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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Algorithms for parallel flow solvers on message passing architectures

The purpose of this project has been to identify and test suitable technologies for implementation of fluid flow solvers -- possibly coupled with structures and heat equation solvers -- on MIMD parallel computers. In the course of this investigation much attention has been paid to efficient domain decomposition strategies for ADI-type algorithms. Multi-partitioning derives its efficiency from the assignment of several blocks of grid points to each processor in the parallel computer. A coarse-grain parallelism is obtained, and a near-perfect load balance results. In uni-partitioning every processor receives responsibility for exactly one block of grid points instead of several. This necessitates fine-grain pipelined program execution in order to obtain a reasonable load balance. Although fine-grain parallelism is less desirable on many systems, especially high-latency networks of workstations, uni-partition methods are still in wide use in production codes for flow problems. Consequently, it remains important to achieve good efficiency with this technique that has essentially been superseded by multi-partitioning for parallel ADI-type algorithms. Another reason for the concentration on improving the performance of pipeline methods is their applicability in other types of flow solver kernels with stronger implied data dependence. Analytical expressions can be derived for the size of the dynamic load imbalance incurred in traditional pipelines. From these it can be determined what is the optimal first-processor retardation that leads to the shortest total completion time for the pipeline process. Theoretical predictions of pipeline performance with and without optimization match experimental observations on the iPSC/860 very well. Analysis of pipeline performance also highlights the effect of uncareful grid partitioning in flow solvers that employ pipeline algorithms. If grid blocks at boundaries are not at least as large in the wall-normal direction as those immediately adjacent to them, then the first processor in the pipeline will receive a computational load that is less than that of subsequent processors, magnifying the pipeline slowdown effect. Extra compensation is needed for grid boundary effects, even if all grid blocks are equally sized.

Vanderwijngaart, Rob F.↗
NASA NTRS2006

Zero to Integration in Eight Months, the Dawn Ground Data System Engineering Challenge

The Dawn Project has presented the Ground Data System (GDS) with technical challenges driven by cost and schedule constraints commonly associated with National Aeronautics and Space Administration (NASA) Discovery Projects. The Dawn mission consists of a new and exciting Deep Space partnership among: the Jet Propulsion Laboratory (JPL), manages the project and is responsible for flight operation; Orbital Sciences Corporation (OSC), is the spacecraft builder and is responsible for flight system test and integration; and the University of California, at Los Angeles (UCLA), is responsible for science planning and operations. As a cost-capped mission, one of Dawn's implementation strategies is to leverage from both flight and ground heritage. OSC's ground data system is used for flight system test and integration as part of the flight heritage strategy. Mission operations, however, are to be conducted with JPL's ground system. The system engineering challenge of dealing with two heterogeneous ground systems emerged immediately. During the first technical interchange meeting between the JPL's GDS Team and OSC's Flight Software Team, August 2003, the need to integrate the ground system with the flight software was brought to the table. This need was driven by the project's commitment to enable instrument engineering model integration in a spacecraft simulator environment, for both demonstration and risk mitigation purposes, by April 2004. This paper will describe the system engineering approach that was undertaken by JPL's GDS Team in order to meet the technical challenge within a non-negotiable eight-month schedule. Key to the success was adherence to fundamental systems engineering practices: decomposition of the project request into manageable requirements; integration of multiple ground disciplines and experts into a focused team effort; definition of a structured yet flexible development process; definition of an in-process risk reduction plan; and aggregation of the intermediate products to an integrated final product. In addition, this paper will highlight the role of lessons learned from the integration experience. The lessons learned from an early GDS deployment have served as the foundation for the design and implementation of the Dawn Ground Data System.

