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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 271 records · Page 15

Grids for DSMC computation of two and three-dimensional flows

Contemporary grid schemes for use in Direct Simulation Monte Carlo (DSMC) method of computing two- and three-dimensional flows are briefly surveyed. The grids described include: (1) simple, constant area cells defined by a rectangular grid; (2) multilevel rectangular grids; (3) adaptive rectangular cells; (4) 'point reference' scheme; (5) body-fitted 'analytical' cells; (6) 'general' schemes; (7) 'general' schemes with subcells; (8) orthogonal transformation to rectangular grid; (9) structural tetrahedral grids; (10) rectangular multilevel subcells with adaptive body-fitted cells.

Bird, G. A.↗

GRID3O: Computer program for fast generation of multilevel, three-dimensional boundary-conforming O-type computational grids

A fast algorithm was developed for accurately generating boundary-conforming, three-dimensional, consecutively refined computational grids applicable to arbitrary wing-body and axial turbomachinery geometries. The method is based on using an analytic function to generate two-dimensional grids on a number of coaxial axisymmetric surfaces positioned between the centerbody and the outer radial boundary. These grids are of the O-type and are characterized by quasi-orthogonality, geometric periodicity, and an adequate resolution throughout the flow field. Because the built-in nonorthogonal coordinate stretching and shearing cause the grid lines leaving the blade or wing trailing edge to end at downstream infinity, the numerical treatment of the three-dimensional trailing vortex sheets is simplified.

Dulikravich, D. S.↗

Finding Chemical Reaction Paths with a Multilevel Preconditioning Protocol

Finding transition paths for chemical reactions can be computationally costly owing to the level of quantum-chemical theory needed for accuracy. Here, we show that a multilevel preconditioning scheme that was recently introduced (Tempkin et al. J. Chem. Phys. 2014, 140, 184114) can be used to accelerate quantum-chemical string calculations. We demonstrate the method by finding minimum-energy paths for two well-characterized reactions: tautomerization of malonaldehyde and Claissen rearrangement of chorismate to prephanate. For these reactions, we show that preconditioning density functional theory (DFT) with a semiempirical method reduces the computational cost for reaching a converged path that is an optimum under DFT by several fold. In conclusion, the approach also shows promise for free energy calculations when thermal noise can be controlled.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal Control for the Quantum Simulation of Nuclear Dynamics

We propose a method for enacting the unitary time propagation of two interacting neutrons at leading order of chiral effective-field theory by efficiently encoding the nuclear dynamics into a single multilevel quantum device. The emulated output of the quantum simulation shows that, by applying a single gate that draws on the underlying characteristics of the device, it is possible to observe multiple cycles of the nuclear dynamics before the onset of decoherence. Owing to the signal's longevity, we can then extract spectroscopic properties of the simulated nuclear system. This allows us to validate the encoding of the nuclear Hamiltonian and the robustness of the simulation in the presence of quantum-hardware noise by comparing the extracted spectroscopic information to exact calculations. This work paves the way for transformative calculations of the dynamical properties of nuclei on near-term quantum devices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Multilevel characteristics and memory mechanisms for nonvolatile memory devices based on CuInS{sub 2} quantum dot-polymethylmethacrylate nanocomposites

Nonvolatile memory devices based on CuInS{sub 2} (CIS) quantum dots (QDs) embedded in a polymethylmethacrylate (PMMA) layer were fabricated using spin-coating method. The memory window widths of the capacitance-voltage (C-V) curves for the Al/CIS QDs embedded in PMMA layer/p-Si devices were 0.3, 0.6, and 1.0 V for sweep voltages of ±3, ±5, and ±7 V, respectively. Capacitance-cycle data demonstrated that the charge-trapping capability of the devices with an ON/OFF ratio value of 2.81 × 10{sup −10} was maintained for 8 × 10{sup 3} cycles without significant degradation and that the extrapolation of the ON/OFF ratio value to 1 × 10{sup 6} cycles converged to 2.40 × 10{sup −10}, indicative of the good stability of the devices. The memory mechanisms for the devices are described on the basis of the C-V curves and the energy-band diagrams.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Instrumentation for gamma-ray astronomy

