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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multi-Node Program Fuzzing on High Performance Computing Resources

Significant effort is placed on tuning the internal parameters of fuzzers to explore the state space, measured as coverage, of binaries. In this work, we investigate the effects of the external environment on the resulting coverage after fuzzing two binaries with AFL for 24 hours. Parameters such as scaling to multiple nodes, node saturation, and parallel file system type on HPC resources are controlled in order to maximize coverage. It will be shown that employing a parallel file system such as IBM's General Parallel File System offers an advantage for fuzzing operations, since it contains enhancements for performance optimization. When combined with scaling to two and four nodes, while simultaneously restricting the number of coordinated AFL tasks per node on the low end (10-50% of available physical cores), coverage may be enhanced within a shorter period of time. Thus, controlling the external environment is a useful effort.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Certain characteristics and capture regions of nonlinear vibrating systems

Free vibrations of a system and vibrations which are multiples of them in frequency are discussed. The corresponding periodic forced vibrations of the type n/m (n is the number of periods of disturbance between periods of movement and m is the number of periods of movement in one period of disturbance), generated by a harmonic or close to harmonic disturbance, are propagated close to the corresponding curves of the free vibrations and their frequency multiples. It has been proposed that investigation of transitional modes of motion and capture regions be carried out by precise methods in phase space, with the least number of coordinates. Thus, for example, for nonautonomous second order equations (for example, the Duffing equations), in place of three variables (coordinates, velocity, phases), it is proposed to use two: velocity during transition of the coordinate through zero and phase.

Ragulskene, V. L.↗
NASA NTRS1977

Substructure coupling for dynamic analysis and testing

Fixed interface and free interface methods of substructure coupling for dynamic analysis are discussed. Three methods for reducing the number of coordinates required by fixed interface methods are introduced. Matrix ordinary differential equations are employed to improve accuracy in free interface substructure coupling methods.

Craig, R. R., Jr.↗
NASA NTRS1984

A preliminary analysis of flight data from the AFTI/F-16 airplane

Flight test data from the AFTI/F-16 airplane are analyzed. Two flight control system modes (Independent Backup Unit and Standard Normal Mode) are considered. Estimated stability and control derivatives are compared with values from the wind tunnel and F-16A flight tests. Modeling difficulties are shown to arise due to the near-neutral static stability of the airplane and the number of coordinated control surface movements commanded in the Standard Normal Mode.

Batterson, J. G.↗
NASA NTRS1990

Neural controller for adaptive movements with unforeseen payloads

A theory and computer simulation of a neural controller that learns to move and position a link carrying an unforeseen payload accurately are presented. The neural controller learns adaptive dynamic control from its own experience. It does not use information about link mass, link length, or direction of gravity, and it uses only indirect uncalibrated information about payload and actuator limits. Its average positioning accuracy across a large range of payloads after learning is 3 percent of the positioning range. This neural controller can be used as a basis for coordinating any number of sensory inputs with limbs of any number of joints. The feedforward nature of control allows parallel implementation in real time across multiple joints.

Kuperstein, Michael↗
NASA NTRS1993

Nonrecursive formulations of multibody dynamics and concurrent multiprocessing

Since the late 1980's, research in recursive formulations of multibody dynamics has flourished. Historically, much of this research can be traced to applications of low dimensionality in mechanism and vehicle dynamics. Indeed, there is little doubt that recursive order N methods are the method of choice for this class of systems. This approach has the advantage that a minimal number of coordinates are utilized, parallelism can be induced for certain system topologies, and the method is of order N computational cost for systems of N rigid bodies. Despite the fact that many authors have dismissed redundant coordinate formulations as being of order N(exp 3), and hence less attractive than recursive formulations, we present recent research that demonstrates that at least three distinct classes of redundant, nonrecursive multibody formulations consistently achieve order N computational cost for systems of rigid and/or flexible bodies. These formulations are as follows: (1) the preconditioned range space formulation; (2) penalty methods; and (3) augmented Lagrangian methods for nonlinear multibody dynamics. The first method can be traced to its foundation in equality constrained quadratic optimization, while the last two methods have been studied extensively in the context of coercive variational boundary value problems in computational mechanics. Until recently, however, they have not been investigated in the context of multibody simulation, and present theoretical questions unique to nonlinear dynamics. All of these nonrecursive methods have additional advantages with respect to recursive order N methods: (1) the formalisms retain the highly desirable order N computational cost; (2) the techniques are amenable to concurrent simulation strategies; (3) the approaches do not depend upon system topology to induce concurrency; and (4) the methods can be derived to balance the computational load automatically on concurrent multiprocessors. In addition to the presentation of the fundamental formulations, this paper presents new theoretical results regarding the rate of convergence of order N constraint stabilization schemes associated with the newly introduced class of methods.

