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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Unexpected compositional and structural modification of CoPt 3 nanoparticles by extensive surface purification

We combined synchrotron small angle X-ray scattering, X-ray fluorescence and extended X-ray absorption fine structure spectroscopy to probe the structure of chemically synthesized CoPt 3 nanoparticles (NPs) after ligand removal via the commonly accepted solvent/nonsolvent approach. We showed that the improved catalytic activity of extensively purified NPs could not be explained only in terms of a “cleaner” surface. We found that extensive surface purification results in the substantial leaching of the Co atoms from the chemically synthesized CoPt 3 NPs transforming them into CoPt 3 /Pt core/shell structures with an unexpectedly thick (~0.5 nm) Pt shell. We indicated that the improved catalytic activity of extensively purified NPs in octyne hydrogenation reaction can be explained by the formation of CoPt 3 /Pt core/shell structures. Also, we demonstrated that drastic compositional and structural transformation of water transferred CoPt 3 NPs was rather a result of extensive removal of native ligands via a solvent/nonsolvent approach than leaching of cobalt atoms in aqueous media. We expect that these findings can be relevant to other transition metal based multicomponent NPs.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strain rate dependent nanostructure of hydrogels with reversible hydrophobic associations during uniaxial extension

An energy dissipation mechanism during deformation is required to impart toughness to hydrogels. Here we describe how in situ small angle X-ray scattering (SAXS) provides insight into possible energy dissipation mechanisms for a tough hydrogel based on an amphiphilic copolymer where nanoscale associations of the hydrophobic moieties act as effective crosslinks. The mechanical properties of the hydrogels are intimately coupled with the nanostructure that provides reversible crosslinks and evolves during deformation. As the extension rate increases, more mechanical energy is dissipated from rearrangements of the crosslinks. The scattering is consistent with hopping of hydrophobes between the nanoscale aggregates as the primary rearrangement mechanism. This rearrangement changes the network conformation that leads to non-affine deformation, where the change in the nanostructure dimension from SAXS is less than 15% of the total macroscopic strain. These nanostructure changes are rate dependent and correlated with the relaxation time of the hydrogel. At low strain rate (0.15% s -1 ), no significant change of the nanostructure was observed, whereas at higher strain rates (1.5% s -1 and 8.4% s -1 ) significant nanostructure anisotropy occurred during extension. These differences are attributed to the ability for the network chains to rearrange on the time scale of the deformation; when the characteristic time for extension is longer than the average segmental relaxation time, no significant change in nanostructure occurs on uniaxial extension. These results illustrate the importance of strain rate in the mechanical characterization and consideration of relaxation time in the design of tough hydrogels with reversible crosslinks.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A modular and extensible CHARMM-compatible model for all-atom simulation of polypeptoids

Peptoids (N-substituted glycines) are a class of sequence-defined synthetic peptidomimetic polymers with applications including drug delivery, catalysis, and biomimicry. Classical molecular simulations have been used to predict and understand the conformational dynamics of single chains and their self-assembly into morphologies including sheets, tubes, spheres, and fibrils. The CGenFF-NTOID model based on the CHARMM General Force Field has demonstrated success in accurate all-atom molecular modeling of peptoid structure and thermodynamics. Extension of this force field to new peptoid side chains has historically required reparameterization of side chain bonded interactions against ab initio data. This fitting protocol improves the accuracy of the force field but is also burdensome and precludes modular extensibility of the model to arbitrary peptoid sequences. In this work, we develop and demonstrate a Modular Side Chain CGenFF-NTOID (MoSiC-CGenFF-NTOID) as an extension of CGenFF-NTOID employing a modular decomposition of the peptoid backbone and side chain parameterizations, wherein arbitrary side chains within the large family of substituted methyl groups (i.e., –CH 3 , –CH 2 R, –CHRR', and –CRR'R") are directly ported from CGenFF. We validate this approach against ab initio calculations and experimental data to develop a MoSiC-CGenFF-NTOID model for all 20 natural amino acid side chains along with 13 commonly used synthetic side chains and present an extensible paradigm to efficiently determine whether a novel side chain can be directly incorporated into the model or whether refitting of the CGenFF parameters is warranted. We make the model freely available to the community along with a tool to perform automated initial structure generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Tracking the spatial and temporal links between late Cenozoic extension and magmatism in the Death Valley region (California, USA)

