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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Large scale nonlinear numerical optimal control for finite element models of flexible structures

This paper discusses the development of large scale numerical optimal control algorithms for nonlinear systems and their application to finite element models of structures. This work is based on our expansion of the optimal control algorithm (DDP) in the following steps: improvement of convergence for initial policies in non-convex regions, development of a numerically accurate penalty function method approach for constrained DDP problems, and parallel processing on supercomputers. The expanded constrained DDP algorithm was applied to the control of a four-bay, two dimensional truss with 12 soft members, which generates geometric nonlinearities. Using an explicit finite element model to describe the structural system requires 32 state variables and 10,000 time steps. Our numerical results indicate that for constrained or unconstrained structural problems with nonlinear dynamics, the results obtained by our expanded constrained DDP are significantly better than those obtained using linear-quadratic feedback control.

Shoemaker, Christine A.↗
NASA NTRS1991

Implementation of the Lanczos eigen-solver for the CSI code on high performance computers

The focus of this research is to implement a Lanczos algorithm for the Control-Structure Integration (CSI) code which can exploit both parallel and vector capabilities provided by modern, high performance computers. A partial restoring orthogonality scheme is also developed and incorporated into the basic Lanczos algorithm. The numerical performance of the proposed parallel-vector Lanczos algorithm is demonstrated by solving for the frequencies and mode shapes of the Phase Zero CSI model. The superior performance of the Lanczos algorithm is illustrated in tabular form.

Nguyen, Duc T.↗
NASA NTRS2010

A Framework for Optimal Control Allocation with Structural Load Constraints

Conventional aircraft generally employ mixing algorithms or lookup tables to determine control surface deflections needed to achieve moments commanded by the flight control system. Control allocation is the problem of converting desired moments into control effector commands. Next generation aircraft may have many multipurpose, redundant control surfaces, adding considerable complexity to the control allocation problem. These issues can be addressed with optimal control allocation. Most optimal control allocation algorithms have control surface position and rate constraints. However, these constraints are insufficient to ensure that the aircraft's structural load limits will not be exceeded by commanded surface deflections. In this paper, a framework is proposed to enable a flight control system with optimal control allocation to incorporate real-time structural load feedback and structural load constraints. A proof of concept simulation that demonstrates the framework in a simulation of a generic transport aircraft is presented.

Frost, Susan A.↗
NASA NTRS2010

Probabilistic Structural Analysis Program

NASA/NESSUS 6.2c is a general-purpose, probabilistic analysis program that computes probability of failure and probabilistic sensitivity measures of engineered systems. Because NASA/NESSUS uses highly computationally efficient and accurate analysis techniques, probabilistic solutions can be obtained even for extremely large and complex models. Once the probabilistic response is quantified, the results can be used to support risk-informed decisions regarding reliability for safety-critical and one-of-a-kind systems, as well as for maintaining a level of quality while reducing manufacturing costs for larger-quantity products. NASA/NESSUS has been successfully applied to a diverse range of problems in aerospace, gas turbine engines, biomechanics, pipelines, defense, weaponry, and infrastructure. This program combines state-of-the-art probabilistic algorithms with general-purpose structural analysis and lifting methods to compute the probabilistic response and reliability of engineered structures. Uncertainties in load, material properties, geometry, boundary conditions, and initial conditions can be simulated. The structural analysis methods include non-linear finite-element methods, heat-transfer analysis, polymer/ceramic matrix composite analysis, monolithic (conventional metallic) materials life-prediction methodologies, boundary element methods, and user-written subroutines. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. NASA/NESSUS 6.2c is structured in a modular format with 15 elements.

Pai, Shantaram S.↗
DOE OSTI2025

Functional Relevance of CASP16 Nucleic Acid Predictions as Evaluated by Structure Providers

ABSTRACT Accurate biomolecular structure prediction enables the prediction of mutational effects, the speculation of function based on predicted structural homology, the analysis of ligand binding modes, experimental model building, and many other applications. Such algorithms to predict essential functional and structural features remain out of reach for biomolecular complexes containing nucleic acids. Here, we report a quantitative and qualitative evaluation of nucleic acid structures for the CASP16 blind prediction challenge by 12 of the experimental groups who provided nucleic acid targets. Blind predictions accurately model secondary structure and some aspects of tertiary structure, including reasonable global folds for some complex RNAs; however, predictions often lack accuracy in the regions of highest functional importance. All models have inaccuracies in non‐canonical regions where, for example, the nucleic‐acid backbone bends, deviating from an A‐form helix geometry, or a base forms a non‐standard hydrogen bond (not a Watson‐Crick base pair). These bends and non‐canonical interactions are integral to forming functionally important regions such as RNA enzymatic active sites. Additionally, the modeling of conserved and functional interfaces between nucleic acids and ligands, proteins, or other nucleic acids remains poor. For some targets, the experimental structures may not represent the only structure the biomolecular complex occupies in solution or in its functional life cycle, posing a future challenge for the community.