Ground Data System (GDS)↗
NASA NTRS1993

Ionospheric Imaging From a Low Earth Orbiter Tracking GPS

Tomographic imaging of the ionosphere is examined using singular value decomposition analysis. The interdependency of the obtainable resolution, the accuracy of the solution and the noise data is explained. A simulation is illustrated where a true 2-D ionospheric structure is generated, and a tomographic inversion of the structure is carried out. Inclusion of data taken in an occultation geometry reveals the strength that is added by these data. The effect of the ionosphere on a GPS signal as viewed by a user in space is examined. Under somewhat strong solar conditions, the absolute bending of the signal is of the order of 0.01 degrees for the L1 signal; the phase advance can be as large as 90 meters.

ionosphere↗
NASA NTRS1995

Flow simulations about steady-complex and unsteady moving configurations using structured-overlapped and unstructured grids

The limiting factor in simulating flows past realistic configurations of interest has been the discretization of the physical domain on which the governing equations of fluid flow may be solved. In an attempt to circumvent this problem, many Computational Fluid Dynamic (CFD) methodologies that are based on different grid generation and domain decomposition techniques have been developed. However, due to the costs involved and expertise required, very few comparative studies between these methods have been performed. In the present work, the two CFD methodologies which show the most promise for treating complex three-dimensional configurations as well as unsteady moving boundary problems are evaluated. These are namely the structured-overlapped and the unstructured grid schemes. Both methods use a cell centered, finite volume, upwind approach. The structured-overlapped algorithm uses an approximately factored, alternating direction implicit scheme to perform the time integration, whereas, the unstructured algorithm uses an explicit Runge-Kutta method. To examine the accuracy, efficiency, and limitations of each scheme, they are applied to the same steady complex multicomponent configurations and unsteady moving boundary problems. The steady complex cases consist of computing the subsonic flow about a two-dimensional high-lift multielement airfoil and the transonic flow about a three-dimensional wing/pylon/finned store assembly. The unsteady moving boundary problems are a forced pitching oscillation of an airfoil in a transonic freestream and a two-dimensional, subsonic airfoil/store separation sequence. Accuracy was accessed through the comparison of computed and experimentally measured pressure coefficient data on several of the wing/pylon/finned store assembly's components and at numerous angles-of-attack for the pitching airfoil. From this study, it was found that both the structured-overlapped and the unstructured grid schemes yielded flow solutions of comparable accuracy for these simulations. This study also indicated that, overall, the structured-overlapped scheme was slightly more CPU efficient than the unstructured approach.

Newman, James C., III↗
DOE OSTI2026

Definitive Assessment of the Accuracy, Variationality, and Convergence of Relativistic Coupled Cluster and Density Matrix Renormalization Group in 100-Orbital Space

Accuracy, variationality, and convergence underpin the reliability of modern electronic structure methods, yet definitive benchmarks in the relativistic regime remain elusive due to the absence of numerically exact full configuration interaction (CI) references. Recent algorithmic advances in the CI framework, enabled by the small-tensor-product (STP) decomposition approach, have dramatically extended the tractable size of the configuration space, making numerically exact CI calculations feasible in large active spaces previously beyond reach. In this paper, we employ the recently developed STP-CI framework to perform large-scale numerically exact CI calculations and directly benchmark relativistic coupled cluster and density matrix renormalization group methods. Definitive benchmarking of approximate relativistic electronic structure methods is ensured through the application of the gap theorem, which provides rigorous error bounds on the CI reference and establishes a controlled standard for assessing accuracy, variationality, and convergence.

Chemical calculations↗
NASA NTRS2004

Anhydrite EOS and Phase Diagram in Relation to Shock Decomposition

In the context of the Chicxulub impact, it became recently obvious that experimental and theoretical research on the shock behavior of sulfates is essential for an assessment of the role of shock-released gases in the K/T mass extinction. The Chicxulub crater is the most important large impact structure where the bolide penetrated a sedimentary layer with large amounts of interbedded anhydrite (Haughton has also significant anhydrite in the target). The sulfuric gas production by shock compression/decompression of anhydrite is an important issue, even if the size of Chicxulub crater is only half of the so far assumed size. The comparison of experimental data for anhydrite, shocked with different techniques at various laboratories, reveals large differences in the threshold pressures for melting and decomposition. To gain insight into this issue, we have made a theoretical investigation of the thermodynamic properties of anhydrite. The project includes the review of data published in the last 40 years - reasons to study anhydrite cover a wide field of interests: from industrial problems of cement and ceramic production to the analysis of nuclear underground explosions in salt domes, conducted in the USA and USSR in the 1970th.