Kurdila, Andrew J.↗
NASA NTRS2004

Version 8 SBUV Ozone Profile Trends Compared with Trends from a Zonally Averaged Chemical Model

Linear regression trends for the years 1979-2003 were computed using the new Version 8 merged Solar Backscatter Ultraviolet (SBUV) data set of ozone profiles. These trends were compared to trends computed using ozone profiles from the Goddard Space Flight Center (GSFC) zonally averaged coupled model. Observed and modeled annual trends between 50 N and 50 S were a maximum in the higher latitudes of the upper stratosphere, with southern hemisphere (SH) trends greater than northern hemisphere (NH) trends. The observed upper stratospheric maximum annual trend is -5.5 +/- 0.9 % per decade (1 sigma) at 47.5 S and -3.8 +/- 0.5 % per decade at 47.5 N, to be compared with the modeled trends of -4.5 +/- 0.3 % per decade in the SH and -4.0 +/- 0.2% per decade in the NH. Both observed and modeled trends are most negative in winter and least negative in summer, although the modeled seasonal difference is less than observed. Model trends are shown to be greatest in winter due to a repartitioning of chlorine species and the increasing abundance of chlorine with time. The model results show that trend differences can occur depending on whether ozone profiles are in mixing ratio or number density coordinates, and on whether they are recorded on pressure or altitude levels.

Rosenfield, Joan E.↗
NASA NTRS2007

Mars Exploration Rover Pancam Multispectral Imaging of Rocks, Soils, and Dust at Gusev Crater and Meridiani Planum

Multispectral imaging from the Panoramic Camera (Pancam) instruments on the Mars Exploration Rovers Spirit and Opportunity has provided important new insights about the geology and geologic history of the rover landing sites and traverse locations in Gusev crater and Meridiani Planum. Pancam observations from near-UV to near-IR wavelengths provide limited compositional and mineralogic constraints on the presence abundance, and physical properties of ferric- and ferrous-iron bearing minerals in rocks, soils, and dust at both sites. High resolution and stereo morphologic observations have also helped to infer some aspects of the composition of these materials at both sites. Perhaps most importantly, Pancam observations were often efficiently and effectively used to discover and select the relatively small number of places where in situ measurements were performed by the rover instruments, thus supporting and enabling the much more quantitative mineralogic discoveries made using elemental chemistry and mineralogy data. This chapter summarizes the major compositionally- and mineralogically-relevant results at Gusev and Meridiani derived from Pancam observations. Classes of materials encountered in Gusev crater include outcrop rocks, float rocks, cobbles, clasts, soils, dust, rock grindings, rock coatings, windblown drift deposits, and exhumed whitish/yellowish salty soils. Materials studied in Meridiani Planum include sedimentary outcrop rocks, rock rinds, fracture fills, hematite spherules, cobbles, rock fragments, meteorites, soils, and windblown drift deposits. This chapter also previews the results of a number of coordinated observations between Pancam and other rover-based and Mars-orbital instruments that were designed to provide complementary new information and constraints on the mineralogy and physical properties of martian surface materials.

