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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 1,711 records · Page 95

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DOE OSTI2014

Augmented reality building operations tool

A method (700) for providing an augmented reality operations tool to a mobile client (642) positioned in a building (604). The method (700) includes, with a server (660), receiving (720) from the client (642) an augmented reality request for building system equipment (612) managed by an energy management system (EMS) (620). The method (700) includes transmitting (740) a data request for the equipment (612) to the EMS (620) and receiving (750) building management data (634) for the equipment (612). The method (700) includes generating (760) an overlay (656) with an object created based on the building management data (634), which may be sensor data, diagnostic procedures, or the like. The overlay (656) is configured for concurrent display on a display screen (652) of the client (642) with a real-time image of the building equipment (612). The method (700) includes transmitting (770) the overlay (656) to the client (642).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Feasibility of DEIM for retrieving the initial field via dimensionality reduction

When parameter estimation is solved in a high-dimensional space, the dimensionality reduction strategy becomes the primary consideration for alleviating the tremendous computational cost. Here, the discrete empirical interpolation method (DEIM) is explored to retrieve the initial condition (IC) by combining the polynomial chaos (PC) based ensemble Kalman filter (i.e. PC-EnKF), where a non-intrusive PC expansion is considered as a surrogate model in place of the forward model in the prediction step of the ensemble Kalman filter, resulting in fewer forward model integrations but with a comparable accuracy as Monte Carlo-based approaches. The DEIM acts as a hyper-reduction tool to provide the low-dimensional input for the high-dimensional initial field, which can be reconstructed using the information on the sparse interpolation grid points that is adaptively obtained through PC-EnKF data assimilation method. Thus an innovative framework to reconstruct the IC is developed. The detailed procedure at each assimilation iteration includes: the determination of the spatial interpolation points, the estimation of the initial values on the interpolation locations using the optimal observations, and the reconstruction of IC in the full space. The current study uses the reconstruction field of initial conditions of the Navier-Stokes equations as an example to illustrate the efficacy of our method. The experimental results demonstrate the proposed algorithm achieves a satisfactory reconstruction for the initial field. The proposed method helps to extend the applicable area of DEIM in solving inverse problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1998

Efficient Methods to Assimilate Satellite Retrievals Based on Information Content: Suboptimal Retrieval Assimilation - Part 2

One of the outstanding problems in data assimilation has been and continues to be how best to utilize satellite data while balancing the tradeoff between accuracy and computational cost. A number of weather prediction centers have recently achieved remarkable success in improving their forecast skill by changing the method by which satellite data are assimilated into the forecast model from the traditional approach of assimilating retrievals to the direct assimilation of radiances in a variational framework. The operational implementation of such a substantial change in methodology involves a great number of technical details, e.g., pertaining to quality control procedures, systematic error correction techniques, and tuning of the statistical parameters in the analysis algorithm. Although there are clear theoretical advantages to the direct radiance assimilation approach, it is not obvious at all to what extent the improvements that have been obtained so far can be attributed to the change in methodology, or to various technical aspects of the implementation. The issue is of interest because retrieval assimilation retains many practical and logistical advantages which may become even more significant in the near future when increasingly high-volume data sources become available. The central question we address here is: how much improvement can we expect from assimilating radiances rather than retrievals, all other things being equal? We compare the two approaches in a simplified one-dimensional theoretical framework, in which problems related to quality control and systematic error correction are conveniently absent. By assuming a perfect radiative transfer model and perfect knowledge of radiance and background error covariances, we are able to formulate a nonlinear local error analysis for each assimilation method. Direct radiance assimilation is optimal in this idealized context, while the traditional method of assimilating retrievals is suboptimal because it ignores the cross-covariances between background errors and retrieval errors. We show that interactive retrieval assimilation (where the same background used for assimilation is also used in the retrieval step) is equivalent to direct assimilation of radiances with suboptimal analysis weights. We illustrate and extend these theoretical arguments with several one-dimensional assimilation experiments, where we estimate vertical atmospheric profiles using simulated data from both the High-resolution InfraRed Sounder 2 (HIRS2) and the future Atmospheric InfraRed Sounder (AIRS).

