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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A megacam survey of outer halo satellites. VI. The spatially resolved star-formation history of the carina dwarf spheroidal galaxy

We present the spatially resolved star-formation history (SFH) of the Carina dwarf spheroidal galaxy, obtained from deep, wide-field g and r imaging and a metallicity distribution from the literature. Our photometry covers ∼2 deg{sup 2}, reaching up to ∼10 times the half-light radius of Carina with a completeness higher than 50% at g ∼ 24.5, more than one magnitude fainter than the oldest turnoff. This is the first time a combination of depth and coverage of this quality has been used to derive the SFH of Carina, enabling us to trace its different populations with unprecedented accuracy. We find that Carina’s SFH consists of two episodes well separated by a star-formation temporal gap. These episodes occurred at old (>10 Gyr) and intermediate (2–8 Gyr) ages. Our measurements show that the old episode comprises the majority of the population, accounting for 54 ± 5% of the stellar mass within 1.3 times the King tidal radius, while the total stellar mass derived for Carina is 1.60±0.09×10{sup 6} M{sub ⊙}, and the stellar mass-to-light ratio is 1.8 ± 0.2. The SFH derived is consistent with no recent star formation, which hints that the observed blue plume is due to blue stragglers. We conclude that the SFH of Carina evolved independently of the tidal field of the Milky Way, since the frequency and duration of its star-formation events do not correlate with its orbital parameters. This result is supported by the age–metallicity relation observed in Carina and the gradients calculated indicating that outer regions are older and more metal-poor.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Simulating Atmospheric Turbulence

Dimensionless time series for gusts and gradients calculated with model. Single-sided one-dimensional spectra obtained from Fourier analysis of simulated vertical gust. Each of four plots represents spectrum in one of four altitude bands ranging from 0 to 10 km. Model differs from most models; is nondimensional for greater generality and uses spectra with finite wave number limits. Developed to predict effects of atmospheric turbulence in horizontal and near-horizontal flight also applicable to commercial aviation.

Tatom, F. B.↗
NASA NTRS1983

A robust Feasible Directions algorithm for design synthesis

A nonlinear optimization algorithm is developed which combines the best features of the Method of Feasible Directions and the Generalized Reduced Gradient Method. This algorithm utilizes the direction-finding sub-problem from the Method of Feasible Directions to find a search direction which is equivalent to that of the Generalized Reduced Gradient Method, but does not require the addition of a large number of slack variables associated with inequality constraints. This method provides a core-efficient algorithm for the solution of optimization problems with a large number of inequality constraints. Further optimization efficiency is derived by introducing the concept of infrequent gradient calculations. In addition, it is found that the sensitivity of the optimum design to changes in the problem parameters can be obtained using this method without the need for second derivatives or Lagrange multipliers. A numerical example is given in order to demonstrate the efficiency of the algorithm and the sensitivity analysis.

Vanderplaats, G. N.↗
NASA NTRS1987

Optimal control concepts in design sensitivity analysis

A close link is established between open loop optimal control theory and optimal design by noting certain similarities in the gradient calculations. The resulting benefits include a unified approach, together with physical insights in design sensitivity analysis, and an efficient approach for simultaneous optimal control and design. Both matrix displacement and matrix force methods are considered, and results are presented for dynamic systems, structures, and elasticity problems.

Belegundu, Ashok D.↗
NASA NTRS1991

Application of a new K-tau model to near wall turbulent flows

A recently developed K-tau model for near wall turbulent flows is applied to a variety of test cases. The turbulent flows considered include the incompressible flat plate boundary layer with adverse pressure gradients, incompressible flow past a backward facing step, and the supersonic flat plate boundary layer at zero pressure gradient. Calculations are performed for this two-equation model using an anisotropic as well as isotropic eddy-viscosity. The model predictions are shown to compare quite favorably with experimental data.

Abid, R.↗
NASA NTRS1992

Theoretical characterization of the potential energy surface for NH + NO

The potential energy surface (PES) for NH + NO was characterized using complete active space self-consistent field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration interaction (CCI) calculations to refine the energetics. The present results are in qualitative accord with the BAC-MP4 calculations, but there are differences as large as 8 kcal/mol in the detailed energetics. Addition of NH to NO on a (2)A' surface, which correlated with N2 + OH or H + N2O products, involves barriers of 3.2 kcal/mol (trans) and 6.3 kcal/mol (cis). Experimental evidence for these barriers is found in earlier works. The (2)A' surface has no barrier to addition, but does not correlate with products. Surface crossings between the barrierless (2)A' surface and the (2)A' surface may be important. Production of N2 + OH products is predicted to occur via a planar saddle point of (2)A' symmetry. This is in accord with the preferential formation of II(A') lambda doublet levels of OH in earlier experiments. Addition of NH (1)delta to NO is found to occur on an excited state surface and is predicted to lead to N2O product as observed in earlier works.

Walch, Stephen P.↗
NASA NTRS1993

Theoretical characterization of the reaction CH3 +OH yields CH3OH yeilds products: The (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO channels

The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product channels using complete-active-space self-consistent-field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration-interaction (CCI) calculations to refine the energetics. The (1)CH2 + H2O channel is found to have no barrier. The long range interaction is dominated by the dipole-dipole term, which orients the respective dipole moments parallel to each other but pointing in opposite directions. At shorter separations there is a dative bond structure in which a water lone pair donates into the empty a" orbital of CH2. Subsequent insertion of CH2 into an OH bond of water have barriers located at -5.2 kcal/mol and 1.7 kcal/mol, respectively, with respect to CH3 + OH. From comparison of the computed energetics of the reactants and products to known thermochemical data it is estimated that the computed PES is accurate to plus or minus 2 kcal/mol.