Bell, J. F., III↗
DOE OSTI2020

Single-ion magnetism in the extended solid-state: insights from X-ray absorption and emission spectroscopy

Large single-ion magnetic anisotropy is observed in lithium nitride doped with iron. The iron sites are two-coordinate, putting iron doped lithium nitride amongst a growing number of two coordinate transition metal single-ion magnets (SIMs). Uniquely, the relaxation times to magnetisation reversal are over two orders of magnitude longer in iron doped lithium nitride than other 3d-metal SIMs, and comparable with high-performance lanthanide-based SIMs. To understand the origin of these enhanced magnetic properties a detailed characterisation of electronic structure is presented. Access to dopant electronic structure calls for atomic specific techniques, hence a combination of detailed single-crystal X-ray absorption and emission spectroscopies are applied. Together K-edge, L 2,3 -edge and Kβ X-ray spectroscopies probe local geometry and electronic structure, identifying iron doped lithium nitride to be a prototype, solid-state SIM, clean of stoichiometric vacancies where Fe lattice sites are geometrically equivalent. Extended X-ray absorption fine structure and angular dependent single-crystal X-ray absorption near edge spectroscopy measurements determine Fe I dopant ions to be linearly coordinated, occupying a D 6h symmetry pocket. The dopant engages in strong 3dπ-bonding, resulting in an exceptionally short Fe–N bond length (1.873(7) Å) and rigorous linearity. It is proposed that this structure protects dopant sites from Renner–Teller vibronic coupling and pseudo Jahn–Teller distortions, enhancing magnetic properties with respect to molecular-based linear complexes. The Fe ligand field is quantified by L 2,3 -edge XAS from which the energy reduction of 3d z 2 due to strong 4s mixing is deduced. Quantification of magnetic anisotropy barriers in low concentration dopant sites is inhibited by many established methods, including far-infrared and neutron scattering. We deduce variable temperature L 3 -edge XAS can be applied to quantify the J = 7/2 magnetic anisotropy barrier, 34.80 meV (~280 cm –1 ), that corresponds with Orbach relaxation via the first excited, M J = ±5/2 doublet. The results demonstrate that dopant sites within solid-state host lattices could offer a viable alternative to rare-earth bulk magnets and high-performance SIMs, where the host matrix can be tailored to impose high symmetry and control lattice induced relaxation effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The structure of CaO–MgO–Al 2 O 3 –SiO 2 melts and glasses doped with FeO X –NiO

Neutron and x-ray diffraction measurements have been performed on CaO–MgO–Al 2 O 3 –SiO 2 (CMAS) glasses doped with NiO–Fe X O at room temperature, along with x-ray measurements on aerodynamically levitated liquids at ≥2000 K. The disordered structures have been modeled using empirical potential structure refinement to investigate the relation between the aluminosilicate network and the modifying cations. The SiO 4 and AlO 4 tetrahedra are found to have wider Si–O and Al–O bond distance distributions in the glass, and the first Ca–O n coordination shell is highly distorted, redistributing different populations of long and short bonds between the liquid and the glass. The addition of Fe and Ni at low aluminosilicate content increases the number of free oxygens not bonded to AlO 4 or SiO 4 . Mg–O and Fe–O are both found to be predominantly fourfold and fivefold in the liquid and glassy states. Despite these low coordination numbers, their bond angle distributions indicate that they are predominantly in nontetrahedral-type geometries, with ferrous and ferric iron possessing similar coordination environments. The Ca–O and Mg–O average coordination numbers and enthalpies of solution are consistent with their higher reactivity within relatively acidic aluminosilicate melts.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Application of component mode synthesis in structural dynamics

The principal analytical techniques used for component mode synthesis (CMS) of undamped systems and their application to structural dynamics are discussed. In the CMS, a system is divided into components or substructures, and for each of these components, the number of degrees of freedom is reduced by expressing the physical coordinates in terms of a reduced set of component modal coordinates. Among a number of component modes, a new form of component mode, called an applied force attachment mode, is described. Consideration is given to literature studies of damped structures and recent combined analytical/experimental studies.