Biochemistry & Molecular Biology↗
DOE OSTI2019

Imaging an isolated water molecule using a single electron wave packet

Observing changes in molecular structure requires atomic-scale Ångstrom and femtosecond spatio-temporal resolution. We use the Fourier transform (FT) variant of laser-induced electron diffraction (LIED), FT-LIED, to directly retrieve the molecular structure of H 2 O+ with picometer and femtosecond resolution without a priori knowledge of the molecular structure nor the use of retrieval algorithms or ab initio calculations. We identify a symmetrically stretched H 2 O+ field-dressed structure that is most likely in the ground electronic state. We subsequently study the nuclear response of an isolated water molecule to an external laser field at four different field strengths. We show that upon increasing the laser field strength from 2.5 to 3.8 V/Å, the O–H bond is further stretched and the molecule slightly bends. The observed ultrafast structural changes lead to an increase in the dipole moment of water and, in turn, a stronger dipole interaction between the nuclear framework of the molecule and the intense laser field. Our results provide important insights into the coupling of the nuclear framework to a laser field as the molecular geometry of H 2 O+ is altered in the presence of an external field.

Chemistry↗
NASA NTRS1989

Topology of large-scale structure. IV - Topology in two dimensions

In a recent series of papers, an algorithm was developed for quantitatively measuring the topology of the large-scale structure of the universe and this algorithm was applied to numerical models and to three-dimensional observational data sets. In this paper, it is shown that topological information can be derived from a two-dimensional cross section of a density field, and analytic expressions are given for a Gaussian random field. The application of a two-dimensional numerical algorithm for measuring topology to cross sections of three-dimensional models is demonstrated.

Melott, Adrian L.↗
NASA NTRS1983

A quasi-Newton versus a homotopy method for nonlinear structural analysis

The globally convergent quasi-Newton minimization algorithm and the homotopy algorithms are discussed in detail and their effectiveness in solving certain classes of highly nonlinear problems of structural analysis is demonstrated. The application of the double dogleg strategy controls the directions and step-lengths of the quasi-Newtonian algorithm and overcomes the problem of nonpositive definite Hessians being produced during the iteration process. The algorithms are applied to a centrally loaded clamped beam, the snap-through of a shallow arch, and a shallow reticulated dome.

Kamat, M. P.↗
NASA NTRS1990

Constructing second-order structural models with specified mass submatrix condition numbers

This paper presents a simple new algorithm for constructing second-order models for any given flexible structure, with these models satisfying the constraint that each leading principal submatrix of the mass matrix must have a specified condition number. Now, the effects of rounding errors in practical computation generally increase with increasing condition number, i.e. as the matrix considered approaches singularity. Thus, the new models should prove useful for the systematic testing of the numerical properties of many algorithms in the dynamics and control of flexible structures.

Williams, T.↗
DOE OSTI2018

Improved Models for Metallic Nanoparticle Cores from Atomic Pair Distribution Function (PDF) Analysis

X-ray atomic pair distribution functions (PDFs) were collected from a range of canonical metallic nanomaterials, both elemental and alloyed, prepared using different synthesis methods and exhibiting drastically different morphological properties. Widely applied shape-tuned attenuated crystal (AC) fcc models proved inadequate, yielding structured, coherent, and correlated fit residuals. However, equally simple discrete cluster models could account for the largest amplitude features in these difference signals. A hypothesis testing based approach to nanoparticle structure modeling systematically ruled out effects from crystallite size, composition, shape, and surface faceting as primary factors contributing to the AC misfit. On the other hand, decahedrally twinned cluster cores were found to be the origin of the AC structure misfits for a majority of the nanomaterials reported here. It is further motivated that the PDF can readily differentiate between the arrangement of domains in these multiply twinned motifs. Most of the nanomaterials surveyed also fall within the sub-5 nm size regime where traditional electron microscopy cannot easily detect and quantify domain structures, with sampling representative of the average nanocrystal synthesized. Here, the results demonstrate that PDF analysis is a powerful method for understanding internal atomic interfaces in small noble metallic nanomaterials. Such core cluster models, easily built algorithmically, should serve as starting structures for more advanced models able to capture atomic positional disorder, ligand induced or otherwise, near nanocrystal surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Aspects of Unstructured Grids and Finite-Volume Solvers for the Euler and Navier-Stokes Equations

