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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Inversion of dynamical Bragg intensities to complex structure factors by iterated projections. For Ultramic. 2020. ("Pico" Festschrift, May 2021)

We discuss a method for recovering complex structure factors from many simultaneously excited Bragg beam intensities is described. The method is applied to simulated transmission electron diffraction data over a wide range of crystal thickness and beam energies. The method is based on iterated projections between structure and scattering matrices, which are related by a matrix unitary transformation, exponential, which we invert. The algorithm removes multiple-scattering perturbations from diffraction data and might be extended to other fields, including X-ray and neutron diffraction and cryo-electron microscopy. Because coherent multiple scattering involves interference between Bragg beams, the method also solves the phase problem. Unlike dynamical inversion from electron microscope images or ptychography data, the method, which starts with Bragg beam intensities, provides complex structure factors unaffected by focusing errors or resolution limitations imposed by lenses. We provide inversions from simulated data with 441 simultaneously excited Bragg beams over a range of thickness and beam energy. We discuss the retrieval of chirality information from enantiomorphs, the efficient incorporation of symmetry information using the irreducible representation of the group of structure matrices, and the effect of HOLZ lines to provide three-dimensional information.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

A Diagnosis-Prognosis Feedback Loop for Improved Performance Under Uncertainties

The feed-forward relationship between diagnosis and prognosis is the foundation of both aircraft structural health management and the digital twin concept. Measurements of structural response are obtained either in-situ with mounted sensor networks or offline using more traditional techniques (e.g., nondestructive evaluation). Diagnosis algorithms process this information to detect and quantify damage and then feed this data forward to a prognostic framework. A prognosis of the structure's future operational readiness (e.g., remaining useful life or residual strength) is then made and is used to inform mission- critical decision-making. Years of research have been devoted to improving the elements of this process, but the process itself has not changed significantly. Here, a new approach is proposed in which prognosis information is not only fed forward for decision-making, but it is also fed back to the forthcoming diagnosis. In this way, diagnosis algorithms can take advantage of a priori information about the expected state of health, rather than operating in an uninformed condition. As a feasibility test, a diagnosis-prognosis feedback loop of this manner is demonstrated. The approach is applied to a numerical example in which fatigue crack growth is simulated in a simple aluminum alloy test specimen. A prognosis was derived from a set of diagnoses which provided feedback to a subsequent set of diagnoses. Improvements in accuracy and a reduction in uncertainty in the prognosis- informed diagnoses were observed when compared with an uninformed diagnostic approach.

Leser, Patrick E.↗
DOE OSTI2025

Uncertainty in inventories for life cycle assessment: State‐of‐the‐art, challenges, and new technologies

Uncertainty is a critical factor that can hinder the quality and potential applications of life cycle assessment (LCA) results. A prominent source of uncertainty stems from the life cycle inventory (LCI) data. Various methodologies exist to estimate the uncertainty associated with LCI data, primarily based on the widely used structured pedigree matrix approach or the computationally intensive Monte Carlo simulation. This perspective review explores how new technologies (e.g., computational algorithms and data collection methods) from data science and related fields can contribute to identifying, quantifying, and reducing uncertainty in LCI modeling. A brief overview of the sources of uncertainty in LCI modeling and how they are addressed in current LCA practice is provided. Additionally, several new technologies are identified, and the potential benefits of their implementation in reducing uncertainties in LCI modeling are discussed. This perspective review concludes by identifying potential areas that require further development for these technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics

