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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Development of Fast Algorithms Using Recursion, Nesting and Iterations for Computational Electromagnetics

In the first phase of our work, we have concentrated on laying the foundation to develop fast algorithms, including the use of recursive structure like the recursive aggregate interaction matrix algorithm (RAIMA), the nested equivalence principle algorithm (NEPAL), the ray-propagation fast multipole algorithm (RPFMA), and the multi-level fast multipole algorithm (MLFMA). We have also investigated the use of curvilinear patches to build a basic method of moments code where these acceleration techniques can be used later. In the second phase, which is mainly reported on here, we have concentrated on implementing three-dimensional NEPAL on a massively parallel machine, the Connection Machine CM-5, and have been able to obtain some 3D scattering results. In order to understand the parallelization of codes on the Connection Machine, we have also studied the parallelization of 3D finite-difference time-domain (FDTD) code with PML material absorbing boundary condition (ABC). We found that simple algorithms like the FDTD with material ABC can be parallelized very well allowing us to solve within a minute a problem of over a million nodes. In addition, we have studied the use of the fast multipole method and the ray-propagation fast multipole algorithm to expedite matrix-vector multiplication in a conjugate-gradient solution to integral equations of scattering. We find that these methods are faster than LU decomposition for one incident angle, but are slower than LU decomposition when many incident angles are needed as in the monostatic RCS calculations.

Chew, W. C.↗
NASA NTRS1989

Multigrid solution of the Navier-Stokes equations on triangular meshes

A new Navier-Stokes algorithm for use on unstructured triangular meshes is presented. Spatial discretization of the governing equations is achieved using a finite-element Galerkin approximation, which can be shown to be equivalent to a finite-volume approximation for regular equilateral triangular meshes. Integration to steady-state is performed using a multistage time-stepping scheme, and convergence is accelerated by means of implicit residual smoothing and an unstructured multigrid algorithm. The convergence efficiency of the present method is shown to be competitive with those demonstrated by structured quadrilateral-mesh algorithms.

Mavriplis, D. J.↗
DOE OSTI2015

An affinity-structure database of helix-turn-helix: DNA complexes with a universal coordinate system

Molecular interactions between proteins and DNA molecules underlie many cellular processes, including transcriptional regulation, chromosome replication, and nucleosome positioning. Computational analyses of protein-DNA interactions rely on experimental data characterizing known protein-DNA interactions structurally and biochemically. While many databases exist that contain either structural or biochemical data, few integrate these two data sources in a unified fashion. Such integration is becoming increasingly critical with the rapid growth of structural and biochemical data, and the emergence of algorithms that rely on the synthesis of multiple data types to derive computational models of molecular interactions. We have developed an integrated affinity-structure database in which the experimental and quantitative DNA binding affinities of helix-turn-helix proteins are mapped onto the crystal structures of the corresponding protein-DNA complexes. This database provides access to: (i) protein-DNA structures, (ii) quantitative summaries of protein-DNA binding affinities using position weight matrices, and (iii) raw experimental data of protein-DNA binding instances. Critically, this database establishes a correspondence between experimental structural data and quantitative binding affinity data at the single basepair level. Furthermore, we present a novel alignment algorithm that structurally aligns the protein-DNA complexes in the database and creates a unified residue-level coordinate system for comparing the physico-chemical environments at the interface between complexes. Using this unified coordinate system, we compute the statistics of atomic interactions at the protein-DNA interface of helix-turn-helix proteins. We provide an interactive website for visualization, querying, and analyzing this database, and a downloadable version to facilitate programmatic analysis. Lastly, this database will facilitate the analysis of protein-DNA interactions and the development of programmatic computational methods that capitalize on integration of structural and biochemical datasets. The database can be accessed at http://ProteinDNA.hms.harvard.edu.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

An implicit method for the nonlinear modelling and simulation of piezoceramic actuators displaying hysteresis

Experiments have shown that piezoceramic materials display a nonlinear relationship between the applied electric field and the actuation strain. This relationship also displays a substantial hysteresis upon reversal of the applied field. In this paper, piezoceramic actuator models are incorporated into the structural equations of motion to arrive at a set of nonlinear actively controlled structural equations of motion. A new implicit algorithm for determining the time history of the actively controlled structure is presented. The algorithm employs the trapezoidal rule for stepping the equations forward in time. The algorithm is compared to an explicit algorithm and is shown to provide greater numerical accuracy. In addition, the numerical stability and convergence characteristics are presented via example. The new algorithm displays convergence and stability properties that are comparable to the standard trapezoidal rule used for dynamic systems without hysteresis.

Leigh, Timothy D.↗
NASA NTRS1992

A numerical approach to controller design with an application to a space structure test facility

An iterative numerical algorithm that improves feasible closed loop design criteria by updating the parameters of a linear controller is developed. The algorithm allows the use of experimentally derived data collected from the open loop plant. It eliminates the need for an accurate parametric model of the open loop system. Experimental results from the application of a controller designed for a large space structure ground test facility using the algorithm are presented.