Ivanov, B. A.↗
NASA NTRS1988

Parallel algorithms for mapping pipelined and parallel computations

Many computational problems in image processing, signal processing, and scientific computing are naturally structured for either pipelined or parallel computation. When mapping such problems onto a parallel architecture it is often necessary to aggregate an obvious problem decomposition. Even in this context the general mapping problem is known to be computationally intractable, but recent advances have been made in identifying classes of problems and architectures for which optimal solutions can be found in polynomial time. Among these, the mapping of pipelined or parallel computations onto linear array, shared memory, and host-satellite systems figures prominently. This paper extends that work first by showing how to improve existing serial mapping algorithms. These improvements have significantly lower time and space complexities: in one case a published O(nm sup 3) time algorithm for mapping m modules onto n processors is reduced to an O(nm log m) time complexity, and its space requirements reduced from O(nm sup 2) to O(m). Run time complexity is further reduced with parallel mapping algorithms based on these improvements, which run on the architecture for which they create the mappings.

Nicol, David M.↗
NASA NTRS1989

Direct simulation of compressible turbulence

Several direct simulations of 3-D homogeneous, compressible turbulence are presented with emphasis on the differences with incompressible turbulent simulations. A fully spectral collocation algorithm, periodic in all directions coupled with a 3rd order Runge-Kutta time discretization scheme is sufficient to produce well-resolved flows at Taylor Reynolds numbers below 40 on grids of 128x128x128. A Helmholtz decomposition of velocity is useful to differentiate between the purely compressible effects and those effects solely due to vorticity production. In the context of homogeneous flows, this decomposition in unique. Time-dependent energy and dissipation spectra of the compressible and solenoidal velocity components indicate the presence of localized small scale structures. These structures are strongly a function of the initial conditions. Researchers concentrate on a regime characterized by very small fluctuating Mach numbers Ma (on the order of 0.03) and density and temperature fluctuations much greater than sq Ma. This leads to a state in which more than 70 percent of the kinetic energy is contained in the so-called compressible component of the velocity. Furthermore, these conditions lead to the formation of curved weak shocks (or shocklets) which travel at approximately the sound speed across the physical domain. Various terms in the vorticity and divergence of velocity production equations are plotted versus time to gain some understanding of how small scales are actually formed. Possible links with Burger turbulence are examined. To visualize better the dynamics of the flow, new graphic visualization techniques have been developed. The 3-D structure of the shocks are visualized with the help of volume rendering algorithms developed in-house. A combination of stereographic projection and animation greatly increase the number of visual cues necessary to properly interpret the complex flow.

Zang, T. A.↗
NASA NTRS1998

Second International Workshop on Software Engineering and Code Design in Parallel Meteorological and Oceanographic Applications

This report contains the abstracts and technical papers from the Second International Workshop on Software Engineering and Code Design in Parallel Meteorological and Oceanographic Applications, held June 15-18, 1998, in Scottsdale, Arizona. The purpose of the workshop is to bring together software developers in meteorology and oceanography to discuss software engineering and code design issues for parallel architectures, including Massively Parallel Processors (MPP's), Parallel Vector Processors (PVP's), Symmetric Multi-Processors (SMP's), Distributed Shared Memory (DSM) multi-processors, and clusters. Issues to be discussed include: (1) code architectures for current parallel models, including basic data structures, storage allocation, variable naming conventions, coding rules and styles, i/o and pre/post-processing of data; (2) designing modular code; (3) load balancing and domain decomposition; (4) techniques that exploit parallelism efficiently yet hide the machine-related details from the programmer; (5) tools for making the programmer more productive; and (6) the proliferation of programming models (F--, OpenMP, MPI, and HPF).

OKeefe, Matthew↗
NASA NTRS2015

Noise Characteristics of a Four-Jet Impingement Device Inside a Broadband Engine Noise Simulator

