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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

NPSS on NASA's IPG: Using CORBA and Globus to Coordinate Multidisciplinary Aeroscience Applications

Within NASA's High Performance Computing and Communication (HPCC) program, the NASA Glenn Research Center is developing an environment for the analysis/design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. To this end, NPSS integrates multiple disciplines such as aerodynamics, structures, and heat transfer and supports "numerical zooming" between O-dimensional to 1-, 2-, and 3-dimensional component engine codes. In order to facilitate the timely and cost-effective capture of complex physical processes, NPSS uses object-oriented technologies such as C++ objects to encapsulate individual engine components and CORBA ORBs for object communication and deployment across heterogeneous computing platforms. Recently, the HPCC program has initiated a concept called the Information Power Grid (IPG), a virtual computing environment that integrates computers and other resources at different sites. IPG implements a range of Grid services such as resource discovery, scheduling, security, instrumentation, and data access, many of which are provided by the Globus toolkit. IPG facilities have the potential to benefit NPSS considerably. For example, NPSS should in principle be able to use Grid services to discover dynamically and then co-schedule the resources required for a particular engine simulation, rather than relying on manual placement of ORBs as at present. Grid services can also be used to initiate simulation components on parallel computers (MPPs) and to address inter-site security issues that currently hinder the coupling of components across multiple sites. These considerations led NASA Glenn and Globus project personnel to formulate a collaborative project designed to evaluate whether and how benefits such as those just listed can be achieved in practice. This project involves firstly development of the basic techniques required to achieve co-existence of commodity object technologies and Grid technologies; and secondly the evaluation of these techniques in the context of NPSS-oriented challenge problems. The work on basic techniques seeks to understand how "commodity" technologies (CORBA, DCOM, Excel, etc.) can be used in concert with specialized "Grid" technologies (for security, MPP scheduling, etc.). In principle, this coordinated use should be straightforward because of the Globus and IPG philosophy of providing low-level Grid mechanisms that can be used to implement a wide variety of application-level programming models. (Globus technologies have previously been used to implement Grid-enabled message-passing libraries, collaborative environments, and parameter study tools, among others.) Results obtained to date are encouraging: we have successfully demonstrated a CORBA to Globus resource manager gateway that allows the use of CORBA RPCs to control submission and execution of programs on workstations and MPPs; a gateway from the CORBA Trader service to the Grid information service; and a preliminary integration of CORBA and Grid security mechanisms. The two challenge problems that we consider are the following: 1) Desktop-controlled parameter study. Here, an Excel spreadsheet is used to define and control a CFD parameter study, via a CORBA interface to a high throughput broker that runs individual cases on different IPG resources. 2) Aviation safety. Here, about 100 near real time jobs running NPSS need to be submitted, run and data returned in near real time. Evaluation will address such issues as time to port, execution time, potential scalability of simulation, and reliability of resources. The full paper will present the following information: 1. A detailed analysis of the requirements that NPSS applications place on IPG. 2. A description of the techniques used to meet these requirements via the coordinated use of CORBA and Globus. 3. A description of results obtained to date in the first two challenge problems.

Lopez, Isaac↗
DOE OSTI2024

Realization of an Elusive U(III) Imido Complex

Abstract Reduction of Cp*( Tripp TerN)UI with KC 8 generates (KCp*( Tripp TerN)UI) 2 , the first example of a trivalent uranium imido, a previously elusive species, which are commonly unstable. Experimental and computational results indicate that the K + coordination is responsible for this isolable U(III) monoimido complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Spectral Mesh-Free Quadrature for Planar Regions Bounded by Rational Parametric Curves

This article presents spectral, mesh-free, Green’s theorem-based numerical quadrature schemes for integrating functions over planar regions bounded by rational parametric curves. Our algorithm proceeds in two steps: (1) We first find intermediate quadrature rules for line integrals along the region’s boundary curves corresponding to Green’s theorem. (2) We then use a high-order quadrature rule to compute the numerical antiderivative of the integrand along a coordinate axis, which is used to evaluate the Green’s theorem line integral. We present two methods to compute the intermediate quadrature rule. The first is spectrally accurate (it converges faster than any algebraic order with respect to number of quadrature points) and is relatively easy to implement, but has no guarantee of polynomial exactness. The second guarantees exactness for polynomial integrands up to a pre-specified degree with an a priori-known number of quadrature points and retains the convergence properties of the first, but is slightly more complicated. The quadrature schemes have applications to computation of geometric moments, immersogeometric analysis, conservative field transfer between high-order meshes, and initialization of multi-material simulations with rational geometry. We compare the quadrature schemes produced using our method to other methods in the literature and show that they are much more efficient both in terms of number of quadrature points and computational time. We provide an open-source implementation of the algorithm in MATLAB.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