Frazier, W. G.↗
NASA NTRS1985

Active Pulse Suppression of Structural Vibrations

Corrective opposing vibrations reduce Earthquake damage. Algorithm for controlling reactions of buildings and other structures to Earthquake initiates counterpulses when incoming shock pulses exceed threshold level. By using "go/no-go" criterion rather than continuously adjusting response to every input excitation no matter how small, control system needs less computation effort than comparable closed-loop systems.

Udwadia, F.↗
NASA NTRS1992

Implementation of input command shaping to reduce vibration in flexible space structures

Viewgraphs on implementation of input command shaping to reduce vibration in flexible space structures are presented. Goals of the research are to explore theory of input command shaping to find an efficient algorithm for flexible space structures; to characterize Middeck Active Control Experiment (MACE) test article; and to implement input shaper on the MACE structure and interpret results. Background on input shaping, simulation results, experimental results, and future work are included.

Chang, Kenneth W.↗
NASA NTRS1993

Q-Markov covariance equivalent realization and its application to flexible structure identification

The Q-Markov covariance equivalent realization algorithm is applied to NASA's Minimast structure to identify state-space models for the purpose of designing closed-loop controllers, and laboratory test results are shown for the identification and for the closed-loop performance. The paper also presents for the first time a deterministic formulation of covariance parameters from a pulse response, a stochastic formulation of Markov parameters from a white-noise response, and a simple Q-Markov covariance equivalent realization formulation. This requires only pulse laboratory tests or only white-noise laboratory tests to generate Q-Markov covariance equivalent realizations.

Liu, Ketao↗
DOE OSTI2024

Structured Neural Network Modeling for Developing Digital Twins Models of Hydropower Generation Units

Dynamic modeling is a key part in the development of digital twin (DT) for dynamic systems. This is true for hydropower systems, where whole system modeling including penstock, turbine and generators, etc is important in realizing actuate modeling for the real systems. On the other hand, in response to the large variations of the power demand due to increased penetration of renewables such as wind and solar, hydropower systems are now required to operate in a large power generation range. This situation triggers the nonlinear characteristics of the generation unit with respect to its models. As such, it is imperative to use data driven modeling such as neural networks to learn the nonlinear dynamics of the hydropower generation unit. To achieve this objective, this study constructs a modeling and learning algorithm integrated with multiple structured neural network models for the modeling of turbine shaft speed, penstock pressure, and generator power output based on the generator power control setpoint, field current, and field voltage. In addition, the study uses the hydropower data from Tacoma Public Utilities to train and validate the proposed neural network algorithm. The results have shown that this structured neural network modeling approach can learn the system dynamics effectively by using the real-time data collected from the hydropower system with the desired modeling results.

Wang, Hong↗
DOE OSTI2022

Protein folds vs. protein folding: Differing questions, different challenges

We report protein fold prediction using deep-learning artificial intelligence (AI) has transformed the field of protein structure prediction. By combining physical and geometric constraints—and especially patterns extracted from the Protein Data Bank —these machine learning algorithms can predict protein structures at or near atomic resolution and do so in seconds. Today, these computational methods have now solved more than 200 million protein structures, which are accessible from the AlphaFold Protein Structure Database. This accomplishment seems all the more remarkable because few thought it possible or saw it coming. Deservedly, deep-learning AI was named Science magazine’s 2021 “breakthrough of the year”. Clearly, deep-learning AI represents a major advance in protein fold prediction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Holographic Spectrum Splitting Demonstration System for Duel Photovoltaic and Biofuel Operation

Spectrum splitting is an optical technique that can increase conversion efficiency or add energy storage capability to a photovoltaic (PV) energy system. In this Sandia National Laboratory Campus Executive project, two distinct types of Diffractive Optical Elements (DOEs) for spectrum splitting were developed, fabricated and measured. The first DOE was an algorithmically-designed freeform surface relief structure. A parametric study of the Broadband Gerchberg-Saxton algorithm was performed to show the effect of design variables on device performance. Two DOE designs were fabricated using a grayscale Maskless Lithography Tool (MLT) and measured. The second DOE was a volume holographic lens. This concept was explored in the context of hybrid PV/biofuel implementation, and was later applied to a multiple-bandgap PV module. A design process was developed to ensure diffraction into a single order across the lens and to enable spectral tuning of diffracted light. A proof-of-concept off-axis holographic lens was fabricated and measured. The report concludes with a summary of spectrum splitting performance and discussion of areas for improvement and future work.