The ab initio multiple spawning (AIMS) method enables nonadiabatic quantum molecular dynamics simulations in an arbitrary number of dimensions, with potential energy surfaces provided by electronic structure calculations performed on-the-fly. However, the intricacy of the AIMS algorithm complicates software development, deployment on modern shared computer resources, and post-simulation data analysis. PySpawn is a nonadiabatic molecular dynamics software package that addresses these issues. Here, the program is designed to be easily interfaced with electronic structure software, and an interface to the TeraChem software package is described here. PySpawn introduces a task-based reorganization of the AIMS algorithm, allowing fine-grained restart capability and setting the stage for efficient parallelization in a future release. PySpawn includes a user-friendly and interactive Python analysis module that will enable novice users to painlessly adopt AIMS. As a demonstration of PySpawn’s simulation capability and analysis module, we report complete active space self-consistent field–based AIMS simulations of the 1,2- dithienyl-1,2-dicyanoethene molecule, a promising molecular photoswitch.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Mountaintop View Requires Minimal Sorting: A Faster Contour Tree Algorithm

Consider a scalar field f : M → R, where M is a triangulated simplicial mesh in R d . A level set, or contour, at value v is a connected component of f –1 (v). As v is changed, these contours change topology, merge into each other, or split. Contour trees are concise representations of f that track this contour behavior. The vertices of these trees are the critical points of f, where the gradient is zero. The edges represent changes in the topology of contours. It is a fundamental data structure in data analysis and visualization, and there is significant previous work (both theoretical and practical) on algorithms for constructing contour trees. Suppose M has n vertices, N facets, and t critical points. A classic result of Carr, Snoeyink, and Axen (2000) gives an algorithm that takes O(n log n+Nα(N)) time (where α(·) is the inverse Ackermann function). A further improvement to O(t log t + N) time was given by Chiang et al. All these algorithms involve a global sort of the critical points, a significant computational bottleneck. Unfortunately, lower bounds of Ω(t log t) also exist. We present the first algorithm that can avoid the global sort and has a refined time complexity that depends on the contour tree structure. Intuitively, if the tree is short and fat, we get significant improvements in running time. For a partition of the contour tree into a set of descending paths, P, our algorithm runs in O($\Sigma$ pϵP |p| log |p| + tα(t) + N). This is at most O(t log D + N), where D is the diameter of the contour tree. Moreover, it is O(tα(t) + N) for balanced trees, a significant improvement over the previous complexity. Our algorithm requires numerous ideas: partitioning the contour tree into join and split trees, a local growing procedure to iteratively build contour trees, and the use of heavy path decompositions for the time complexity analysis. There is a crucial use of a family of binomial heaps to maintain priorities, ensuring that any comparison made is between comparable nodes of the contour tree. We also prove lower bounds showing that the $\Sigma$ pϵP |p| log |p| complexity is inherent to computing contour trees.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Generalized Symbolic Execution for Model Checking and Testing

Modern software systems, which often are concurrent and manipulate complex data structures must be extremely reliable. We present a novel framework based on symbolic execution, for automated checking of such systems. We provide a two-fold generalization of traditional symbolic execution based approaches: one, we define a program instrumentation, which enables standard model checkers to perform symbolic execution; two, we give a novel symbolic execution algorithm that handles dynamically allocated structures (e.g., lists and trees), method preconditions (e.g., acyclicity of lists), data (e.g., integers and strings) and concurrency. The program instrumentation enables a model checker to automatically explore program heap configurations (using a systematic treatment of aliasing) and manipulate logical formulae on program data values (using a decision procedure). We illustrate two applications of our framework: checking correctness of multi-threaded programs that take inputs from unbounded domains with complex structure and generation of non-isomorphic test inputs that satisfy a testing criterion. Our implementation for Java uses the Java PathFinder model checker.

Khurshid, Sarfraz↗
NASA NTRS1993

Adaptive-mesh algorithms for computational fluid dynamics

The basic goal of adaptive-mesh algorithms is to distribute computational resources wisely by increasing the resolution of 'important' regions of the flow and decreasing the resolution of regions that are less important. While this goal is one that is worthwhile, implementing schemes that have this degree of sophistication remains more of an art than a science. In this paper, the basic pieces of adaptive-mesh algorithms are described and some of the possible ways to implement them are discussed and compared. These basic pieces are the data structure to be used, the generation of an initial mesh, the criterion to be used to adapt the mesh to the solution, and the flow-solver algorithm on the resulting mesh. Each of these is discussed, with particular emphasis on methods suitable for the computation of compressible flows.