Joiner, J.↗

DOE OSTI2016

Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen

Understanding how to control the movement of protons and electrons is crucial to the design of fast, efficient electrocatalysts for hydrogen production and oxidation based on earth-abundant metals. Our work seeks to elucidate fundamental questions about proton movement. We have demonstrated that incorporating a pendant amine functioning as a proton relay in the second coordination sphere of a metal complex helps proton mobility, resulting in faster and more energy efficient catalysts. Proton transfer reactions are often rate limiting, and are influenced by several factors, such as pKa values, steric effects, hydrogen bonding, and solvation/desolvation of the exogenous base and acid employed. The presence of multiple protonation sites introduces branching points along the catalytic cycle, making less productive pathways accessible, or leading to the formation of stable off-cycle species. Using ligands with only one pendant amine mitigates this problem and results in catalysts with high rates for production of H2. For H2 oxidation catalysts, iron complexes with a high H2 binding affinity were developed. However, the improvement of H2 binding enthalpy resulted in a pKa mismatch between the protonated metal center and the protonated pendant amine, and consequently to rate-limiting intramolecular proton movement. Taken altogether, our results demonstrate the necessity of optimizing the entire catalytic cycle, as the optimization of a specific catalytic step can negatively influence another step, and not necessarily lead to better catalytic performance. We discuss a general procedure, based on thermodynamic arguments, which allows the simultaneous minimization of the free energy change of each catalytic step, yielding a nearly flat free energy surface, with no large barriers due to energy mismatches from either high- or low-energy intermediates. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for DOE.

hydrogen, catalysis, quantum chemistry, proton tra↗

DOE OSTI2021

Probabilistic error estimation for non-intrusive reduced models learned from data of systems governed by linear parabolic partial differential equations

This work derives a residual-based a posteriori error estimator for reduced models learned with non-intrusive model reduction from data of high-dimensional systems governed by linear parabolic partial differential equations with control inputs. It is shown that quantities that are necessary for the error estimator can be either obtained exactly as the solutions of least-squares problems in a non-intrusive way from data such as initial conditions, control inputs, and high-dimensional solution trajectories or bounded in a probabilistic sense. Here, the computational procedure follows an offline/online decomposition. In the offline (training) phase, the high-dimensional system is judiciously solved in a black-box fashion to generate data and to set up the error estimator. In the online phase, the estimator is used to bound the error of the reduced-model predictions for new initial conditions and new control inputs without recourse to the high-dimensional system. Numerical results demonstrate the workflow of the proposed approach from data to reduced models to certified predictions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Weak intramolecular interaction effects on the torsional spectra of ethylene glycol, an astrophysical species

An elaborate variational procedure of reduced dimensionality based on explicitly correlated coupled clusters calculations is applied to understand the far infrared spectrum of ethylene-glycol, an astrophysical species. This molecule can be classified in the double molecular symmetry group G{sub 8} and displays nine stable conformers, gauche and trans. In the gauche region, the effect of the potential energy surface anisotropy due to the formation of intramolecular hydrogen bonds is relevant. For the primary conformer, stabilized by a hydrogen bond, the ground vibrational state rotational constants are computed to be A{sub 0} = 15 369.57 MHz, B{sub 0} = 5579.87 MHz, and C{sub 0} = 4610.02 MHz corresponding to differences of 6.3 MHz, 7.2 MHz, and 3.5 MHz from the experimental parameters. Ethylene glycol displays very low torsional energy levels whose classification is not straightforward and requires a detailed analysis of the torsional wavefunctions. Tunneling splittings are significant and unpredictable due to the anisotropy of the potential energy surface PES. The ground vibrational state splits into 16 sublevels separated ∼142 cm{sup −1}. The splitting of the “G1 sublevels” was calculated to be ∼0.26 cm{sup −1} in very good agreement with the experimental data (0.2 cm{sup −1} = 6.95 MHz). Transitions corresponding to the three internal rotation modes allow assignment of previously observed Q branches. Band patterns, calculated between 362.3 cm{sup −1} and 375.2 cm{sup −1}, 504 cm{sup −1} and 517 cm{sup −1}, and 223.3 cm{sup −1} and 224.1 cm{sup −1}, that correspond to the tunnelling components of the v{sub 21} fundamental (v{sub 21} = OH-torsional mode), are assigned to the prominent experimental Q branches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Topics in Proton Structure: BSM answers to its radius puzzle and latticesubtleties within its momentum distribution

