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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Water balance model (WBM) v.1.0.0: a scalable gridded global hydrologic model with water-tracking functionality

Abstract. This paper describes the University of New Hampshire Water Balance Model, WBM, a process-based gridded global hydrologic model that simulates the land surface components of the global water cycle and includes water extraction for use in agriculture and domestic sectors. The WBM was first published in 1989; here, we describe the first fully open-source WBM version (v.1.0.0). Earlier descriptions of WBM methods provide the foundation for the most recent model version that is detailed here. We present an overview of the model functionality, utility, and evaluation of simulated global river discharge and irrigation water use. This new version adds a novel suite of water source tracking modules that enable the analysis of flow-path histories on water supply. A key feature of WBM v.1.0.0 is the ability to identify the partitioning of sources for each stock or flux within the model. Three different categories of tracking are available: (1) primary inputs of water to the surface of the terrestrial hydrologic cycle (liquid precipitation, snowmelt, glacier melt, and unsustainable groundwater); (2) water that has been extracted for human use and returned to the terrestrial hydrologic system; and (3) runoff originating from user-defined spatial land units. Such component tracking provides a more fully transparent model in that users can identify the underlying mechanisms generating the simulated behavior. We find that WBM v.1.0.0 simulates global river discharge and irrigation water withdrawals well, even with default parameter settings, and for the first time, we are able to show how the simulation arrives at these fluxes by using the novel tracking functions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

Kepler Planet Detection Metrics: Window and One-Sigma Depth Functions for Data Release 25

This document describes the window and one-sigma depth functions relevant to the Transiting Planet Search (TPS) algorithm in the Kepler pipeline (Jenkins 2002; Jenkins et al. 2017). The window function specifies the fraction of unique orbital ephemeris epochs over which three transits are observable as a function of orbital period. In this context, the epoch and orbital period, together, comprise the ephemeris of an orbiting companion, and ephemerides with the same period are considered equivalent if their epochs differ by an integer multiple of the period. The one-sigma depth function specifies the depth of a signal (in ppm) for a given light curve that results in a one-sigma detection of a transit signature as a function of orbital period when averaged over all unique orbital ephemerides. These planet detection metrics quantify the ability of TPS to detect a transiting planet signature on a star-by-star basis. They are uniquely applicable to a specific Kepler data release, since they are dependent on the details of the light curves searched and the functionality of the TPS algorithm used to perform the search. This document describes the window and one-sigma depth functions relevant to Kepler Data Release 25 (DR25), where the data were processed (Thompson et al. 2016) and searched (Twicken et al. 2016) with the SOC 9.3 pipeline. In Section 4, we describe significant differences from those reported in Kepler Data Release 24 (Burke Seader 2016) and document our verification method.

Planet Detection Metrics↗
DOE OSTI2023

Synthesis and functionalization of electron-deficient perfluoroalkyl porphyrin building blocks for supermolecular systems

Synthetic strategies for electron-deficient meso-perfluoroalkylporphyrins bearing diverse functional groups are described. Scalable and efficient syntheses for 5-triisopropylsilylethynyl-10,15,20-tris(heptafluoropropyl)porphyrin and 5-triisopropylsilylethynyl-10,20-bis(heptafluoropropyl)porphyrin that equip meso-ethynyl functional groups via the bilane route have been established, along with a refined route to [5,15-bis(heptafluoropropyl)porphinato]zinc(II). meso-Position halogenation of [5,15-bis(heptafluoropropyl)porphinato]zinc(II) was achieved by selective meso-nitration and subsequent reduction, diazonium salt formation, and iodination reactions. Computational data describe the low energy excited states of these chromophores and the electronic structural factors that control reactivity of these meso-perfluoroalkyl substituted porphyrin complexes. meso-Functionalized [5-triisopropylsilylethynyl-10,20-bis(heptafluoropropyl)porphinato]zinc(II) and [5-iodo-10,20-bis(heptafluoropropyl)porphinato]zinc(II) building blocks lay the foundation for the construction of highly conjugated multiporphyrin arrays that feature electronic structural properties important for the development of n-type materials and high potential photooxidants.