The current status of gamma-ray-telescope technology for ground, airborne, and space observations is surveyed and illustrated with drawings, diagrams, and graphs and tables of typical data. For the low- and medium-energy ranges, consideration is given to detectors and detector cooling systems, background-rejection methods, radiation damage, large-area detectors, gamma-ray imaging, data analysis, and the Compton-interaction region. Also discussed are the gamma-ray interaction process at high energies; multilevel automated spark-chamber gamma-ray telescopes; the Soviet Gamma-1 telescope; the EGRET instrument for the NASA Gamma-Ray Observatory; and Cerenkov, air-shower, and particle-detector instruments for the TeV and PeV ranges. Significant improvements in resolution and sensitivity are predicted for the near future.

Bertsch, David L.↗

On multilevel block modulation codes

The multilevel (ML) technique for combining block coding and modulation is investigated. A general formulation is presented for ML modulation codes in terms of component codes with appropriate distance measures. A specific method for constructing ML block modulation codes (MLBMCs) with interdependency among component codes is proposed. Given an MLBMC C with no interdependency among the binary component codes, the proposed method gives an MLBC C-prime that has the same rate as C, a minimum squared Euclidean distance not less than that of C, a trellis diagram with the same number of states as that of C, and a smaller number of nearest-neighbor codewords than that of C. Finally, a technique is presented for analyzing the error performance of MLBMCs for an additive white Gaussian noise channel based on soft-decision maximum-likelihood decoding.

Kasami, Tadao↗

High density circuit technology, part 2

A multilevel metal interconnection system for very large scale integration (VLSI) systems utilizing polyimides as the interlayer dielectric material is described. A complete characterization of polyimide materials is given as well as experimental methods accomplished using a double level metal test pattern. A low temperature, double exposure polyimide patterning procedure is also presented.

Wade, T. E.↗

Fast Multigrid Reduction-in-Time for Advection via Modified Semi-Lagrangian Coarse-Grid Operators

Many iterative parallel-in-time algorithms have been shown to be highly efficient for diffusion-dominated partial differential equations (PDEs) but are inefficient or even divergent when applied to advection-dominated PDEs. We consider the application of the multigrid reduction-in-time (MGRIT) algorithm to linear advection PDEs. Here, the key to efficient time integration with this method is using a coarse-grid operator that provides a sufficiently accurate approximation to the so-called ideal coarse-grid operator. For certain classes of semi-Lagrangian discretizations, we present a novel semi-Lagrangian-based coarse-grid operator that leads to fast and scalable multilevel time integration of linear advection PDEs. The coarse-grid operator is composed of a semi-Lagrangian discretization followed by a correction term, with the correction designed so that the leading-order truncation error of the composite operator is approximately equal to that of the ideal coarse-grid operator. Parallel results show substantial speed-ups over sequential time integration for variable-wave-speed advection problems in one and two spatial dimensions, and using high-order discretizations up to order five. The proposed approach establishes the first practical method that provides small and scalable MGRIT iteration counts for advection problems.

97 MATHEMATICS AND COMPUTING↗

High-Efficiency Flexible Multilevel Photon Sieves by Single-Step Laser-Based Fabrication and Optical Analysis