This thesis covers two subjects, brie y outlined below, of hadronic physics. The proton radius puzzle and the muon anomalous magnetic moment discrepancy point to possible signs of lepton-universality violation. We introduce the context and background necessary to understand these two problems. And we analyze two suitable beyond-the-standard-model solutions, one vector-based and one scalar-based, which simultaneously solves both issues. Furthermore, we demonstrate that the parameter space of the respective solutions can be chosen so as to not be completely forbidden by considered experimental constraints. Specifically, we show that certain violations, analyzed by other authors in the context of similar solutions to those proposed, are ameliorated if one adds to the proposed solutions particular criteria required for renormalizability. We also explore the field of lattice perturbation theory in the context of deep inelastic scattering. In particular, we study the connection between lattice-based Euclidean parton distributions and their experiment-based Minkowskian equivalents. These parton distributions are extracted from deep inelastic scattering processes in which leptons are scattered of hadronic targets at energy levels high enough to resolve the internal hadronic structure. To synchronize experiment with theory, one must find the proper matching criteria to transform approximations of parton distributions, known as quasidistributions, as they are resolved on a computer (i.e. the lattice), back to the full parton distributions extracted from experiment. We provide the necessary background to understand context of the above and show the procedures necessary to match experiment with the lattice. We demonstrate how one must tread carefully to properly perform such a matching.

Freid, Michael↗

DOE OSTI2023

Parallelized domain decomposition for multi-dimensional Lagrangian random walk mass-transfer particle tracking schemes

Lagrangian particle tracking schemes allow a wide range of flow and transport processes to be simulated accurately, but a major challenge is numerically implementing the inter-particle interactions in an efficient manner. This article develops a multi-dimensional, parallelized domain decomposition (DDC) strategy for mass-transfer particle tracking (MTPT) methods in which particles exchange mass dynamically. We show that this can be efficiently parallelized by employing large numbers of CPU cores to accelerate run times. In order to validate the approach and our theoretical predictions we focus our efforts on a well-known benchmark problem with pure diffusion, where analytical solutions in any number of dimensions are well established. In this work, we investigate different procedures for “tiling” the domain in two and three dimensions (2-D and 3-D), as this type of formal DDC construction is currently limited to 1-D. An optimal tiling is prescribed based on physical problem parameters and the number of available CPU cores, as each tiling provides distinct results in both accuracy and run time. We further extend the most efficient technique to 3-D for comparison, leading to an analytical discussion of the effect of dimensionality on strategies for implementing DDC schemes. Increasing computational resources (cores) within the DDC method produces a trade-off between inter-node communication and on-node work. For an optimally subdivided diffusion problem, the 2-D parallelized algorithm achieves nearly perfect linear speedup in comparison with the serial run-up to around 2700 cores, reducing a 5 h simulation to 8 s, while the 3-D algorithm maintains appreciable speedup up to 1700 cores.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1976

A block iterative finite element algorithm for numerical solution of the steady-state, compressible Navier-Stokes equations

An iterative method for numerically solving the time independent Navier-Stokes equations for viscous compressible flows is presented. The method is based upon partial application of the Gauss-Seidel principle in block form to the systems of nonlinear algebraic equations which arise in construction of finite element (Galerkin) models approximating solutions of fluid dynamic problems. The C deg-cubic element on triangles is employed for function approximation. Computational results for a free shear flow at Re = 1,000 indicate significant achievement of economy in iterative convergence rate over finite element and finite difference models which employ the customary time dependent equations and asymptotic time marching procedure to steady solution. Numerical results are in excellent agreement with those obtained for the same test problem employing time marching finite element and finite difference solution techniques.