Chemistry↗
DOE OSTI2020

Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT

Long range-corrected (LRC) or range-separated hybrid (RSH) functionals where the long-range (LR) limit of electronic interactions is set to the exact exchange have been shown to correct the tendency of traditional density functional theory (DFT) to underestimate the frontier orbital gap. Consequently, the use of such functionals in calculating electronic excited states using linear response based time-dependent DFT (TDDFT) has been successful in correcting the tendency for underestimating the energies of charge transfer states by DFT-based calculations. More recently formulations of functionals that attenuate the LR limit to address condensed-phase effects to polarize the electronic density have been reported. In particular screened RSH (SRSH) combined with polarizable continuum model (PCM) was benchmarked successfully in reproducing the fundamental gap and charge transfer state energies of molecular systems in the condensed phase. Here we use SRSH-PCM to address triplet excited states, and show its success in obtaining correspondence of the low-lying triplet states to the singlet–triplet gap in a similar way that the fundamental orbital gap corresponds to electron removal and addition energies. Importantly, the accuracy of the SRSH-PCM in calculating triplet excitations stands on the polarization consistent framework in addressing the scalar dielectric constant and without affecting the optimal tuning by triplet energies. Finally, the prospect of even further improving the SRSH-PCM accuracy in calculating triplet states can be achieved by optimal tuning on the basis of the spin multiplicity gap.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Description of small-scale fluctuations in the diffuse X-ray background.

An analytical study of the fluctuations on a small angular scale expected in the diffuse X-ray background in the presence of unresolved sources is presented. The source population is described by a function N(S), giving the number of sources per unit solid angle and unit apparent flux S. The distribution of observed flux, s, in each angular resolution element of a complete sky survey is represented by a function Q(s). The analytical relation between the successive, higher-order moments of N(S) and Q(s) is described. The goal of reconstructing the source population from the study of the moments of Q(s) of order higher than the second (i.e., the rms fluctuations) is discussed.

Cavaliere, A.↗
NASA NTRS1981

HiMAT onboard flight computer system architecture and qualification

Two highly maneuverable aircraft technology (HiMAT) remotely piloted research vehicles (RPRV's) are being flight tested at NASA Dryden Flight Research Center, Edwards, California, to demonstrate and evaluate a number of technological advances applicable to future fighter aircraft. Closed-loop primary flight control is performed from a ground-based cockpit utilizing a digital computer and up/down telemetry links. A backup flight control system for emergency operation resides in one of two onboard computers. Other functions of the onboard computer system are uplink processing, downlink processing, engine control, failure detection, and redundancy management. This paper describes the architecture, functions, and flight qualification of the HiMAT onboard flight computer systems.

Myers, A. F.↗
NASA NTRS1997

A Unified Directional Spectrum for Long and Short Wind-Driven Waves

Review of several recent ocean surface wave models finds that while comprehensive in many regards, these spectral models do not satisfy certain additional, but fundamental, criteria. We propose that these criteria include the ability to properly describe diverse fetch conditions and to provide agreement with in situ observations of Cox and Munk [1954] and Jiihne and Riemer [1990] and Hara et al. [1994] data in the high-wavenumber regime. Moreover, we find numerous analytically undesirable aspects such as discontinuities across wavenumber limits, nonphysical tuning or adjustment parameters, and noncentrosymmetric directional spreading functions. This paper describes a two-dimensional wavenumber spectrum valid over all wavenumbers and analytically amenable to usage in electromagnetic models. The two regime model is formulated based on the Joint North Sea Wave Project (JONSWAP) in the long-wave regime and on the work of Phillips [1985] and Kitaigorodskii [1973] at the high wavenumbers. The omnidirectional and wind-dependent spectrum is constructed to agree with past and recent observations including the criteria mentioned above. The key feature of this model is the similarity of description for the high- and low-wavenumber regimes; both forms are posed to stress that the air-sea interaction process of friction between wind and waves (i.e., generalized wave age, u/c) is occurring at all wavelengths simultaneously. This wave age parameterization is the unifying feature of the spectrum. The spectrum's directional spreading function is symmetric about the wind direction and has both wavenumber and wind speed dependence. A ratio method is described that enables comparison of this spreading function with previous noncentrosymmetric forms. Radar data are purposefully excluded from this spectral development. Finally, a test of the spectrum is made by deriving roughness length using the boundary layer model of Kitaigorodskii. Our inference of drag coefficient versus wind speed and wave age shows encouraging agreement with Humidity Exchange Over the Sea (HEXOS) campaign results.