Over the past several decades, the need for high-resolution, high-efficiency, lightweight, high contrast focusing optics has continued to increase due to their applications in fields such as astronomy, spectroscopy, free-space optical communications, defense, and remote sensing. In recent years, photon sieve planar diffractive optics have been developed on flexible, lightweight polyimide substrates. However, transmission efficiencies have continuously been very low (~1-4%), thus impeding the widespread use of photon sieves in practical applications. Here, we present a flexible, lightweight, N = 4 level phase photon sieve with over 25% transmission efficiency; nearly triple that of any other photon sieve reported thus far. In this study, the photon sieve was fabricated via a novel pulsed laser ablation method using an ultraviolet source, and the total time to fabricate a ~3 sq cm sample was tens of seconds. Theoretical analysis of the photon sieve was carried out via the FDTD method, and was in very good agreement with experimental results. We also calculated via FDTD modeling the behavior of higher step (N = 8, 16, 32) photon sieves for further enhanced efficiencies, and show a fundamental limit on photon sieve efficiency of 70% in the limit of increasing step number. This multilevel photon sieve represents a new step in high-resolution diffractive optics, moving towards efficiencies suitable for widespread applications.

Julian, Matthew N.↗

Algebraic multigrid domain and range decomposition (AMG-DD / AMG-RD)*

In modern large-scale supercomputing applications, algebraic multigrid (AMG) is a leading choice for solving matrix equations. However, the high cost of communication relative to that of computation is a concern for the scalability of traditional implementations of AMG on emerging architectures. This paper introduces two new algebraic multilevel algorithms, algebraic multigrid domain decomposition (AMG-DD) and algebraic multigrid range decomposition (AMG-RD), that replace traditional AMG V-cycles with a fully overlapping domain decomposition approach. While the methods introduced here are similar in spirit to the geometric methods developed by Brandt and Diskin [Multigrid solvers on decomposed domains, in Domain Decomposition Methods in Science and Engineering, Contemp. Math. 157, AMS, Providence, RI, 1994, pp. 135--155], Mitchell [Electron. Trans. Numer. Anal., 6 (1997), pp. 224--233], and Bank and Holst [SIAM J. Sci. Comput., 22 (2000), pp. 1411--1443], they differ primarily in that they are purely algebraic: AMG-RD and AMG-DD trade communication for computation by forming global composite “grids” based only on the matrix, not the geometry. (As is the usual AMG convention, “grids” here should be taken only in the algebraic sense, regardless of whether or not it corresponds to any geometry.) Another important distinguishing feature of AMG-RD and AMG-DD is their novel residual communication process that enables effective parallel computation on composite grids, avoiding the all-to-all communication costs of the geometric methods. The main purpose of this paper is to study the potential of these two algebraic methods as possible alternatives to existing AMG approaches for future parallel machines. As a result, this paper develops some theoretical properties of these methods and reports on serial numerical tests of their convergence properties over a spectrum of problem parameters.

97 MATHEMATICS AND COMPUTING↗

White Box Access to Quantum Testbeds for Co-Design

At Lawrence Livermore National Laboratory (LLNL), we operate and maintain the Quantum Device and Integration Testbed (QuDIT) facility, a small quantum testbed that supports about 10 active research teams (including our own) and over 50 internal and external collaborators. This testbed is designed to give remote white box access to users for research, training, and outreach. A guiding principle behind the development of our testbed infrastructure, software and user interfaces is to empower users to perform experiments at the cutting edge of quantum information science at any level of abstraction, from materials studies, device physics and control and characterization techniques to algorithm development and quantum operating system design. Our testbed targets a multilevel quantum system (qudit) to expand the accessible Hilbert space of a simple-to-manufacture quantum device and focuses on quantum simulation, typically implemented through custom gates designed with quantum optimal control methods, rather than on a universal computing framework with a fixed gate set. We leverage the Lab’s high-performance computing (HPC) program and related expertise to simulate quantum systems, develop hybrid algorithms, and generate gates optimized for given simulations. Additionally, we have adopted a co-design philosophy from the HPC community in designing new hardware, so that the systems we develop are optimized for the specific physics simulations we plan to use them for.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimal resolution in maximum entropy image reconstruction from projections with multigrid acceleration

We consider the problem of image reconstruction from a finite number of projections over the space L(sup 1)(Omega), where Omega is a compact subset of the set of Real numbers (exp 2). We prove that, given a discretization of the projection space, the function that generates the correct projection data and maximizes the Boltzmann-Shannon entropy is piecewise constant on a certain discretization of Omega, which we call the 'optimal grid'. It is on this grid that one obtains the maximum resolution given the problem setup. The size of this grid grows very quickly as the number of projections and number of cells per projection grow, indicating fast computational methods are essential to make its use feasible. We use a Fenchel duality formulation of the problem to keep the number of variables small while still using the optimal discretization, and propose a multilevel scheme to improve convergence of a simple cyclic maximization scheme applied to the dual problem.