Powell, Kenneth G.↗
DOE OSTI2022

Power System Waveform Classification Using Time-Frequency and CNN

Many modern reclosers and circuit breakers have microprocessor relays that record waveforms of system events. In some cases, utilities may record a half-a-dozen event captures for every event. This is thousands of events per year. The industry needs faster, more automated, more conclusive, and easy-to-use systems that can process massive amounts of event recordings without extensive input/support from power system engineers. To address the need for a commercially viable solution that can classify waveform data, energies were directed to develop a universal neural network (NN) structure (deep learning algorithm) that works for a wide variety of system event types. The structure that showed the most promise was one that included the use of spectrograms. The technique has shown positive results in audio engineering, particularly with respect to speech recognition. A waveform signature could be treated as a spoken word like audio waveforms for specific things such as “YES” or “UP”. No two people produce the exact same waveform when speaking each of these words, but audio processing algorithms based on spectrograms and convolutional neural networks (CNN) can still distinguish the word regardless of the speaker. No two circuits produce the exact same waveform for a given event, but the NN can be trained to classify the event type regardless of the circuit or location on the circuit. A Power System Neural Network (PSNN) has been developed to use a CNN to classify events within waveform data for power systems. The waveform is converted to an array of values by way of spectrograms and interpreted as an image. This image is passed into the CNN. The test results on independent simulated test and validation datasets show greater than 99% accuracy. While the results thus far are based on simulated data, the performance of the PSNN is very promising and should work for a wide variety of power system conditions of interest. Ultimately, much of the custom code and tools used today and much of the manual effort expended today may be automated using this PSNN.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2010

The Monotonic Lagrangian Grid for Rapid Air-Traffic Evaluation

The Air Traffic Monotonic Lagrangian Grid (ATMLG) is presented as a tool to evaluate new air traffic system concepts. The model, based on an algorithm called the Monotonic Lagrangian Grid (MLG), can quickly sort, track, and update positions of many aircraft, both on the ground (at airports) and in the air. The underlying data structure is based on the MLG, which is used for sorting and ordering positions and other data needed to describe N moving bodies and their interactions. Aircraft that are close to each other in physical space are always near neighbors in the MLG data arrays, resulting in a fast nearest-neighbor interaction algorithm that scales as N. Recent upgrades to ATMLG include adding blank place-holders within the MLG data structure, which makes it possible to dynamically change the MLG size and also improves the quality of the MLG grid. Additional upgrades include adding FAA flight plan data, such as way-points and arrival and departure times from the Enhanced Traffic Management System (ETMS), and combining the MLG with the state-of-the-art strategic and tactical conflict detection and resolution algorithms from the NASA-developed Stratway software. In this paper, we present results from our early efforts to couple ATMLG with the Stratway software, and we demonstrate that it can be used to quickly simulate air traffic flow for a very large ETMS dataset.

Kaplan, Carolyn↗
NASA NTRS2001

Prediction of Unsteady Aerodynamic Coefficients at High Angles of Attack

The nonlinear indicial response method is used to model the unsteady aerodynamic coefficients in the low speed longitudinal oscillatory wind tunnel test data of the 0.1 scale model of the F-16XL aircraft. Exponential functions are used to approximate the deficiency function in the indicial response. Using one set of oscillatory wind tunnel data and parameter identification method, the unknown parameters in the exponential functions are estimated. The genetic algorithm is used as a least square minimizing algorithm. The assumed model structures and parameter estimates are validated by comparing the predictions with other sets of available oscillatory wind tunnel test data.

