.

Aliaga, José I.↗
DOE OSTI2020

Matrix-free preconditioning for high-order H (curl) discretizations

The greater arithmetic intensity of high-order finite element discretizations makes them attractive for implementation on next-generation hardware, but assembly of high-order finite element operators as matrices is prohibitively expensive. As a result, the development of general algebraic solvers for such operators has been an open research challenge. Fast matrix-free application of high-order operators has received significant attention in the literature in the context of Poisson-type problems, but preconditioners and solvers for inverting more general operators are not very well-developed. In this paper, we consider the problem of preconditioning a definite Maxwell operator at high polynomial order without assembling a matrix. We show that given efficient preconditioners for high-order H 1 finite element problems on the same mesh, efficient H(curl) preconditioners can be constructed in an auxiliary space framework. We demonstrate the resulting preconditioners in a practical setting with tensor-product basis functions on an unstructured mesh of quadrilaterals. Overall, our approach uses a sparsified H 1 solver constructed on a low-order mesh of the nodal points of the underlying high-order space, and we show that the resulting H(curl) preconditioner is effective at very high polynomial orders for two-dimensional model problems with complicated geometry, varying piecewise constant coefficients, and curved elements. The resulting preconditioner scales with nearly optimal O(p d+1 ) floating point operation count and optimal O(p d ) memory transfer requirements, outperforming existing Maxwell preconditioners in the high-order regime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

High‐order cubature rules for tetrahedra

Summary In this paper, we construct new high‐order numerical integration schemes for tetrahedra, with positive weights and integration points that are in the interior of the domain. The construction of cubature rules is a challenging problem, which requires the solution of strongly nonlinear algebraic (moment) equations with side conditions given by affine inequality constraints. We present a robust algorithm based on a sequence of three modified Newton procedures to solve the constrained minimization problem. In the literature, numerical integration rules for the tetrahedron are available up to order p =15. We obtain integration rules for the tetrahedron from p =2 to p =20, which are computed using multiprecision arithmetic. For p ≤15, our approach provides integration rules that have the same or fewer number of integration points than existing rules; for p =16 to p =20, our rules are new. Numerical tests are presented that verify the polynomial‐precision of the cubature rules. Convergence studies are performed for the integration of exponential, rational, weakly singular and trigonometric test functions over tetrahedra with flat and curved faces. In all tests, improvements in accuracy is realized as p is increased, though in some cases nonmonotonic convergence is observed.

Jaśkowiec, Jan↗
DOE OSTI2016

Bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical example of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.

42 ENGINEERING↗
DOE OSTI2019

Function Maximization with Dynamic Quantum Search

Finding the maximum value of a function in a dynamic model plays an important role in many application settings, including discrete optimization in the presence of hard constraints. We present an iterative quantum algorithm for finding the maximum value of a function in which prior search results update the acceptable response. Our approach is based on quantum search and utilizes a dynamic oracle function to mark items in a specified input set. As a realization of function optimization, we verify the correctness of the algorithm using numerical simulations of quantum circuits for the Knapsack problem. In conclusion, our simulations make use of an explicit oracle function based on arithmetic operations and a comparator subroutine, and we verify these implementations using numerical simulations up to 30 qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Performance Characterization of De Novo Genome Assembly on Leading Parallel Systems.

De novo genome assembly is one of the most important and challenging computational problems in modern genomics; further, it shares algorithms and communication patterns important to other graph analytic and irregular applications. Unlike simulations, it has no floating point arithmetic and is dominated by small memory transactions within and between computing nodes. In this work, we focus on the highly scalable HipMer assembler and identify the dominant algorithms and communication patterns, also using microbenchmarks to capture the workload. We evaluate HipMer on a variety of platforms from the latest HPC systems to ethernet clusters. HipMer performs well on all single node systems, including the Xeon Phi manycore architecture. Given large enough problems, it also demonstrates excellent scaling across nodes in an HPC system, but requires a high speed network with low overhead and high injection rates. Our results shed light on the architectural features that are most important for achieving good parallel efficiency on this and related problems.

Ellis, Marquita↗
DOE OSTI2024

Two-loop master integrals for leading-color $$ pp\to t\overline{t}H $$ amplitudes with a light-quark loop

Abstract We compute the two-loop master integrals for leading-color QCD scattering amplitudes including a closed light-quark loop in$$ t\overline{t}H $$ t t ¯ H production at hadron colliders. Exploiting numerical evaluations in modular arithmetic, we construct a basis of master integrals satisfying a system of differential equations inϵ-factorized form. We present the analytic form of the differential equations in terms of a minimal set of differential one-forms. We explore properties of the function space of analytic solutions to the differential equations in terms of iterative integrals which can be exploited for studying the analytic form of related scattering amplitudes. Finally, we solve the differential equations using generalized series expansions to numerically evaluate the master integrals in physical phase space. As the first computation of a set of two-loop seven-scale master integrals, our results provide valuable input for analytic studies of scattering amplitudes in processes involving massive particles and a large number of kinematic scales.