GenASiS Mathematics: Object-oriented manifolds, operations, and solvers for large-scale physics simulations (version 2)

We report GenASiS Mathematics provides modern Fortran classes furnishing extensible object-oriented functionality for the solution of fields governed by selected partial differential equations. The initial release included extensible object-oriented implementations of simple meshes and the evolution of generic conserved currents thereon. This revision - Version 2 of Mathematics - includes significant reorganization and streamlining of these classes, higher-order reconstruction by a different method, a Poisson solver, coarsening to avoid Courant time step limitations near coordinate singularities, and the offloading of computational kernels to GPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

How does ion temperature gradient turbulence depend on magnetic geometry? Insights from data and machine learning

Magnetic geometry has a significant effect on the level of turbulent transport in fusion plasmas. Here, we model and analyse this dependence using multiple machine learning methods and a dataset of >200 000 nonlinear gyrokinetic simulations of ion-temperature-gradient turbulence in diverse non-axisymmetric geometries. The dataset is generated using a large collection of both optimised and randomly generated stellarator equilibria. At fixed gradients and other input parameters, the turbulent heat flux varies between geometries by several orders of magnitude. Trends are apparent among the configurations with particularly high or particularly low heat flux. Regression and classification techniques from machine learning are then applied to extract patterns in the dataset. Due to a symmetry of the gyrokinetic equation, the heat flux and regressions thereof should be invariant to translations of the raw features in the parallel coordinate, similar to translation invariance in computer vision applications. Multiple regression models including convolutional neural networks (CNNs) and decision trees can achieve reasonable predictive power for the heat flux in held-out test configurations, with highest accuracy for the CNNs. Using Spearman correlation, sequential feature selection and Shapley values to measure feature importance, it is consistently found that the most important geometric lever on the heat flux is the flux surface compression in regions of bad curvature. The second most important geometric feature relates to the magnitude of geodesic curvature. These two features align remarkably with surrogates that have been proposed based on theory, while the methods here allow a natural extension to more features for increased accuracy. The dataset, released with this publication, may also be used to test other proposed surrogates, and we find that many previously published proxies do correlate well with both the heat flux and stability boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Homoleptic An(IV) Dimethyl Sulfoxide Complexes of Th–Pu Enable Insight into Solution Speciation and Redox

A family of 8- and 9- coordinate homoleptic dimethyl sulfoxide An(IV) complexes is used to evaluate the solvation properties of tetravalent actinide ions in dimethyl sulfoxide (DMSO) vs aqueous media. These compounds are prepared from aqueous mixtures of DMSO and yield crystalline solids, whose solid-state electronic absorption spectra are compared to solution phase spectra, providing insight into the solution speciation. The thermodynamics of the equilibria between the 8- and 9-coordinate compounds were determined experimentally and computationally, showing a trend that correlates with ionic radius. Cyclic voltammetry data for the +IV/+III couples of Np and Pu in the DMSO electrolyte indicate that the +IV ions are significantly stabilized compared to aqueous media due to the more donating nature of DMSO compared to water. As a result, computational studies of these systems indicate that further reactivity may take place upon reduction to the +III oxidation state.

Actinides↗
DOE OSTI2024

Coordinate versus momentum cuts and effects of collective flow on critical fluctuations

We analyze particle number fluctuations in the crossover region near the critical endpoint of a first-order phase transition by utilizing molecular dynamics simulations of the classical Lennard-Jones fluid. We extend our previous study [V. A. Kuznietsov , ] by incorporating longitudinal collective flow. The scaled variance of particle number distribution inside different coordinate and momentum space acceptances is computed through ensemble averaging and found to agree with earlier results obtained using time averaging, validating the ergodic hypothesis for fluctuation observables. Presence of a sizable collective flow is found to be essential for observing large fluctuations from the critical point in momentum space acceptances. We discuss our findings in the context of heavy-ion collisions. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Neural Networks-Based Inverter Control: Modeling and Adaptive Optimization for Smart Distribution Networks