Pamadi, Bandu N.↗
NASA NTRS1985

An Eigensystem Realization Algorithm (ERA) for modal parameter identification and model reduction

A method, called the Eigensystem Realization Algorithm (ERA), is developed for modal parameter identification and model reduction of dynamic systems from test data. A new approach is introduced in conjunction with the singular value decomposition technique to derive the basic formulation of minimum order realization which is an extended version of the Ho-Kalman algorithm. The basic formulation is then transformed into modal space for modal parameter identification. Two accuracy indicators are developed to quantitatively identify the system modes and noise modes. For illustration of the algorithm, examples are shown using simulation data and experimental data for a rectangular grid structure.

Juang, J. N.↗
NASA NTRS1991

A 3-D upwind Euler solver for unstructured meshes

A three-dimensional finite-volume upwind Euler solver is developed for unstructured meshes. The finite-volume scheme solves for solution variables at vertices of the mesh and satisfies the integral conservation law on nonoverlapping polyhedral control volumes surrounding vertices of the mesh. The schene achieves improved solution accuracy by assuming a piecewise linear variation of the solution in each control volume. This improved spatial accuracy hinges heavily upon the calculation of the solution gradient in each control volume given pointwise values of the solution at vertices of the mesh. Several algorithms are discussed for obtaining these gradients. Details concerning implementation procedures and data structures are discussed. Sample calculations for inviscid Euler flow about isolated aircraft wings at subsonic and transonic speeds are compared with established Euler solvers as well as experiment.

Barth, Timothy J.↗
NASA NTRS1995

A unified multigrid solver for the Navier-Stokes equations on mixed element meshes

A unified multigrid solution technique is presented for solving the Euler and Reynolds-averaged Navier-Stokes equations on unstructured meshes using mixed elements consisting of triangles and quadrilaterals in two dimensions, and of hexahedra, pyramids, prisms, and tetrahedra in three dimensions. While the use of mixed elements is by no means a novel idea, the contribution of the paper lies in the formulation of a complete solution technique which can handle structured grids, block structured grids, and unstructured grids of tetrahedra or mixed elements without any modification. This is achieved by discretizing the full Navier-Stokes equations on tetrahedral elements, and the thin layer version of these equations on other types of elements, while using a single edge-based data-structure to construct the discretization over all element types. An agglomeration multigrid algorithm, which naturally handles meshes of any types of elements, is employed to accelerate convergence. An automatic algorithm which reduces the complexity of a given triangular or tetrahedral mesh by merging candidate triangular or tetrahedral elements into quadrilateral or prismatic elements is also described. The gains in computational efficiency afforded by the use of non-simplicial meshes over fully tetrahedral meshes are demonstrated through several examples.

Mavriplis, D. J.↗
NASA NTRS2003

Research in Computational Astrobiology

We report on several projects in the field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. Research projects included modifying existing computer simulation codes to use efficient, multiple time step algorithms, statistical methods for analysis of astrophysical data via optimal partitioning methods, electronic structure calculations on water-nuclei acid complexes, incorporation of structural information into genomic sequence analysis methods and calculations of shock-induced formation of polycylic aromatic hydrocarbon compounds.

Chaban, Galina↗
NASA NTRS2002

Multi-Image Registration for an Enhanced Vision System

An Enhanced Vision System (EVS) utilizing multi-sensor image fusion is currently under development at the NASA Langley Research Center. The EVS will provide enhanced images of the flight environment to assist pilots in poor visibility conditions. Multi-spectral images obtained from a short wave infrared (SWIR), a long wave infrared (LWIR), and a color visible band CCD camera, are enhanced and fused using the Retinex algorithm. The images from the different sensors do not have a uniform data structure: the three sensors not only operate at different wavelengths, but they also have different spatial resolutions, optical fields of view (FOV), and bore-sighting inaccuracies. Thus, in order to perform image fusion, the images must first be co-registered. Image registration is the task of aligning images taken at different times, from different sensors, or from different viewpoints, so that all corresponding points in the images match. In this paper, we present two methods for registering multiple multi-spectral images. The first method performs registration using sensor specifications to match the FOVs and resolutions directly through image resampling. In the second method, registration is obtained through geometric correction based on a spatial transformation defined by user selected control points and regression analysis.