Physics↗
DOE OSTI2024

Measurement of the effective leptonic weak mixing angle

Using pp collision data at $\sqrt{s}$ = 13 TeV, recorded by the LHCb experiment between 2016 and 2018 and corresponding to an integrated luminosity of 5.4 fb −1 , the forward-backward asymmetry in the pp → Z/γ* → μ + μ − process is measured. The measurement is carried out in ten intervals of the difference between the muon pseudorapidities, within a fiducial region covering dimuon masses between 66 and 116 GeV, muon pseudorapidities between 2.0 and 4.5 and muon transverse momenta above 20 GeV. These forward-backward asymmetries are compared with predictions, at next-to-leading order in the strong and electroweak couplings. The measured effective leptonic weak mixing angle is ${\sin}^2{\theta}_{\textrm{eff}}^{\ell }=0.23147\pm 0.00044\pm 0.00005\pm 0.00023,$ where the first uncertainty is statistical, the second arises from systematic uncertainties associated with the asymmetry measurement, and the third arises from uncertainties in the fit model used to extract ${\sin}^2{\theta}_{\textrm{eff}}^{\ell }$ from the asymmetry measurement. This result is based on an arithmetic average of results using the CT18, MSHT20, and NNPDF31 parameterisations of the proton internal structure, and is consistent with previous measurements and with predictions from the global electroweak fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Computational Errors in the Calculation of Long Radioactive Decay Chains

For safety security of objects utilizing atomic energy, the effect of numerical errors on the calculation of the activity and integrals of the activity in time when using Bateman’s formula and Siewers’ algorithm to calculate radioactive decay chains is investigated. The smallest errors obtain when using Siewers’ algorithm and Bateman’s formula together with long arithmetic. It is shown that the standard calculations of radioactive decay chains according to Bateman’s formula with double precision lead to significant errors. However, these errors have almost no effect on the dose characteristics of mixtures of radionuclides. The analysis is based on data contained in ICRP Publication No. 107.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Application of nonlinear photonic crystal ring resonators in realizing all optical OR/NOT/AND gates

Arithmetic logic unit (ALU) is the core of any digital processing systems. For creating an all optical ALU one needs basic logic gates such as optical NOT, OR and AND gates along with an optical full adder and optical multiplexer. In this paper we aim to design and propose these three basic logic gates using nonlinear photonic crystal ring resonators. The simulations will be done using plane wave expansion and finite difference time domain methods. The proposed structures work based on controlling the optical behavior of the nonlinear resonators using optical power. The simulation results show that the switching threshold for this resonant ring is about 15 mW/μm{sup 2}. Reduced delay times and switching optical power are the main advantages of the proposed structures. Also by adding two resonant rings in input ports we reduced the cross reflection between the input ports.

42 ENGINEERING↗
DOE OSTI2022

Enhancing Surface Finish of Additively Manufactured 316L Stainless Steel with Pulse/Pulse Reverse Electropolishing

To improve the reliable integration of additively manufactured (AM) metal components, there is an urgent need for surface finishing methods capable of processing rough, “as-printed” surfaces. Here, we present a new and scalable electropolishing (EP) technique for use on AM 316L stainless steel (SS) that is capable of achieving a surface roughness equivalent to a machined finish, with arithmetic mean heights (S a ) as low as 1.0 µm. This technique utilizes the sequential application of a new, NaCl/H 2 O pulse/pulse reverse (P/PR) EP step along with a conventional DC (direct current) EP step, where P/PR expands the capability of EP by removing roughness features > 1 µm, which has been previously unattainable with DC EP alone without substantial material removal. This is achieved by independently varying pulse parameters, such as pulse width and height, allowing more control over electrodynamic processes at the part-electrolyte interface. Additionally, P/PR EP resulted in higher smoothing efficiency, where a higher degree of smoothing was achieved with less material removal when compared with conventional DC EP alone. This minimizes unwanted change in geometry from excessive metal dissolution.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A cooperative conjugate gradient method for linear systems permitting efficient multi-thread implementation

This paper revisits, in a multi-thread context, the so-called multi-parameter or block conjugate gradient (B-CG) methods, first proposed as sequential algorithms by O’Leary and Brezinski, for the solution of the linear system Ax=b, for an n-dimensional symmetric positive definite matrix A. Instead of the scalar parameters of the classical CG algorithm, which minimizes a scalar functional at each iteration, multiple descent and conjugate directions are updated simultaneously. Implementation involves the use of multiple threads and the algorithm is referred to as cooperative CG (CCG) to emphasize that each thread now uses information that comes from the other threads. It is shown that for a sufficiently large matrix dimension n, the use of an optimal number of threads results in a worst case flop count of O(n{sup 7/3}) in exact arithmetic. Numerical experiments on a multi-core, multi-thread computer, for synthetic and real matrices, illustrate the theoretical results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A structural equation modeling approach to leveraging the power of extant sentiment analysis tools