09 BIOMASS FUELS↗
DOE OSTI2018

Genetic Algorithms for Rapid Molecular Materials Screening

This project developed efficient methods for rapid computational screening of conjugated polymers and oligomers with optimal or near-optimal photovoltaic, dielectric, spintronic, and other unique electronic structure properties using genetic algorithms (GA). A key promise of organic materials is that using the incredible tailorability of synthetic organic chemistry enables experimental optimization of performance across multiple relevant properties (e.g., organic photovoltaics, organic lasers). The fundamental challenge is inverse design: how does one find the molecular or polymer structures with desired properties in the face of a near-infinite (e.g., >10 20 - 10 60 ) number of possible molecular structures, combined with time-consuming experiments or electronic structure calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Control/structure interaction design methodology

The Control Structure Interaction Program is a technology development program for spacecraft that exhibit interactions between the control system and structural dynamics. The program objectives include development and verification of new design concepts (such as active structure) and new tools (such as a combined structure and control optimization algorithm) and their verification in ground and possibly flight test. The new CSI design methodology is centered around interdisciplinary engineers using new tools that closely integrate structures and controls. Verification is an important CSI theme and analysts will be closely integrated to the CSI Test Bed laboratory. Components, concepts, tools and algorithms will be developed and tested in the lab and in future Shuttle-based flight experiments. The design methodology is summarized in block diagrams depicting the evolution of a spacecraft design and descriptions of analytical capabilities used in the process. The multiyear JPL CSI implementation plan is described along with the essentials of several new tools. A distributed network of computation servers and workstations was designed that will provide a state-of-the-art development base for the CSI technologies.

Briggs, Hugh C.↗
NASA NTRS1994

Integrated design of structures, controls, and materials

In this talk we shall discuss algorithms and CAD tools for the design and analysis of structures for high performance applications using advanced composite materials. An extensive mathematical theory for optimal structural (e.g., shape) design was developed over the past thirty years. Aspects of this theory have been used in the design of components for hypersonic vehicles and thermal diffusion systems based on homogeneous materials. Enhancement of the design methods to include optimization of the microstructure of the component is a significant innovation which can lead to major enhancements in component performance. Our work is focused on the adaptation of existing theories of optimal structural design (e.g., optimal shape design) to treat the design of structures using advanced composite materials (e.g., fiber reinforced, resin matrix materials). In this talk we shall discuss models and algorithms for the design of simple structures from composite materials, focussing on a problem in thermal management. We shall also discuss methods for the integration of active structural controls into the design process.

Blankenship, G. L.↗
NASA NTRS1988

Parallel algorithm for determining motion vectors in ice floe images by matching edge features

A parallel algorithm is described to determine motion vectors of ice floes using time sequences of images of the Arctic ocean obtained from the Synthetic Aperture Radar (SAR) instrument flown on-board the SEASAT spacecraft. Researchers describe a parallel algorithm which is implemented on the MPP for locating corresponding objects based on their translationally and rotationally invariant features. The algorithm first approximates the edges in the images by polygons or sets of connected straight-line segments. Each such edge structure is then reduced to a seed point. Associated with each seed point are the descriptions (lengths, orientations and sequence numbers) of the lines constituting the corresponding edge structure. A parallel matching algorithm is used to match packed arrays of such descriptions to identify corresponding seed points in the two images. The matching algorithm is designed such that fragmentation and merging of ice floes are taken into account by accepting partial matches. The technique has been demonstrated to work on synthetic test patterns and real image pairs from SEASAT in times ranging from .5 to 0.7 seconds for 128 x 128 images.

Manohar, M.↗
NASA NTRS2011

On-Wafer S-Parameter Measurements in the 325-508-GHz Band

New circuits have been designed and fabricated with operating frequencies over 325 GHz. In order to measure S-parameters of these circuits, an extensive process of wafer dicing and packaging, and waveguide transition design, fabrication, and packaging would be required. This is a costly and time-consuming process before the circuit can be tested in waveguide. The new probes and calibration procedures will simplify the testing process. New on-wafer probes, and a procedure for their calibration, have been developed that allow fast and inexpensive S-parameter characterization of circuits in the 325 -508 -GHz frequency band. The on-wafer probes transition from rectangular waveguide to coplanar waveguide probe tips with 40- m nominal signal-to-ground pin pitch so as to allow for probing circuits on a wafer. The probes with bias tees have been optimized for minimal insertion loss and maximum return loss when placed on 50-ohm structures to allow for calibration. The calibration process has been developed using the Thru-Reflect-Line Agilent algorithm with JPL determined calibration structures and calibration coefficients for the algorithm. This new test capability is presently unique to JPL. With it, researchers will be able to better develop circuits such as low-noise amplifiers, power amplifiers, multipliers, and mixers for heterodyne receivers in the 325-508-GHz frequency band for remote sensing/spectroscopy.

Fung, King Man↗
DOE OSTI2024

Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments

Structural biology experiments benefit significantly from state-of-the-art synchrotron data collection. One can acquire macromolecular crystallography (MX) diffraction data on large-area photon-counting pixel-array detectors at framing rates exceeding 1000 frames per second, using 200 Gbps network connectivity, or higher when available. In extreme cases this represents a raw data throughput of about 25 GB s −1 , which is nearly impossible to deliver at reasonable cost without compression. Our field has used lossless compression for decades to make such data collection manageable. Many MX beamlines are now fitted with DECTRIS Eiger detectors, all of which are delivered with optimized compression algorithms by default, and they perform well with current framing rates and typical diffraction data. However, better lossless compression algorithms have been developed and are now available to the research community. Here one of the latest and most promising lossless compression algorithms is investigated on a variety of diffraction data like those routinely acquired at state-of-the-art MX beamlines.

36 MATERIALS SCIENCE↗