The relationship between late Cenozoic magmatism and extension in the central Basin and Range province (western United States) is complex, necessitating high-precision geochronology to understand its spatiotemporal connections. In the Death Valley region (California), the lack of high-precision U-Pb zircon ages has limited our understanding of the timing of pluton formation and its links to regional extension. We present new high-precision chemical abrasion-isotope dilution-thermal ionization mass spectrometry 206 Pb/ 238 U zircon ages and trace element analyses for eight Death Valley plutons. Our findings reveal three distinct phases of intrusive magmatism: (1) emplacement of shallow rapakivi granites at 13.2 Ma, (2) construction of the mid-crustal Black Mountains intrusive complex at 11.3 Ma, and (3) late emplacement of shallow, compositionally diverse intrusions at 8.2 Ma. A gap in zircon crystallization between 10 Ma and 8.2 Ma coincides with exhumation of the Black Mountains and a transition from sill to dike emplacement. The dominance of rapakivi granites in the Death Valley region, which is rare among Cenozoic granitoids, is likely a result of rapid crustal extension that induces adiabatic decompression. A comparison of the timing of volcanism, plutonism, and tectonic events in Death Valley reveals that intrusive magmatism closely tracks the locus of extension, underscoring the plutonic record as a vital link for understanding regional tectonics and changes in plate boundary dynamics during this period.

58 GEOSCIENCES↗
NASA NTRS1981

Torque-wrench extension

Torque-wrench extension makes it easy to install and remove fasteners that are beyond reach of typical wrenches or are located in narrow spaces that prevent full travel of wrench handle. At same time, tool reads applied torque accurately. Wrench drive system, for torques up to 125 inch-pounds, uses 2 standard drive-socket extensions in aluminum frame. Extensions are connected to bevel gear that turns another bevel gear. Gears produce 1:1 turn ratio through 90 degree translation of axis of rotation. Output bevel has short extension that is used to attach 1/4-inch drive socket.

Peterson, D. H.↗
NASA NTRS1986

Nozzle Extension for Safety Air Gun

New nozzle-extension design overcomes problems and incorporates original commercial nozzle, retaining intrinsic safety features. Components include extension tube, length of which made to suit application; adaptor fitting, and nozzle adaptor repinned to maintain original safety features. Design moves conical airstream to end of extension to blow machine chips away from operator. Nozzle-extension modification allows safe and efficient operation of machine tools while maintaining integrity of orginial safety-air-gun design.

Zumbrun, H. N.↗
NASA NTRS1986

A study of tectonic activity in the Basin-Range Province and on the San Andreas Fault. No. 3: Kinematics of Great Basin intraplate extension from earthquake, geodetic and geologic information

Strain rates assessed from brittle fracture, associated with earthquakes, and total brittle-ductile deformation measured from geodetic data were compared to paleostrain from Quaternary geology for the intraplate Great Basin of the western United States. These data provide an assessment of the kinematics and mode of lithospheric extension that the western U.S. Cordillera has experienced in the last 5 to 10 million years. Strain and deformation rates were determined by the seismic moment tensor method using historic seismicity and fault plane solutions. Contemporary deformation of the Great Basin occurs principally along the active seismic zones. The earthquake related strain shows that the Great Basin is characterized by regional E-W extension at 8.4 mm/a in the north that diminishes to NW-SE extension of 3.5 mm/a in the south. Zones of maximum extension correspond to belts of shallow crust, high heat flow, and Quaternary basaltic volcanism, suggesting that these parameters are related through an effect such as a stress relaxation allowing bouyant uplift and ascension of magmas.