Machine-derived sentiment analysis has become a pervasive and useful tool to address a wide array of issues in natural language processing. Leading technology companies such as Google now provide sentiment analysis tools (SATs) as readily accessible online products. Academic researchers develop and make available SATs to support the research enterprise. One of the major challenges with SATs is the inconsistencies in results among the various SATs. Consequently, the selection of a SAT for a specific purpose may significantly impact the application. This study addresses the foregoing problem by utilizing structural equation modeling to merge the outputs of SATs to develop a combined sentiment metric without the need for a labeled training dataset. This method is applicable to a wide range of text-based problems, is data-driven, and replicable. It was tested using three publicly available datasets and compared against seven different SATs. The results indicate that as a continous measure, the proposed method outperformed other SATs in the movie reviews and SemEval datasets, and achieved a tie for first place with IBM Watson on the Sentiment 140 dataset. Also, compared to the published major alternatives, the arithmetic mean solution, this approach performed better across these three datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Parametric model-order reduction for radiation transport using multi-resolution proper orthogonal decomposition

For parametric high-fidelity simulations, it is often desirable to utilize a reduced-order model (ROM) to emulate, at a reduced computational cost, parametric solutions of the governing partial differential equations (PDEs) for unseen parameter values. One commonly employed option is to utilize a data-driven, projection-based ROM supplemented with subspace identification via proper orthogonal decomposition (POD). POD discovers the ROM subspace by computing the singular value decomposition (SVD) of a set of training data from the full-order model (FOM). In streaming-dominated radiation transport simulations with localized sources, solutions often greatly vary over the spatial domain by many orders of magnitude. In such cases, machine-precision arithmetic can be insufficient to obtain an accurate SVD, resulting in a poorly performing ROM. We present a method called multiresolution POD (mrPOD) that mitigates these inaccuracies. The mrPOD method works by decomposing the spatial domain into regions and performing proper orthogonal decomposition on the training dataset separately in each region. In conclusion, mrPOD is tested on single energy group and multigroup atmospheric shielding transport problems and is shown to outperform classic POD.

42 ENGINEERING↗
DOE OSTI2019

Generalized Bose–Hubbard Hamiltonians exhibiting a complete non-Hermitian degeneracy

Highlights: • Hot topic: physics with non-Hermitian Hamiltonians. • Computer algebra used to construct new, next-to-BH models. • Degeneracy verification via variable-precision arithmetics. • Unfolding patterns at N>5 (recent problem solved). - Abstract: The method of construction of the tridiagonal and symmetric complex-matrix Hamiltonians H{sup (N)}(z) exhibiting an exceptional-point (EP) degeneracy of the Nth (i.e., maximal) order at a preselected parameter z=z{sup (EPN)}=1 is proposed and tested. In general, the implementation of the method requires the use of computer-assisted symbolic manipulations, especially at the larger matrix dimensions N. The well known PT−symmetric N-by-N-matrix Bose–Hubbard Hamiltonians as well as their recent N≤5 non-Bose–Hubbard alternatives are obtained as special solutions. Several other N≥6 non-Bose–Hubbard models H{sup (N)}(z) exhibiting the maximal EPN degeneracy are also constructed and analyzed in detail. In particular, their z−dependent, real or complex spectra of energies are displayed and discussed near as well as far from z{sup (EPN)}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A simulation-based efficiency comparison of AC and DC power distribution networks in commercial buildings

Direct current (DC) power distribution has recently gained traction in buildings research due to the proliferation of on-site electricity generation and battery storage, and an increasing prevalence of internal DC loads. The research discussed in this paper uses Modelica-based simulation to compare the efficiency of DC building power distribution with an equivalent alternating current (AC) distribution. The buildings are all modeled with solar generation, battery storage, and loads that are representative of the most efficient building technology. A variety of paramet ric simulations determine how and when DC distribution proves advantageous. These simulations also validate previous studies that use simpler approaches and arithmetic efficiency models. This work shows that using DC distribution can be considerably more efficient: a medium sized office building using DC distribution has an expected baseline of 12% savings, but may also save up to 18%. In these results, the baseline simulation parameters are for a zero net energy (ZNE) building that can island as a microgrid. DC is most advantageous in buildings with large solar capacity, large battery capacity, and high voltage distribution.

24 POWER TRANSMISSION AND DISTRIBUTION↗