Cooke, C. H.↗

NASA NTRS1981

Mapping irrigated lands in Western Kansas from Landsat

A description is presented of a multidate visual interpretation technique for identifying and mapping irrigated lands in Western Kansas based on gray tone interpretation of Landsat imagery. The technique provides detailed maps of irrigated lands that can be updated yearly (from 1972 onwards) and used as the basis for calculations of water use and its temporal trends. A review of remote sensing work on irrigated lands indicates that three different types of study have evolved, involving various combinations of desired final data and the means of arriving at it. Attention is given to crop characteristics, the development of an interpretation technique, the interpretation procedure, the computer assisted output, and aspects of verification and accuracy. It is pointed out that the considered technique is likely to be applicable to similar situations of a semi-arid area dominated by a small number of crops.

Williams, T. H. L.↗

NASA NTRS1985

The experimental computer control of a two-dimensional hyperbolic system

The experimental computer control of a two-dimensional hyperbolic system is described. The system consists of a 5-foot gold-coated rubber membrane mounted on a circular cylindrical drum. Seven electrodes reside on a command surface located behind the membrane inside the drum. These electrodes served as capacitive sensors and electrostatic force actuators of transverse membrane deflection. The membrane was modelled as flat, isotropic and uniformly tensioned. Transverse membrane deflections were expanded in normal modes. Controllers regulating membrane deflection are designed using aggregation and design procedures based upon sensor and actuator influence functions. The resulting control laws are implemented on a minicomputer in two sets of experiments. The experimental study confirms the theoretically predicted behavior of the system, usefulness of the aggregation and design procedures, and the expectation that spillover can be made a beneficial source of damping in residual systems.

Yam, Y.↗

NASA NTRS1987

Design sensitivity analysis of rotorcraft airframe structures for vibration reduction

Optimization of rotorcraft structures for vibration reduction was studied. The objective of this study is to develop practical computational procedures for structural optimization of airframes subject to steady-state vibration response constraints. One of the key elements of any such computational procedure is design sensitivity analysis. A method for design sensitivity analysis of airframes under vibration response constraints is presented. The mathematical formulation of the method and its implementation as a new solution sequence in MSC/NASTRAN are described. The results of the application of the method to a simple finite element stick model of the AH-1G helicopter airframe are presented and discussed. Selection of design variables that are most likely to bring about changes in the response at specified locations in the airframe is based on consideration of forced response strain energy. Sensitivity coefficients are determined for the selected design variable set. Constraints on the natural frequencies are also included in addition to the constraints on the steady-state response. Sensitivity coefficients for these constraints are determined. Results of the analysis and insights gained in applying the method to the airframe model are discussed. The general nature of future work to be conducted is described.

Murthy, T. Sreekanta↗

NASA NTRS1985

Filament wound data base development, revision 1

The objective was to update the present Space Shuttle Solid Rocket Booster (SRB) baseline reentry aerodynamic data base and to develop a new reentry data base for the filament wound case SRB along with individual protuberance increments. Lockheed's procedures for performing these tasks are discussed. Free fall of the SRBs after separation from the Space Shuttle Launch Vehicle is completely uncontrolled. However, the SRBs must decelerate to a velocity and attitude that is suitable for parachute deployment. To determine the SRB reentry trajectory parameters, including the rate of deceleration and attitude history during free-fall, engineers at Marshall Space Flight Center are using a six-degree-of-freedom computer program to predict dynamic behavior. Static stability aerodynamic coefficients are part of the information required for input into this computer program. Lockheed analyzed the existing reentry aerodynamic data tape (Data Tape 5) for the current steel case SRB. This analysis resulted in the development of Data Tape 7.

Sharp, R. Scott↗

NASA NTRS1990

Inductive knowledge acquisition experience with commercial tools for space shuttle main engine testing

Since 1984, an effort has been underway at Rocketdyne, manufacturer of the Space Shuttle Main Engine (SSME), to automate much of the analysis procedure conducted after engine test firings. Previously published articles at national and international conferences have contained the context of and justification for this effort. Here, progress is reported in building the full system, including the extensions of integrating large databases with the system, known as Scotty. Inductive knowledge acquisition has proven itself to be a key factor in the success of Scotty. The combination of a powerful inductive expert system building tool (ExTran), a relational data base management system (Reliance), and software engineering principles and Computer-Assisted Software Engineering (CASE) tools makes for a practical, useful and state-of-the-art application of an expert system.