One of the major achievements in engineering science has been the development of computer algorithms for solving nonlinear differential equations such as the Navier-Stokes equations. These algorithms are now used in the practical engineering design of devices such as cars and airplanes as well as theoretical studies of complex phenomena such as fluid turbulence. In past years, limited computer resources have motivated the development of efficient numerical methods in computational fluid dynamics (CFD) utilizing structured meshes. These meshes are comprised of systematic arrays of quadrilateral or hexahedral cells. The use of structured meshes greatly simplifies the implementation of CFD algorithms on conventional computers. Structured meshes also permit the use of highly efficient solution techniques such as alternating direction implicit (ADI) iteration schemes or multigrid. Following the dramatic improvement in computing speed in recent years, emphasis has shifted towards the design of algorithms capable of treating complex geometries. The automatic generation of structured grids about complex geometries is problematic. Unstructured grids offer one promising alternative technique for treating these general geometries. Unstructured meshes have irregular connectivity and usually contain triangles and/or quadrilaterals in two dimensions and tetrahedra and/or hexahedra in three dimensions. The generation and use of unstructured grids poses new challenges in computational fluid dynamics. This is true for both grid generation as well as for the design of algorithms for flow solution. The purpose of these notes is to present recent developments in the unstructured grid generation and flow solution technology.

Barth, T. J.↗
DOE OSTI2022

Particle Swarm Optimisation for group structure optimization for radiotherapy shielding

Neutron transport simulations are ubiquitous in nuclear engineering because they allow one to model experimental systems and render a model platform for easy perturbation of experimental designs. In addition, simulations allow one to gain experimental insight without actually having to go through the trouble of building a physical experiment. Neutron transport simulations can be stochastic or deterministic based. Stochastic neutron transport simulations are typically simulated using the Monte Carlo method and yield very accurate solutions but are computationally expensive, while deterministic methods are typically faster but can be less accurate. Here we focus on optimizing the accuracy of deterministic neutron transport simulations for radiotherapy simulations. Deterministic neutron transport requires discretization of angle, energy, and space to appropriately analyze the system one is trying to model. Discretization of energy is challenging because of the highly variable neutron flux at certain neutron energies. Improper discretization of energy in the transport model can lead to erroneous results and therefore inaccurate interpretations of the solution. In this study, we evaluate Particle Swarm Optimization (PSO) as a mechanism for selecting optimal group structures for radiotherapy shielding. We tested the particle swarm optimization algorithm on radiotherapy shielding problems using Los Alamos National Laboratory's (LANL) main deterministic transport code PARTISN. Results show that the optimized energy group structures generated from the optimization algorithm outperformed LANL's standard energy group structures, and therefore demonstrate utility in using PSO to expedite computation times due to the increased accuracy obtained with a smaller but optimized group structure. (authors)

43 PARTICLE ACCELERATORS↗
NASA NTRS1991

A fast algorithm for control and estimation using a polynomial state-space structure

One of the major problems associated with the control of flexible structures is the estimation of system states. Since the parameters of the structures are not constant under varying loads and conditions, conventional fixed parameter state estimators can not be used to effectively estimate the states of the system. One alternative is to use a state estimator which adapts to the condition of the system. One such estimator is the Kalman filter. This filter is a time varying recursive digital filter which is based upon a model of the system being measured. This filter adapts the model according to the output of the system. Previously, the Kalman filter has only been used in an off-line capacity due to the computational time required for implementation. With recent advances in computer technology, it is becoming a viable tool for use in the on-line environment. A distributed Kalman filter implementation is described for fast estimation of the state of a flexible arm. A key issue, is the sensor structure and initial work on a distributed sensor that could be used with the Kalman filter is presented.