The noise generation mechanisms for four directly impinging supersonic jets are investigated employing implicit large eddy simulations with a higher-order accurate weighted essentially non-oscillatory shock-capturing scheme. Impinging jet devices are often used as an experimental apparatus to emulate a broadband noise source. Although such devices have been used in many experiments, a detailed investigation of the noise generation mechanisms has not been conducted before. Thus, the underlying physical mechanisms that are responsible for the generation of sound waves are not well understood. The flow field is highly complex and contains a wide range of temporal and spatial scales relevant for noise generation. Proper orthogonal decomposition of the flow field is utilized to characterize the unsteady nature of the flow field involving unsteady shock oscillations, large coherent turbulent flow structures, and the sporadic appearance of vortex tubes in the center of the impingement region. The causality method based on Lighthill's acoustic analogy is applied to link fluctuations of flow quantities inside the source region to the acoustic pressure in the far field. It will be demonstrated that the entropy fluctuation term in the Lighthill's stress tensor plays a vital role in the noise generation process. Consequently, the understanding of the noise generation mechanisms is employed to develop a reduced-order linear acoustic model of the four-jet impingement device. Finally, three linear acoustic FJID models are used as broadband noise sources inside an engine nacelle and the acoustic scattering results are validated against far-field acoustic experimental data.

Broadband↗
NASA NTRS1990

A decentralized linear quadratic control design method for flexible structures

A decentralized suboptimal linear quadratic control design procedure which combines substructural synthesis, model reduction, decentralized control design, subcontroller synthesis, and controller reduction is proposed for the design of reduced-order controllers for flexible structures. The procedure starts with a definition of the continuum structure to be controlled. An evaluation model of finite dimension is obtained by the finite element method. Then, the finite element model is decomposed into several substructures by using a natural decomposition called substructuring decomposition. Each substructure, at this point, still has too large a dimension and must be reduced to a size that is Riccati-solvable. Model reduction of each substructure can be performed by using any existing model reduction method, e.g., modal truncation, balanced reduction, Krylov model reduction, or mixed-mode method. Then, based on the reduced substructure model, a subcontroller is designed by an LQ optimal control method for each substructure independently. After all subcontrollers are designed, a controller synthesis method called substructural controller synthesis is employed to synthesize all subcontrollers into a global controller. The assembling scheme used is the same as that employed for the structure matrices. Finally, a controller reduction scheme, called the equivalent impulse response energy controller (EIREC) reduction algorithm, is used to reduce the global controller to a reasonable size for implementation. The EIREC reduced controller preserves the impulse response energy of the full-order controller and has the property of matching low-frequency moments and low-frequency power moments. An advantage of the substructural controller synthesis method is that it relieves the computational burden associated with dimensionality. Besides that, the SCS design scheme is also a highly adaptable controller synthesis method for structures with varying configuration, or varying mass and stiffness properties.

Su, Tzu-Jeng↗
DOE OSTI2024

Deconvolution of dynamic heterogeneity in protein structure

Heterogeneity is intrinsic to the dynamic process of a chemical reaction. As reactants are converted to products via intermediates, the nature and extent of heterogeneity vary temporally throughout the duration of the reaction and spatially across the molecular ensemble. The goal of many biophysical techniques, including crystallography and spectroscopy, is to establish a reaction trajectory that follows an experimentally provoked dynamic process. It is essential to properly analyze and resolve heterogeneity inevitably embedded in experimental datasets. We have developed a deconvolution technique based on singular value decomposition (SVD), which we have rigorously practiced in diverse research projects. In this review, we recapitulate the motivation and challenges in addressing the heterogeneity problem and lay out the mathematical foundation of our methodology that enables isolation of chemically sensible structural signals. We also present a few case studies to demonstrate the concept and outcome of the SVD-based deconvolution. Finally, we highlight a few recent studies with mechanistic insights made possible by heterogeneity deconvolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

PROACTIVE Focus Area 4: Structured Decision Metrics Analysis (Final Report)

A structured decision metrics analysis was developed as one of the tasks under PROACTIVE’s Focus Area 4 (FA4) and used structured decision metrics for processes, items, and facilities (PIF) to determine the efficacy of an M&V system in meeting treaty goals and technical objectives. The method starts with the functional decomposition of a “treaty” with the M&V system overlaid on it. A Functional Decomposition Rubric (FDR) for each PIF is used to determine a score ranging from 0 (weak) to 4 (strong) for assurance, security, and burden. The individual scores are combined to provide an overall Verification System Score (VSS) which assesses the overall verification system’s suitability given goals; scores for each step of the process are also given. The outcome of the evaluation is to identify needs or modifications to the enterprise model, verification system, or proposed testbed capabilities. VeriScore was used to evaluate FA4’s Spiral 0 exercise; those results are included in this report. The VeriScore and FDR framework can also be used in a non-treaty environment, as any goal/objective/method structure will work, thus expanding its applicability beyond traditional arms control structures.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1991