The optimal voltage control of inverter-based resources, especially under the high penetration of solar photovoltaics, is critical to the stability of the distribution power system. However, the computational complexity as well as the coordinated operation performance of the voltage control optimization in the distribution power system limits the real-time applications. To mitigate this issue, a model-free based adaptive optimal control scheme for the smart inverter is proposed to maximize the active power generation, minimize the power loss, and maintain the bus voltages in smart distribution networks. An inverter-based optimization model for coordinated operation is first established, considering the uncertainties of renewable power generation. Subsequently, by collecting the data and control strategies, the neural networks (NNs) based algorithm is proposed to efficiently predict the best possible control strategy. The main objective of this scheme is to accurately predict candidate optimal solutions with near-negligible feasibility and optimization gaps, with the advantage of avoiding complicated iteration-based numerical algorithms. Thereafter, the co-simulation among OpenDSS, MATLAB, and Python is set up to fully take advantage of the three individual software. Experiments are conducted based on different control parameter characteristics and structures of NNs. Finally, the results reveal that an average mean squared error of 0.013 and 1 ms response time are achieved, which is lower than some state-of-the-art methods.

42 ENGINEERING↗
DOE OSTI2020

Obtain3D_open

This computer code uses the concept of the parallax to compute the x, y and z coordinates of points found using transmission electron microscopy (TEM), or any transmission imaging technique, using two images, each taken at a different perspective of the region containing the points. Points correspond, but are not limited, to the center of cavities or precipitates, positions of irradiation black dot damage, positions along a dislocation line, or positions along where an interface meets a free surface. Features can include dislocations, interfaces, cavities, precipitates, inclusions etc. The x, y and z coordinates of the points are output in a text file. The code also allows the user to visualize the features containing the points in three dimensions.

Eftink, Benjamin↗
NASA NTRS1973

Mariner 9 control net Mars, June 1973

The latitude and longitude are reported for 1645 primary points in the control net of Mars. The points were derived from Mariner 9 photographs as of June 1973. The new Mariner 9 aerographic coordinates system used in performing the computations is discussed.

Davies, M. E.↗
NASA NTRS1974

Skylab Medical Data Center and Archives

The founding of the Skylab medical data center and archives as a central area to house medical data from space flights is described. Skylab program strip charts, various daily reports and summaries, experiment reports and logs, status report on Skylab data quality, raw data digital tapes, processed data microfilm, and other Skylab documents are housed in the data center. In addition, this memorandum describes how the data center acted as a central point for the coordination of preflight and postflight baseline data and how it served as coordinator for all data processing through computation and analysis. Also described is a catalog identifying Skylab medical experiments and all related data currently archived in the data center.

Spross, F. R.↗
NASA NTRS1975

A two-level trajectory decomposition algorithm featuring optimal intermediate target selection

A decomposition algorithm is presented that optimizes complex missions by partitioning the trajectory into natural segments such as ascent or entry. Each segment defines a full-rank targeting subproblem. These are solved sequentially using the Newton-Raphson algorithm. The master problem, representing the complete mission, is to determine subproblem targets and master-problem controls that optimize the mission objective subject to intersegment constraints. The gradient projection algorithm solves this problem using derivatives obtained analytically from finite-difference subproblem sensitivities. Thus, the mission is optimized by coordinating the solution of tractible subproblems. Computational results for a synchronous equatorial mission are included.

Petersen, F. M.↗
NASA NTRS1977

A two-level trajectory decomposition algorithm featuring optimal intermediate target selection

A decomposition algorithm is presented which optimizes complex missions by partitioning the trajectory into natural segments such as ascent or entry. Each segment defines a full-rank targeting subproblem. These are solved sequentially using the Newton-Raphson algorithm. The master problem, representing the complete mission, is to determine subproblem targets and master-problem controls that optimize the mission objective subject to intersegment constraints. The gradient projection algorithm solves this problem using derivatives obtained analytically from finite-difference subproblem sensitivities. Thus, the mission is optimized by coordinating the solution of tractible subproblems. Computational results for a synchronous equatorial mission are included.