Eddington, P. K.↗
NASA NTRS1985

Approach for service life extension of explosive devices for aircraft escape systems

Service life extension of explosive devices used in aircraft escape systems can achieve considerable savings. An overall approach is needed to challenge the logic of explosive component service extension from design to removal from service for evaluation. The purpose of the effort described in this paper was to develop a service-extension approach on explosive devices used in aircraft systems, supported by actual testing of representative candidate devices, to evaluate quantitatively the effects of service, age, and degradation, and allow responsible, conservative service life determinations. Evaluated were five explosive components: rigid and flexible explosive transfer lines, one-way transfers, flexible linear shaped charges, and initiation handles. The service extension approach generated in this effort is summarized by eight recommendations.

Bement, L. J.↗
NASA NTRS1991

Graben and extension in northern Tharsis, Mars

A morphometric analysis of north-south trending graben at 35 deg N in northern Tharsis is used to provide the first quantitative measurements of crustal extension in and strain for areas of the Martian crust that have undergone both extreme and mild deformation. These estimates also demonstrate the viability of the Viking data for making such quantitative assessment. Graben in the region accommodate about 8 km of post Early Amazonian east-west extension. This extension corresponds to a net regional strain of 0.45-0.61 percent; local strains vary from less than 1 percent to 5 percent. Extension is nonuniform and localized near 110 deg (south of Alba Patera and north of Ceraunius Fossae) because of reactivation of preexisting fractures in underlying basement and possibly due to superposition of stress fields from Tharsis and Alba Patera. A major mechanical discontinuity in the shallow crust, probably representing the base of or a strength contrast within the megaregolith, is observed. It occurs at a depth of 2 km on the profile flanks and is depressed to about 7.5 km near 110 deg due to loading of the crust by the volcano.

Plescia, J. B.↗
NASA NTRS2008

Small-Body Extensions for the Satellite Orbit Analysis Program (SOAP)

An extension to the SOAP software allows users to work with tri-axial ellipsoid-based representations of planetary bodies, primarily for working with small, natural satellites, asteroids, and comets. SOAP is a widely used tool for the visualization and analysis of space missions. The small body extension provides the same visualization and analysis constructs for use with small bodies. These constructs allow the user to characterize satellite path and instrument cover information for small bodies in both 3D display and numerical output formats. Tri-axial ellipsoids are geometric shapes the diameters of which are different in each of three principal x, y, and z dimensions. This construct provides a better approximation than using spheres or oblate spheroids (ellipsoids comprising two common equatorial diameters as a distinct polar diameter). However, the tri-axial ellipsoid is considerably more difficult to work with from a modeling perspective. In addition, the SOAP small-body extensions allow the user to actually employ a plate model for highly irregular surfaces. Both tri-axial ellipsoids and plate models can be assigned to coordinate frames, thus allowing for the modeling of arbitrary changes to body orientation. A variety of features have been extended to support tri-axial ellipsoids, including the computation and display of the spacecraft sub-orbital point, ground trace, instrument footprints, and swathes. Displays of 3D instrument volumes can be shown interacting with the ellipsoids. Longitude/latitude grids, contour plots, and texture maps can be displayed on the ellipsoids using a variety of projections. The distance along an arbitrary line of sight can be computed between the spacecraft and the ellipsoid, and the coordinates of that intersection can be plotted as a function of time. The small-body extension supports the same visual and analytical constructs that are supported for spheres and oblate spheroids in SOAP making the implementation of the more complex algorithms largely transparent to the user.

Carnright, Robert↗
NASA NTRS2005

ANTLR Tree Grammar Generator and Extensions

A computer program implements two extensions of ANTLR (Another Tool for Language Recognition), which is a set of software tools for translating source codes between different computing languages. ANTLR supports predicated- LL(k) lexer and parser grammars, a notation for annotating parser grammars to direct tree construction, and predicated tree grammars. [ LL(k) signifies left-right, leftmost derivation with k tokens of look-ahead, referring to certain characteristics of a grammar.] One of the extensions is a syntax for tree transformations. The other extension is the generation of tree grammars from annotated parser or input tree grammars. These extensions can simplify the process of generating source-to-source language translators and they make possible an approach, called "polyphase parsing," to translation between computing languages. The typical approach to translator development is to identify high-level semantic constructs such as "expressions," "declarations," and "definitions" as fundamental building blocks in the grammar specification used for language recognition. The polyphase approach is to lump ambiguous syntactic constructs during parsing and then disambiguate the alternatives in subsequent tree transformation passes. Polyphase parsing is believed to be useful for generating efficient recognizers for C++ and other languages that, like C++, have significant ambiguities.