Elfouhaily, T.↗
DOE OSTI2018

PARTONS: PARtonic Tomography Of Nucleon Software

We describe the architecture and functionalities of a C++ software framework, coined PARTONS, dedicated to the phenomenology of Generalized Parton Distributions. These distributions describe the three-dimensional structure of hadrons in terms of quarks and gluons, and can be accessed in deeply exclusive lepto- or photo-production of mesons or photons. PARTONS provides a necessary bridge between models of Generalized Parton Distributions and experimental data collected in various exclusive production channels. We outline the specification of the PARTONS framework in terms of practical needs, physical content and numerical capacity. This framework will be useful for physicists - the-orists or experimentalists - not only to develop new models, but also to interpret existing measurements and even design new experiments

Berthou, B.↗
DOE OSTI2021

Coding the Computing Continuum: Fluid Function Execution in Heterogeneous Computing Environments

Advances in network technologies have greatly decreased barriers to accessing physically distributed computers. This newfound accessibility coincides with increasing hardware specialization, creating exciting new opportunities to dispatch workloads to the best resource for a specific purpose, rather than those that are closest or most easily accessible. We present Delta, a service designed to intelligently schedule function-based workloads across a distributed set of heterogeneous computing resources. Delta implements an extensible architecture in which different predictors and scheduling algorithms can be integrated to provide dynamically evolving estimates of function execution times on different resources-estimates that can be used to determine the most appropriate location for execution. We describe predictors for function runtime, data transfer time, and cold-start resource provisioning and configuration delay; dynamic learning methods that update predictor models over time; and scheduling strategies that take into account both function and endpoint information. We show that these methods can halve workload makespan when compared with a strategy that selects the fastest resource, and decrease makespan by a factor of five when compared to a round robin strategy, when deployed on a heterogeneous testbed with resources ranging from a Raspberry Pi to a GPU node in an academic cloud.

Computing continuum↗
DOE OSTI2019

Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H 2 + Cu(111) and H 2 + Ag(111)

Specific reaction parameter density functionals (SRP-DFs), which can describe dissociative chemisorption reactions on metals to within chemical accuracy, have so far been based on exchange functionals within the generalized gradient approximation (GGA) and on GGA correlation functionals or van der Waals correlation functionals. These functionals are capable of describing the molecule–metal surface interaction accurately, but they suffer from the general GGA problem that this can be done only at the cost of a rather poor description of the metal. Here, we show that it is possible also to construct SRP-DFs for H 2 dissociation on Cu(111) based on meta-GGA functionals, introducing three new functionals based on the “made-simple” (MS) concept. The exchange parts of the three functionals (MS-PBEl, MS-B86bl, and MS-RPBEl) are based on the expressions for the PBE, B86b, and RPBE exchange functionals. Quasi-classical trajectory (QCT) calculations performed with potential energy surfaces (PESs) obtained with the three MS functionals reproduce molecular beam experiments on H 2 , D 2 + Cu(111) with chemical accuracy. Therefore, these three non-empirical functionals themselves are also capable of describing H2 dissociation on Cu(111) with chemical accuracy. Similarly, QCT calculations performed on the MS-PBEl and MS-B86bl PESs reproduced molecular beam and associative desorption experiments on D 2 , H 2 + Ag(111) more accurately than was possible with the SRP48 density functional for H 2 + Cu(111). Also, the three new MS functionals describe the Cu, Ag, Au, and Pt metals more accurately than the all-purpose Perdew–Burke–Ernzerhof (PBE) functional. The only disadvantage we noted of the new MS functionals is that, as found for the example of H 2 + Cu(111), the reaction barrier height obtained by taking weighted averages of the MS-PBEl and MS-RPBEl functionals is tunable over a smaller range (9 kJ/mol) than possible with the standard GGA PBE and RPBE functionals (33 kJ/mol). As a result of this restricted tunability, it is not possible to construct an SRP-DF for H 2 + Ag(111) on the basis of the three examined MS meta-GGA functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Planetary/DOD entry technology flight experiments. Volume 3: Planetary entry flight experiments handbook

The environments produced by entry into Jupiter and Saturn atmospheres are summarized. Worst case design environments are identified and the effect of entry angle, type of atmosphere and ballistic coefficient variations are presented. The range of environments experienced during earth entry is parametrically described as a function of initial entry conditions. The sensitivity of these environments to vehicle ballistic coefficient and nose radius is also shown. An elliptical deorbit maneuver strategy is defined in terms of the velocity increment required versus initial entry conditions and apoapsis altitude. Mission time, ground track, and out of plane velocity penalties are also presented. Performance capabilities of typical shuttle launched boosters are described including the initial entry conditions attainable as a function of paylaod mass and apoapsis altitude.