Petersen, F. M.↗
NASA NTRS1979

An efficient user-oriented method for calculating compressible flow about three-dimensional inlets

This method uses a so-called panel method to calculate incompressible flow about arbitrary three-dimensional inlets with or without centerbodies for four fundamental flow conditions: unit onset flows parallel to each of the coordinate axes plus static operation. The computing time is scarcely longer than for a single solution. A linear superposition of these solutions quite rigorously gives incompressible flow about the inlet for any angle of attack, angle of yaw, and mass flow rate. Compressibility is accounted for by applying a well-proven correction to the incompressible flow. Since the computing times for the combination and the compressibility correction are small, flows at a large number of inlet operating conditions are obtained very cheaply. A number of graphical output features are provided to aid the user, including streamline tracing and automatic generation of curves of constant pressure, Mach number, and flow inclination at selected inlet cross sections. This paper describes the method in some detail and presents calculated results.

Hess, J. L.↗
NASA NTRS1979

A computational fluid dynamic technique valid at the centerline for non-axisymmetric problems in cylindrical coordinates

A technique is described for the numerical solution of non-axisymmetric flow problems posed in cylindrical coordinates when the z-axis is included in the flowfield. The highlight of the technique is the manner in which the singularities at the centerline are handled. Specifically, the governing flowfield equations at r = 0 are put in a special form by applying L'Hospital's Rule. The required radial derivatives are evaluated using a one-sided, second-order accurate, first-difference. This leads to a smooth, convergent calculation of the flowfield at the centerline. This appears to be the first generally applicable numerical method for avoiding coordinate system singularities in the context of a finite-difference scheme, and could have application to many nonaxisymmetric flows. The technique is illustrated by specific results for the time-dependent flowfield inside an internal combustion engine.

Griffin, M. D.↗
NASA NTRS1979

An efficient user-oriented method for calculating compressible flow in an about three-dimensional inlets

A panel method is used to calculate incompressible flow about arbitrary three-dimensional inlets with or without centerbodies for four fundamental flow conditions: unit onset flows parallel to each of the coordinate axes plus static operation. The computing time is scarcely longer than for a single solution. A linear superposition of these solutions quite rigorously gives incompressible flow about the inlet for any angle of attack, angle of yaw, and mass flow rate. Compressibility is accounted for by applying a well-proven correction to the incompressible flow. Since the computing times for the combination and the compressibility correction are small, flows at a large number of inlet operating conditions are obtained rather cheaply. Geometric input is aided by an automatic generating program. A number of graphical output features are provided to aid the user, including surface streamline tracing and automatic generation of curves of curves of constant pressure, Mach number, and flow inclination at selected inlet cross sections. The inlet method and use of the program are described. Illustrative results are presented.

Hess, J. L.↗
NASA NTRS1982

Evaluation of automated decisionmaking methodologies and development of an integrated robotic system simulation. Volume 2, Part 2: Appendixes B, C, D and E

The derivation of the equations is presented, the rate control algorithm described, and simulation methodologies summarized. A set of dynamics equations that can be used recursively to calculate forces and torques acting at the joints of an n link manipulator given the manipulator joint rates are derived. The equations are valid for any n link manipulator system with any kind of joints connected in any sequence. The equations of motion for the class of manipulators consisting of n rigid links interconnected by rotary joints are derived. A technique is outlined for reducing the system of equations to eliminate contraint torques. The linearized dynamics equations for an n link manipulator system are derived. The general n link linearized equations are then applied to a two link configuration. The coordinated rate control algorithm used to compute individual joint rates when given end effector rates is described. A short discussion of simulation methodologies is presented.

Lowrie, J. W.↗
NASA NTRS1982

On the dynamic collapse of a column impacting a rigid surface

Results are presented of an analytical investigation on the dynamic collapse of an elastic periodically supported column. The column has an attached mass at one end and impacts a rigid surface with prescribed velocity and angle of incidence at the other end. A first-order approximate nonlinear analysis is developed in which it is assumed that only first-order nonlinear terms need be retained. Differential equations are derived and solved numerically by explicit time integration in order to determine specific ranges of the basic nondimensional parameters for which the response characteristics are markedly different. To assess modeling sophistication relative to prediction accuracy, a comparison is made of the results from this approximate analysis with those of a finite element computer code based on a convected coordinate formulation.

Housner, J. M.↗