Craymer, Loring↗
NASA NTRS2011

Solid Propulsion Systems, Subsystems, and Components Service Life Extension

The service life extension of solid propulsion systems, subsystems, and components will be discussed based on the service life extension of the Space Transportation System Reusable Solid Rocket Motor (RSRM) and Booster Separation Motors (BSM). The RSRM is certified for an age life of five years. In the aftermath of the Columbia accident there were a number of motors that were approaching the end of their five year service life certification. The RSRM Project initiated an assessment to determine if the service life of these motors could be extended. With the advent of the Constellation Program, a flight test was proposed that would utilize one of the RSRMs which had been returned from the launch site due to the expiration of its five year service life certification and twelve surplus Chemical Systems Division BSMs which had exceeded their eight year service life. The RSRM age life tracking philosophy which establishes when the clock starts for age life tracking will be described. The role of the following activities in service life extension will be discussed: subscale testing, accelerated aging, dissecting full scale aged hardware, static testing full scale aged motors, data mining industry data, and using the fleet leader approach. The service life certification and extension of the BSMs will also be presented.

Hundley, Nedra H.↗
NASA NTRS2015

Fabrication and Testing of Low Cost 2D Carbon-Carbon Nozzle Extensions at NASA/MSFC

Subscale liquid engine tests were conducted at NASA/MSFC using a 1.2 Klbf engine with liquid oxygen (LOX) and gaseous hydrogen. Testing was performed for main-stage durations ranging from 10 to 160 seconds at a chamber pressure of 550 psia and a mixture ratio of 5.7. Operating the engine in this manner demonstrated a new and affordable test capability for evaluating subscale nozzles by exposing them to long duration tests. A series of 2D C-C nozzle extensions were manufactured, oxidation protection applied and then tested on a liquid engine test facility at NASA/MSFC. The C-C nozzle extensions had oxidation protection applied using three very distinct methods with a wide range of costs and process times: SiC via Polymer Impregnation & Pyrolysis (PIP), Air Plasma Spray (APS) and Melt Infiltration. The tested extensions were about 6" long with an exit plane ID of about 6.6". The test results, material properties and performance of the 2D C-C extensions and attachment features will be discussed.

Greene, Sandra Elam↗
NASA NTRS2015

High-Melt Carbon-Carbon Coating for Nozzle Extensions

Carbon-Carbon Advanced Technologies, Inc. (C-CAT), has developed a high-melt coating for use in nozzle extensions in next-generation spacecraft. The coating is composed primarily of carbon-carbon, a carbon-fiber and carbon-matrix composite material that has gained a spaceworthy reputation due to its ability to withstand ultrahigh temperatures. C-CAT's high-melt coating embeds hafnium carbide (HfC) and zirconium diboride (ZrB2) within the outer layers of a carbon-carbon structure. The coating demonstrated enhanced high-temperature durability and suffered no erosion during a test in NASA's Arc Jet Complex. (Test parameters: stagnation heat flux=198 BTD/sq ft-sec; pressure=.265 atm; temperature=3,100 F; four cycles totaling 28 minutes) In Phase I of the project, C-CAT successfully demonstrated large-scale manufacturability with a 40-inch cylinder representing the end of a nozzle extension and a 16-inch flanged cylinder representing the attach flange of a nozzle extension. These demonstrators were manufactured without spalling or delaminations. In Phase II, C-CAT worked with engine designers to develop a nozzle extension stub skirt interfaced with an Aerojet Rocketdyne RL10 engine. All objectives for Phase II were successfully met. Additional nonengine applications for the coating include thermal protection systems (TPS) for next-generation spacecraft and hypersonic aircraft.