Walch, Stephen P.↗
NASA NTRS1993

Theoretical characterization of the potential energy surface for NH + NO

The potential energy surface for NH + NO was characterized using complete active space self-consistent field (CASSCF) gradient calculation to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration interaction calculations to refine the energetics. The present results are in qualitative accord with the BAC-MP4 calculations, but there are differences as large as 8 kcal/mol in the detailed energetics.

Walch, Stephen P.↗
NASA NTRS1993

Theoretical characterization of the reaction CH3 + OH yields CH3OH yields products - The (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO channels

The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product channels using complete-active-space self-consistent-field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration-interaction (CCI) calculations to refine the energetics. The (1)CH2 + H2O channel is found to have no barrier. The long range interaction is dominated by the dipole-dipole term, which orients the respective dipole moments parallel to each other but pointing in opposite directions. At shorter separations there is a dative bond structure in which a water lone pair donates into the empty 'a' orbital of CH2. Subsequent insertion of CH2 into an OH bond of water have barriers located at -5.2 kcal/mol and 1.7 kcal/mol, respectively, with respect to CH3 + OH. From comparison of the computed energetics of the reactants and products to known thermochemical data it is estimated that the computed PES is accurate to plus or minus 2 kcal/mol.

Walch, Stephen P.↗
NASA NTRS1994

A structural fabric defined by topographic lineaments: Correlation with Tertiary deformation of Ellesmere and Axel Heiberg Islands, Canadian Arctic

Digital topographic contours from four 1:250000 scale maps have been gridded to produce a digital elevation model for part of Ellesmere and Axel Heiberg islands in the Canadian Arctic Islands. Gradient calculations were used to define both east and west dipping slopes defining a pattern of lineaments that have been compared with mapped geological structures. In ice-covered areas, where geological mapping was not possible, well-defined topographic lineaments have been identified and are correlated to extensions of major structural features. The northeast-southwest patterns of both topographic lineaments and mapped structures are strongly unimodal and support a single compressive event oriented at 67 deg west of north. This orientation is coincidental with the convergence direction calculated from the kinematic poles of rotation for Greenland relative to North America between 56 and 35 Ma. A minor secondary peak at 70 east of north is observed for thrust and normal fault solutions and is not directly related to the predicted convergence direction. Whether this represents a unique phase of deformation or is a subcomponent of a single event is not known. The agreement of structural components, lineament orientations, and convergence direction suggests an overwhelming over print of Eurekan deformation on any preexisting structural fabric. This study confirms, for the first time, an excellent compatibility between geological and geophysical constraints for the timing and geometry of the Eurekan orogeny.

Oakey, Gordon↗
NASA NTRS1999

Sensitivity Analysis for Coupled Aero-structural Systems

A novel method has been developed for calculating gradients of aerodynamic force and moment coefficients for an aeroelastic aircraft model. This method uses the Global Sensitivity Equations (GSE) to account for the aero-structural coupling, and a reduced-order modal analysis approach to condense the coupling bandwidth between the aerodynamic and structural models. Parallel computing is applied to reduce the computational expense of the numerous high fidelity aerodynamic analyses needed for the coupled aero-structural system. Good agreement is obtained between aerodynamic force and moment gradients computed with the GSE/modal analysis approach and the same quantities computed using brute-force, computationally expensive, finite difference approximations. A comparison between the computational expense of the GSE/modal analysis method and a pure finite difference approach is presented. These results show that the GSE/modal analysis approach is the more computationally efficient technique if sensitivity analysis is to be performed for two or more aircraft design parameters.

Giunta, Anthony A.↗
NASA NTRS2001

Parallelization of Program to Optimize Simulated Trajectories (POST3D)

This paper describes the parallelization of the Program to Optimize Simulated Trajectories (POST3D). POST3D uses a gradient-based optimization algorithm that reaches an optimum design point by moving from one design point to the next. The gradient calculations required to complete the optimization process, dominate the computational time and have been parallelized using a Single Program Multiple Data (SPMD) on a distributed memory NUMA (non-uniform memory access) architecture. The Origin2000 was used for the tests presented.

Hammond, Dana P.↗
DOE OSTI2023

Numerical Analysis of Regular Material Point Method and its Application to Multiphase Flows

The material point method (MPM) is gaining wide popularity in engineering research to model and simulate complex multiphase flow dynamics. The method relies on solving the governing equations of motion and transport in a Lagrangian framework using particles also known as material points. The fluid and kinematic properties are stored on the material points while the spatial gradient calculation and temporal integration are performed on a background grid. This Lagrangian framework allows for large deformations, easy integration of constitutive models, and direct import of complex geometries as particles. However, despite their increasing popularity, very few studies have addressed the issues of numerical resolution and stability of MPM techniques. The presence of additional factors such as the number of material points-per-cell, the location of the material points, the CFL-like condition used in time update, and the grid shape functions also increase the complexity of the error analysis when compared to other finite element methods. In this presentation, we analyze the various forms of error incurred in the application of MPM to continuum mechanics and multiphase flows. The effect of the previously mentioned factors on the error dynamics is studied. The application of these principles to canonical and industrial problems is also presented.

high pressure reverse osmosis↗
DOE OSTI2016

The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 method and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