Hines, Glenn↗
NASA NTRS2004

Structural Health Management for Future Aerospace Vehicles

Structural Health Management (SHM) will be of critical importance to provide the safety, reliability and affordability necessary for the future long duration space missions described in America's Vision for Space Exploration. Long duration missions to the Moon, Mars and beyond cannot be accomplished with the current paradigm of periodic, ground based structural integrity inspections. As evidenced by the Columbia tragedy, this approach is also inadequate for the current Shuttle fleet, thus leading to its initial implementation of on-board SHM sensing for impact detection as part of the return to flight effort. However, future space systems, to include both vehicles as well as structures such as habitation modules, will require an integrated array of onboard in-situ sensing systems. In addition, advanced data systems architectures will be necessary to communicate, store and process massive amounts of SHM data from large numbers of diverse sensors. Further, improved structural analysis and design algorithms will be necessary to incorporate SHM sensing into the design and construction of aerospace structures, as well as to fully utilize these sensing systems to provide both diagnosis and prognosis of structural integrity. Ultimately, structural integrity information will feed into an Integrated Vehicle Health Management (IVHM) system that will provide real-time knowledge of structural, propulsion, thermal protection and other critical systems for optimal vehicle management and mission control. This paper will provide an overview of NASA research and development in the area of SHM as well as to highlight areas of technology improvement necessary to meet these future mission requirements.

Prosser, W. H.↗
NASA NTRS1982

Infrared remote sensing of the vertical and horizontal distribution of clouds

An algorithm has been developed to derive the horizontal and vertical distribution of clouds from the same set of infrared radiance data used to retrieve atmospheric temperature profiles. The method leads to the determination of the vertical atmospheric temperature structure and the cloud distribution simultaneously, providing information on heat sources and sinks, storage rates and transport phenomena in the atmosphere. Experimental verification of this algorithm was obtained using the 15-micron data measured by the NOAA-VTPR temperature sounder. After correcting for water vapor emission, the results show that the cloud cover derived from 15-micron data is less than that obtained from visible data.

Chahine, M. T.↗
NASA NTRS1988

An adaptive identification and control scheme for large space structures

A unified identification and control scheme capable of achieving space at form performance objectives under nominal or failure conditions is described. Preliminary results are also presented, showing that the methodology offers much promise for effective robust control of large space structures. The control method is a multivariable, adaptive, output predictive controller called Model Predictive Control (MPC). MPC uses a state space model and input reference trajectories of set or tracking points to adaptively generate optimum commands. For a fixed model, MPC processes commands with great efficiency, and is also highly robust. A key feature of MPC is its ability to control either nonminimum phase or open loop unstable systems. As an output controller, MPC does not explicitly require full state feedback, as do most multivariable (e.g., Linear Quadratic) methods. Its features are very useful in LSS operations, as they allow non-collocated actuators and sensors. The identification scheme is based on canonical variate analysis (CVA) of input and output data. The CVA technique is particularly suited for the measurement and identification of structural dynamic processes - that is, unsteady transient or dynamically interacting processes such as between aerodynamics and structural deformation - from short, noisy data. CVA is structured so that the identification can be done in real or near real time, using computationally stable algorithms. Modeling LSS dynamics in 1-g laboratories has always been a major impediment not only to understanding their behavior in orbit, but also to controlling it. In cases where the theoretical model is not confirmed, current methods provide few clues concerning additional dynamical relationships that are not included in the theoretical models. CVA needs no a priori model data, or structure; all statistically significant dynamical states are determined using natural, entropy-based methods. Heretofore, a major limitation in applying adaptive controllers to LSS problems has been the requirement for accurate models. We feel that MPC coupled with the CVA identification scheme will resolve this limitation. The results are based on research performed under an SBIR grant, administered by the Air Force Office of Scientific Research.

Carroll, J. V.↗