Limber, Mark A.↗

Newmark local time stepping on high-performance computing architectures

In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strong element-size contrasts (more than 100x). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.

97 MATHEMATICS AND COMPUTING↗

Space construction base control system

Aspects of an attitude control system were studied and developed for a large space base that is structurally flexible and whose mass properties change rather dramatically during its orbital lifetime. Topics of discussion include the following: (1) space base orbital pointing and maneuvering; (2) angular momentum sizing of actuators; (3) momentum desaturation selection and sizing; (4) multilevel control technique applied to configuration one; (5) one-dimensional model simulation; (6) N-body discrete coordinate simulation; (7) structural analysis math model formulation; and (8) discussion of control problems and control methods.

Source record↗

A Mixed Finite Volume Element Method for Flow Calculations in Porous Media

A key ingredient in the simulation of flow in porous media is the accurate determination of the velocities that drive the flow. The large scale irregularities of the geology, such as faults, fractures, and layers suggest the use of irregular grids in the simulation. Work has been done in applying the finite volume element (FVE) methodology as developed by McCormick in conjunction with mixed methods which were developed by Raviart and Thomas. The resulting mixed finite volume element discretization scheme has the potential to generate more accurate solutions than standard approaches. The focus of this paper is on a multilevel algorithm for solving the discrete mixed FVE equations. The algorithm uses a standard cell centered finite difference scheme as the 'coarse' level and the more accurate mixed FVE scheme as the 'fine' level. The algorithm appears to have potential as a fast solver for large size simulations of flow in porous media.

Jim E Jones↗

Analyzing Tropical Waves Using the Parallel Ensemble Empirical Model Decomposition Method: Preliminary Results from Hurricane Sandy

In this study, we discuss the performance of the parallel ensemble empirical mode decomposition (EMD) in the analysis of tropical waves that are associated with tropical cyclone (TC) formation. To efficiently analyze high-resolution, global, multiple-dimensional data sets, we first implement multilevel parallelism into the ensemble EMD (EEMD) and obtain a parallel speedup of 720 using 200 eight-core processors. We then apply the parallel EEMD (PEEMD) to extract the intrinsic mode functions (IMFs) from preselected data sets that represent (1) idealized tropical waves and (2) large-scale environmental flows associated with Hurricane Sandy (2012). Results indicate that the PEEMD is efficient and effective in revealing the major wave characteristics of the data, such as wavelengths and periods, by sifting out the dominant (wave) components. This approach has a potential for hurricane climate study by examining the statistical relationship between tropical waves and TC formation.

PEEMD↗

Open-circuit submodule fault diagnosis in MMCs using support vector machines

Series connection of semiconductor submodules (SM) in a modular multilevel converter (MMC) makes the MMC prone to open-circuit (OC) IGBT failures inside SMs. If left undetected, these faults degrade the operation of the MMC and lead to its instability. This article proposes a method to detect, localise, and classify single OC SM faults in an MMC using support vector machines (SVM) trained with data obtained from the capacitor voltage balancing block of the MMC control system. The proposed method relies on data extracted from the sorted capacitor voltage arrays of the upper and lower phase arms. Therefore, it does not require extra measurements and hardware. Additionally, it offers a fixed time for detecting and localising OC SM faults. This method is easy to implement as SVM has a simple decision function. Time-domain simulation case studies are performed on a three-phase nine-level MMC to evaluate the performance of the proposed method.

42 ENGINEERING↗