Craig, R. R.↗
DOE OSTI2024

Decoding Active Sites for Highly Efficient Semihydrogenation of Acetylene in Palladium–Copper Nanoalloys

Accurately decoding the three-dimensional atomic structure of surface active sites is essential yet challenging for a rational catalyst design. Here, we used comprehensive techniques combining the pair distribution function and reverse Monte Carlo simulation to reveal the surficial distribution of Pd active sites and adjacent coordination environment in palladium-copper nanoalloys. After the fine-tuning of the atomic arrangement, excellent catalytic performance with 98% ethylene selectivity at complete acetylene conversion was obtained in the Pd 34 Cu 66 nanocatalysts, outperforming most of the reported advanced catalysts. Further, t he quantitative deciphering shows a large number of active sites with a Pd-Pd coordination number of 3 distributed on the surface of Pd 34 Cu 66 nanoalloys, which play a decisive role in highly efficient semihydrogenation. This finding not only opens the way for guiding the precise design of bimetal nanocatalysts from atomic-level insight but also provides a method to resolve the spatial structure of active sites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

DFT-based investigation of solvation of Nd(III)/Yb(III) cations in room-temperature ionic-liquid

We report a DFT study on the solvation of bare rare-earth (RE) cations [Nd(III) and Yb(III)] in the room-temperature ionic-liquid (RTIL) based on 1,3-dimethyl-imidazolium + , PF 6 - , [MMI][PF 6 ]. In the present article, we aim to investigate whether the chosen RTIL can preferentially solvate any of the RE cations under study. First, the RTIL binding to the RE cation is studied in the gas phase, and then explored with continuum solvation model employing RTIL parameters. First, we considered the formation of the first solvation shell, where the PF 6 - anions directly bond with the Ln(III) cation. We then further surrounded the first solvation shell with [MMI]+ cations to form the second solvation shell. The stability of PF 6 - coordinated complexes is studied by calculating the binding energy values. The number of PF 6 - anions for both Ln(III) cations starts with three ligands and goes until the maximum binding energy in the RTIL medium is reached. The coordination number and binding modes of PF 6 - depend on the size of the RE cation. Comparing the binding energy values between the RE cations for the first solvation shell complexes, it is noticed that Yb-complexes have relatively greater binding energy than Nd-complexes. We have further performed a Boltzmann population analysis to find out the most dominant conformer among each category of PF 6 - coordinated complexes. A study using Natural Population Analysis shows that after complexation with PF 6 - the charge on the Yb-centers lower to a greater extent than Nd-centers, implying stronger bonding between Yb and PF 6 - , which is in harmony with the binding energy analysis. Overall, the computational investigation provides an in-depth understanding of the complexation phenomena of RE cations in RTIL, which can be useful for the practical separation of RE cations using RTIL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Optimization of the generator coordinate method with machine-learning techniques for nuclear spectra and neutrinoless double- β decay: Ridge regression for nuclei with axial deformation

The generator coordinate method (GCM) is an important tool of choice for modeling large-amplitude collective motion in atomic nuclei. The computational complexity of the GCM increases rapidly with the number of collective coordinates. It imposes a strong restriction on the applicability of the method. In this work, we propose a subspace-reduction algorithm that employs optimal statistical ML models as surrogates for exact quantum-number projection calculations for norm and Hamiltonian kernels. The model space of the original GCM is reduced to a subspace relevant for nuclear low energy spectra and the NME of ground state to ground state 0νββ decay based on the orthogonality condition (OC) and the energy-transition-orthogonality procedure (ENTROP), respectively. For simplicity, the polynomial ridge regression (RR) algorithm is used to learn the norm and Hamiltonian kernels of axially deformed configurations. The efficiency and accuracy of this algorithm are illustrated for 76 Ge and 76 Se by comparing results obtained using the optimal RR models to direct GCM calculations. The low-lying energy spectra of 76 Ge and 76 Se, as well as the 0νββ-decay NME between their ground states, are computed. Furthermore, the results show that the performance of the GCM+OC/ENTROP+RR is more robust than that of the GCM+RR alone, and the former can reproduce the results of the original GCM calculation accurately with a significantly reduced computational cost.