Coupled fluid-structure interaction. Part 1: Theory. Part 2: Application

A general three dimensional variational principle is obtained for the motion of an acoustic field enclosed in a rigid or flexible container by the method of canonical decomposition applied to a modified form of the wave equation in the displacement potential. The general principle is specialized to a mixed two-field principle that contains the fluid displacement potential and pressure as independent fields. Semidiscrete finite element equations of motion based on this principle are derived and sample cases are given.

Felippa, Carlos A.↗
DOE OSTI2025

Temperature-dependent solid electrolyte interphase reactions drive performance in lithium-mediated nitrogen reduction to ammonia

The solid electrolyte interphase (SEI) is a vital component to control mass transport and selectivity in the lithium-mediated reduction of N 2 to NH 3 (Li-N 2 R). Finding strategies that generate the optimal SEI, a complex network of organic and inorganic species, can potentially improve Li-N 2 R performance. Here, we unravel structure-property relationships of the SEI by correlating its composition with the NH 3 faradaic efficiency (FENH3). By modifying the reaction temperature, we alter electrolyte decomposition reactions and observe changes in the SEI that explain FE NH3 trends between electrolyte solvents. We quantify a complex reaction environment at elevated temperatures where SEI formation is counteracted by etching reactions. This tradeoff leads to temporal fluctuations of FE NH3 , but the maximal FE NH3 can reach up to 40%, the highest value reported for batch cells at ambient pressure, thus far. In conclusion, our work underscores the potential of novel electrolytes that steer SEI selectivity and, ultimately, improve Li-N 2 R performance.

electrocatalytic nitrogen reduction↗
DOE OSTI2026

Carbon-nitrogen complex as an alternative to the 𝑇 center in Si

A first-principles study of a carbon-nitrogen (CN) impurity complex in silicon is presented as an isoelectronic alternative to the T center [(CCH) Si ]. The latter has been pursued for applications in quantum information science, yet its sensitivity to the presence of hydrogen is still problematic. Our proposed complex has no hydrogen, thereby eliminating this issue. First, we show that the CN complex is stable against decomposition into substitutional and interstitial defects. Next, we show that due to being isoelectronic to the T center, the CN complex has a similar electronic structure, and therefore could be used in similar applications. We assess several low-energy configurations of the CN complex, finding (CN) Si to be stable and have the largest Debye-Waller factor. We predict a zero-phonon line (ZPL) of 828 meV (in the telecom S-band) and a radiative lifetime of 4.2 μs, comparable to the T center. Due to the presence of a bound exciton, choice of the exchange-correlation functional and also supercell-size scaling of the ZPL and transition dipole moment require special scrutiny; we rigorously justify our extrapolation schemes that allow computing values in the dilute limit.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Active Optics System on the Vera C. Rubin Observatory: Optimal Control of Degeneracy among the Large Number of Degrees of Freedom

Abstract The Vera C. Rubin Observatory is a unique facility for survey astronomy that will soon be commissioned and begin operations. Crucial to many of its scientific goals is the achievement of sustained high image quality, limited only by the seeing at the site. This will be maintained through an active optics system that controls optical element misalignments and corrects mirror figure error to minimize aberrations caused by both thermal and gravitational effects. However, the large number of adjustment degrees of freedom available on the Rubin Observatory introduces a range of degeneracies, including many that are induced by noise due to imperfect measurement of the wave-front errors. We present a structured methodology for identifying these degeneracies through an analysis of image noise level. We also present a novel scaling strategy based on truncated singular value decomposition that mitigates the degeneracy and optimally distributes the adjustment over the available degrees of freedom. Our approach ensures the attainment of optimal image quality, while avoiding excursions around the noise-induced subspace of degeneracies, marking a significant improvement over the previous techniques adopted for Rubin, which were based on an optimal integral controller. This new approach is likely to also yield significant benefits for all telescopes that incorporate large numbers of degrees of freedom of adjustment.

79 ASTRONOMY AND ASTROPHYSICS↗