Christensen, H. E.↗
NASA NTRS1973

A computer program to calculate zeroes, extrema, and interval integrals for the associated Legendre functions

A computer program is described for the calculation of the zeroes of the associated Legendre functions, Pnm, and their derivatives, for the calculation of the extrema of Pnm and also the integral between pairs of successive zeroes. The program has been run for all n,m from (0,0) to (20,20) and selected cases beyond that for n up to 40. Up to (20,20), the program (written in double precision) retains nearly full accuracy, and indications are that up to (40,40) there is still sufficient precision (4-5 decimal digits for a 54-bit mantissa) for estimation of various bounds and errors involved in geopotential modelling, the purpose for which the program was written.

Payne, M. H.↗
DOE OSTI2021

Exploring the 3D nucleon structure with CLAS and CLAS12 at JLAB

Exploring the 3 dimensional structure of the nucleon can help to understand several fundamental questions of nature, such as the origin of the nucleon spin and the charge and density distributions inside the nucleon. In QCD, the 3-dimensional structure of the nucleon is described by Wigner functions. However, experimentally momentum and coordinate space have to be assessed independently. The momentum distribution can be accessed by transverse momentum dependent distribution functions (TMDs) measured in semi-inclusive deep inelastic scattering (SIDIS) or Drell-Yan processes while the distribution in transverse coordinate and longitudinal momentum space is described by generalized parton distributions (GPDs) which can be accessed for example by deeply virtual Compton scattering (DVCS) and hard exclusive meson production (DVMP). Based on the high quality data of CLAS and the recently upgraded CLAS12 detector at Jefferson Laboratory (JLAB), a detailed study of these distribution functions is being performed. With the new CLAS12 data, multidimensional, high precision studies in an extended kinematic range become possible for the first time. The talk will present the results of recent SIDIS, DVCS and DVMP studies with CLAS and CLAS12 and their impact on the understanding of the 3D nucleon structure.

Diehl, Stefan↗
DOE OSTI2026

Ion Transport in Charged Membranes: Linking Electric-Field-Driven Mechanisms to Pore Size via Perturbation Analysis

Ion-exchange membranes are a critical component in electrochemical systems. Nevertheless, the understanding and modeling of ion transport within these porous structures have been limited by particular complexity reductions, either ignoring the dimensionality of their porous network architecture or imposing geometric assumptions (i.e., overlapping double layers). Before addressing this morphology-transport gap, a framework that relates the driving forces of transport to the geometry of a single pore is required. In this work, our modeling domain consists of a two-dimensional single pore with charged walls, connecting two identical electrolyte reservoirs. Using the Poisson-Nernst-Planck equations and regular perturbation theory, we decouple the electric fields and analyze the driving forces of ion transport, specifically electromigration and induced electroosmosis within the pore. These processes are described as analytical functions of the interaction aspect ratio, ?, defined as the ratio of the pore radius to the Debye length. Using this parameter, our study (i) describes the interplay between electromigrative and electroosmotic mechanisms that set ionic conductivity, (ii) identifies a dimensionless group of intrinsic electrolyte properties that indicates the predominant driving force, and (iii) provides a qualitative, confinement-dependent perspective on selectivity in ion-conducting membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Integrating computer programs for engineering analysis and design

The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.

Wilhite, A. W.↗
NASA NTRS1976

Space shuttle EVA opportunities

A technology assessment is presented on space extravehicular activities (EVA) that will be possible when the space shuttle orbiter is completed and launched. The use of EVA in payload systems design is discussed. Also discussed is space crew training. The role of EVA in connection with the Large Space Telescope and Skylab are described. The value of EVA in constructing structures in space and orbital assembly is examined. Excellent color illustrations are provided which show the proposed EVA functions that were described.

Bland, D. A., Jr.↗
NASA NTRS1980

Turbine blade structural dynamic analysis

The paper presents structural dynamic analysis and test results for the Space Shuttle Main Engine turbine blades. Athough these blades are designed to avoid coincidence of natural frequencies with harmonic excitation forces, the complexity of the turbine hardware, its nonlinearities and lack of information regarding the forcing function have led to fatigue failures. A comparison of single-blade analysis and test modal frequencies, shapes, and stresses is given; analysis techniques to describe the forcing function, compute dynamic responses, and incorporate the nonlinearities of Coulomb-friction dampers are presented. Recommendations are made for new research to improve forcing function computations and structural damping estimates used in the analysis.

Dickerson, E. O.↗