59 ≤ A ≤ 89↗
DOE OSTI2022

The Dependence of Olefin Hydrogenation and Isomerization Rates on Zirconium Metal–Organic Framework Structure

Zirconium metal–organic frameworks (Zr-MOFs) are a structurally diverse and well-defined class of materials studied in heterogeneous catalysis. Previously, we showed that partial dehydration of the Zr 6 O 8 node in NU-1000 results in heterolytic H 2 cleavage over adjacent Lewis acid and base sites, leading to catalytic conversion of 1-butene. In this work, given the ubiquity of the Zr 6 O 8 node as a secondary building unit (SBU) in Zr-MOFs, with many different potential MOF topologies and capping ligands surrounding the cluster, we study the influence of thermal pretreatments and MOF topology (MOF-808, NU-1000, UiO-66, and NU-1000-NDC) on the activity of the Zr 6 O 8 cluster for H 2 activation and 1-butene hydrogenation and isomerization. Diffuse reflectance IR in the presence of H 2 and pyridine shows that both thermal pretreatment and MOF topology affect the Brønsted acidity of protons generated from H 2 activation and their resulting activity for olefin conversion. High isomerization activity of dehydrated NU-1000 is correlated with the formation of μ 3 OH species after H 2 activation. Additionally, catalytic studies show that the geometry of open coordination sites on individual Zr 6 O 8 nodes influences butene hydrogenation. For this reason, MOF-808 gives anomalously low hydrogenation activity, despite its relatively high total number of open coordination sites, as calculated either from its crystal structure or from NH 3 adsorption. Furthermore, these results reiterate the importance of pretreatment in defining MOF catalytic activity and demonstrate that MOF topology, outside of simply affecting node accessibility, influences reactivity at individual nodes.

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

Orbital design strategy for domestic communication satellite systems.

Review of some of the considerations pertinent to efficient orbit utilization in the design of domestic communications satellite systems. A strategy is developed to efficiently locate a heterogeneous system of satellites within the available arc and provide room for future growth. A practical design is illustrated, using a computer simulation model, for the placement of 25 satellites within 73% of the available arc employing frequency and polarization coordination techniques. A number of widely variable factors that influence satellite spacing are examined. These factors include such critical system elements as telephony and television interference noise limits, frequency plan coordination, polarization plan coordination, ground antenna diameter, signal protection ratio, and satellite station keeping.

Ramji, S.↗
NASA NTRS1974

SICLOPS - A system of computer programs for rectified mapping of airborne scanner imagery

This paper describes SICLOPS, a system of computer programs, which has been developed to perform geometrically corrected line-by-line mapping of airborne multispectral scanner data to ground coordinates and to estimate ground areas. As inputs, SICLOPS accepts aircraft attitude and positional information furnished by ancillary aircraft equipment, plus ground truth information giving the location, in map grid coordinates, of a number of recognizable landmarks on the ground. The geometric correction and mapping procedure locates the scan lines, or the pixels on each line, in terms of map grid coordinates. The area estimation procedure gives ground area for each pixel or for a predesignated parcel specified in map grid coordinates. The results of exercising the system with simulated data showed the uncorrected video and corrected imagery and produced area estimates accurate to better than 99.7%. Real input data, though prepared, have not yet been processed by the system.

Spencer, M. M.↗
NASA NTRS1985

Government-to-government cooperation in space station development

A memoranda of understanding was recently signed between the United States (NASA) and three international Space Station partners - Canada, European Space Agency (ESA), and Japan. The international partners are performing parallel Phase B preliminary design studies, concurrent with the U.S., on their proposed elements/systems for possible integration and operation with the U.S. Space Station System complex. During the 21-month Space Station Phase B study, a large amount of technical interface data will have to be transferred between the U.S. and the international partners. Scheduled bilateral technical coordination meetings will also be held. The coordination and large number of interfaces required to integrate the international requirements into the Space Station require a clean interface management organizational structure and operation procedures to accomplish the integration task. The international coordination management organizational structure, management tools, and communications network are discussed including the proposed international elements/systems being studied by the international partners.

Nassiff, S. H.↗