Modesitt, Kenneth L.↗

NASA NTRS1989

Optimum mirror shapes and supports for light weight mirrors subjected to self-weight

A parametric design study of light weight mirror shapes with various support conditions was performed utilizing the finite element program NASTRAN. Improvements in the mirror performance were made based on the following design criteria: (1) minimization of the optical surface wavefront variations, (2) minimization of the self-weight directly related to cost of manufacturing, and (3) optimal location of support points. A preprocessor to automatically generate a finite element model for each mirror geometry was developed in order to obtain the structural deformations systematically. Additionally, a postprocessor, which prepares an input data file for FRINGE (an optical computer code) was developed for generating the optical deflections that lead to the surface wavefront variations. Procedures and modeling techniques to achieve the optimum (the lightest and stiffest mirror shape due to self-weight) are addressed.

Cho, Myung K.↗

NASA NTRS1991

Planning and Resource Management in an Intelligent Automated Power Management System

Power system management is a process of guiding a power system towards the objective of continuous supply of electrical power to a set of loads. Spacecraft power system management requires planning and scheduling, since electrical power is a scarce resource in space. The automation of power system management for future spacecraft has been recognized as an important R&D goal. Several automation technologies have emerged including the use of expert systems for automating human problem solving capabilities such as rule based expert system for fault diagnosis and load scheduling. It is questionable whether current generation expert system technology is applicable for power system management in space. The objective of the ADEPTS (ADvanced Electrical Power management Techniques for Space systems) is to study new techniques for power management automation. These techniques involve integrating current expert system technology with that of parallel and distributed computing, as well as a distributed, object-oriented approach to software design. The focus of the current study is the integration of new procedures for automatically planning and scheduling loads with procedures for performing fault diagnosis and control. The objective is the concurrent execution of both sets of tasks on separate transputer processors, thus adding parallelism to the overall management process.

Morris, Robert A.↗

NASA NTRS1995

Using an architectural approach to integrate heterogeneous, distributed software components

Many computer programs cannot be easily integrated because their components are distributed and heterogeneous, i.e., they are implemented in diverse programming languages, use different data representation formats, or their runtime environments are incompatible. In many cases, programs are integrated by modifying their components or interposing mechanisms that handle communication and conversion tasks. For example, remote procedure call (RPC) helps integrate heterogeneous, distributed programs. When configuring such programs, however, mechanisms like RPC must be used explicitly by software developers in order to integrate collections of diverse components. Each collection may require a unique integration solution. This paper describes improvements to the concepts of software packaging and some of our experiences in constructing complex software systems from a wide variety of components in different execution environments. Software packaging is a process that automatically determines how to integrate a diverse collection of computer programs based on the types of components involved and the capabilities of available translators and adapters in an environment. Software packaging provides a context that relates such mechanisms to software integration processes and reduces the cost of configuring applications whose components are distributed or implemented in different programming languages. Our software packaging tool subsumes traditional integration tools like UNIX make by providing a rule-based approach to software integration that is independent of execution environments.

Callahan, John R.↗

NASA NTRS2017

Cart3D Simulations for the Second AIAA Sonic Boom Prediction Workshop

Simulation results are presented for all test cases prescribed in the Second AIAA Sonic Boom Prediction Workshop. For each of the four nearfield test cases, we compute pressure signatures at specified distances and off-track angles, using an inviscid, embedded-boundary Cartesian-mesh flow solver with output-based mesh adaptation. The cases range in complexity from an axisymmetric body to a full low-boom aircraft configuration with a powered nacelle. For efficiency, boom carpets are decomposed into sets of independent meshes and computed in parallel. This also facilitates the use of more effective meshing strategies - each off-track angle is computed on a mesh with good azimuthal alignment, higher aspect ratio cells, and more tailored adaptation. The nearfield signatures generally exhibit good convergence with mesh refinement. We introduce a local error estimation procedure to highlight regions of the signatures most sensitive to mesh refinement. Results are also presented for the two propagation test cases, which investigate the effects of atmospheric profiles on ground noise. Propagation is handled with an augmented Burgers' equation method (NASA's sBOOM), and ground noise metrics are computed with LCASB.

Prediction↗