Shults, James R.↗
DOE OSTI2022

Mitigating the Impacts of Uncertain Geomagnetic Disturbances on Electric Grids: A Distributionally Robust Optimization Approach

Severe geomagnetic disturbances (GMDs) increase the magnitude of the electric field on the Earth’s surface (E-field) and drive geomagnetically-induced currents (GICs) along the transmission lines in electric grids. These additional currents can pose severe risks, such as current distortions, transformer saturation and increased reactive power losses, each of which can lead to system unreliability. Today several mitigation actions (e.g., changing grid topology) exist that can reduce the harmful GIC effects on the grids. Making such decisions can be challenging, however, because the magnitude and direction of the E-field are uncertain and non-stationary. In this paper, we model uncertain E-fields using the distributionally robust optimization (DRO) approach that determines optimal transmission grid operations such that the worst-case expectation of the system cost is minimized. We also capture the effect of GICs on the nonlinear AC power flow equations. For solution approaches, we develop an accelerated column-and-constraint generation (CCG) algorithm by exploiting a special structure of the support set of uncertain parameters representing the E-field. Extensive numerical experiments based on “epri-21” and “uiuc-150” systems, designed for GMD studies, demonstrate (i) the computational performance of the accelerated CCG algorithm, (ii) the superior performance of distributionally robust grid operations that satisfy nonlinear, nonconvex AC power flow equations and GIC constraints, in comparison with standard stochastic programming-based methods during the out-of-sample testing.

42 ENGINEERING↗
NASA NTRS1990

A two-level structure for advanced space power system automation

The tasks to be carried out during the three-year project period are: (1) performing extensive simulation using existing mathematical models to build a specific knowledge base of the operating characteristics of space power systems; (2) carrying out the necessary basic research on hierarchical control structures, real-time quantitative algorithms, and decision-theoretic procedures; (3) developing a two-level automation scheme for fault detection and diagnosis, maintenance and restoration scheduling, and load management; and (4) testing and demonstration. The outlines of the proposed system structure that served as a master plan for this project, work accomplished, concluding remarks, and ideas for future work are also addressed.

Loparo, Kenneth A.↗
NASA NTRS2014

Preliminary Structural Design Using Topology Optimization with a Comparison of Results from Gradient and Genetic Algorithm Methods

In this paper, genetic algorithm based and gradient-based topology optimization is presented in application to a real hardware design problem. Preliminary design of a planetary lander mockup structure is accomplished using these methods that prove to provide major weight savings by addressing the structural efficiency during the design cycle. This paper presents two alternative formulations of the topology optimization problem. The first is the widely-used gradient-based implementation using commercially available algorithms. The second is formulated using genetic algorithms and internally developed capabilities. These two approaches are applied to a practical design problem for hardware that has been built, tested and proven to be functional. Both formulations converged on similar solutions and therefore were proven to be equally valid implementations of the process. This paper discusses both of these formulations at a high level.

Burt, Adam O.↗
DOE OSTI2025

Curiosity driven exploration to optimize structure–property learning in microscopy

Rapidly determining structure–property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of the local structure, while spectroscopic measurements provide relevant functional property information. Deep kernel active learning approaches have been utilized to rapidly map local structure to functional properties in microscopy experiments, but are computationally expensive for multi-dimensional and correlated output spaces. Here, we present an alternative lightweight curiosity algorithm which actively samples regions with unexplored structure–property relations, utilizing a deep-learning based surrogate model for error prediction. We show that the algorithm outperforms random sampling for predicting properties from structures, and provides a convenient tool for efficient mapping of structure–property relationships in materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Autonomous Polycrystalline Material Decomposition For Hyperspectral Neutron Tomography

Hyperspectral neutron tomography is an effective method for analyzing crystalline material samples with complex compositions in a non-destructive manner. Since the counts in the hyperspectral neutron radiographs directly depend on the neutron cross-sections, materials may exhibit contrasting neutron responses across wavelengths. Therefore, it is possible to extract the unique signatures associated with each material and use them to separate the crystalline phases simultaneously.We introduce an autonomous material decomposition (AMD) algorithm to automatically characterize and localize polycrystalline structures using Bragg edges with contrasting neutron responses from hyperspectral data. The algorithm estimates the linear attenuation coefficient spectra from the measured radiographs and then uses these spectra to perform polycrystalline material decomposition and reconstructs 3D material volumes to localize materials in the spatial domain. Our results demonstrate that the method can accurately estimate both the linear attenuation coefficient spectra and associated reconstructions on both simulated and experimental neutron data.

Samin nur chowdhury, Mohammad↗