Thompson, James↗
DOE OSTI2019

Systems and methods for miniaturized drawbar extension springs

Extension springs that can be manufactured to a small size with a precise free length are described herein. An extension spring comprises a first drawbar member and a second drawbar member that extend along a same direction. The extension spring further comprises a compression spring coil that surrounds respective portions of the draw bar members. At either end of the spring coil are positioned end caps that surround the drawbar members. The end caps provide flat surfaces on which the ends of the spring coil rest in a resting position of the extension spring. The end caps are held against bent ends of arms of the drawbar members by tension of the spring coil. When the drawbar members are drawn apart from one another, the end caps compress the spring coil. Compression of the spring coil causes forces that resist the motion of the drawbar members apart from one another.

42 ENGINEERING↗
DOE OSTI2017

Extension of the Kohn-Sham formulation of density functional theory to finite temperature

Based on Mermin's extension of the Hohenberg and Kohn theorems to non-zero temperature, the Kohn-Sham formulation of density functional theory (KS-DFT) is generalized to finite temperature. Here, we show that present formulations are inconsistent with Mermin's functional containing expressions, in particular describing the Coulomb energy, that defy derivation and are even in violation of rules of logical inference. More; current methodology is in violation of fundamental laws of both quantum and classical mechanics. Based on this feature, we demonstrate the impossibility of extending the KS formalism to finite temperature through the self-consistent solutions of the single-particle Schrödinger equation of T>0. Guided by the form of Mermin's functional that depends on the eigenstates of a Hamiltonian, determined at T>0 we base our extension of KS-DFT on the determination of the excited states of a non-interacting system at the zero of temperature. The resulting formulation is consistent with that of Mermin constructing the free energy at T>0 in terms of the excited states of a non-interacting Hamiltonian (system) that, within the KS formalism, are described by Slater determinants. To determine the excited states at T=0 use is made of the extension of the Hohenberg and Kohn theorems to excited states presented in previous work applied here to a non-interacting collection of replicas of a non-interacting N-particle system, whose ground state density is taken to match that of K non-interacting replicas of an interacting N-particle system at T>0. The formalism allows for an ever denser population of the excitation spectrum of a Hamiltonian, within the KS approximation. The form of the auxiliary potential, (Kohn-Sham potential), is formally identical to that in the ground state formalism with the contribution of the Coulomb energy provided by the derivative of the Coulomb energy in all excited states taken into account. Once the excited states are determined, the minimum of the free energy within the KS formalism follows immediately in the form of Mermin's functional, but with the exact excited states in that functional represented by Slater determinants obtained through self-consistency conditions at the zero of temperature. Lastly, it is emphasized that, in departure from all existing formulations, no self-consistency conditions are implemented at finite T; as we show, in fact, such formulations are rigorously blocked.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

A Fast Algorithm for the Convolution of Functions with Compact Support Using Fourier Extensions

In this paper, we present a new algorithm for computing the convolution of two compactly supported functions. The algorithm approximates the functions to be convolved using Fourier extensions and then uses the fast Fourier transform to efficiently compute Fourier extension approximations to the pieces of the result. Finally, the complexity of the algorithm is O(N(log N) 2 ), where N is the number of degrees of freedom used in each of the Fourier extensions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Adapting Extension and Outreach Content to Audiences' Educational Interests

For various, largely unknown reasons, decision makers do not have equal interest in all Extension and outreach topics pertinent to a particular concept. This situation hampers Extension's ability to effectively deliver information and efficiently allocate limited resources. Using survey data, we identified heterogeneous preference for various topics related to the concept of woody bioenergy, our case study subject, and built profiles of forestland owners who expressed interest in topics that received above-average and below-average preference rates. Here, given our results, we argue for using this approach in objectively ranking audiences' educational interests in various forest and nonforest products and services and subsequently allocating time, space, and other Extension resources to the topics of interest.

99 GENERAL AND MISCELLANEOUS↗