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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Graphite fiber textile preform/copper matrix composites

Graphite fiber reinforced/copper matrix composites have sufficiently high thermal conduction to make them candidate materials for critical heat transmitting and rejection components. The term textile composites arises because the preform is braided from fiber tows, conferring three-dimensional reinforcement and near net shape. The principal issues investigated in the past two years have centered on developing methods to characterize the preform and fabricated composite and on braidability. It is necessary to have an analytic structural description for both processing and final property modeling. The structure of the true 3-D braids used is complex and has required considerable effort to model. A structural mapping has been developed as a foundation for analytic models for thermal conduction and mechanical properties. The conductivity has contributions both from the copper and the reinforcement. The latter is accomplished by graphitization of the fibers, the higher the amount of graphitization the greater the conduction. This is accompanied by an increase in the fiber modulus, which is desirable from a stiffness point of view but decreases the braidability; the highest conductivity fibers are simply too brittle to be braided. Considerable effort has been expended on determining the optimal braidability--conductivity region. While a number of preforms have been fabricated, one other complication intervenes; graphite and copper are immiscible, resulting in a poor mechanical bond and difficulties in infiltration by molten copper. The approach taken is to utilize a proprietary fiber coating process developed by TRA, of Salt Lake City, Utah, which forms an itermediary bond. A number of preforms have been fabricated from a variety of fiber types and two sets of these have been infiltrated with OFHC copper, one with the TRA coating and one without. Mechanical tests have been performed using a small-scale specimen method and show the coated specimens to have superior mechanical properties. Final batches of preforms, including a finned, near net shape tube, are being fabricated and will be infiltrated before summer.

Gilatovs, G. J.↗
DOE OSTI2026

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗
NASA NTRS1976

Chemistry of primitive solar material

The paper reviews chemical processes that occurred in the cooler outer regions of the primitive solar nebula (PSN) at the time of intimate chemical contact between the preplanetary condensate and the nebular gas. The elemental composition of the PSN is discussed, the 15 most abundant elements in it are listed, and numerical models of it are examined. Various condensation models are described and tested against observed properties of the planets, their satellites, and the asteroids. The chemistry of abundant volatile elements in the PSN is investigated along with stability limits of graphite in a solar-composition gas, regions of dominance of the most abundant carbon-containing gas species in the same gas, and implications of the moon's composition for its origin. Some theories that have been proposed as alternatives to the condensation models are noted.

Barshay, S. S.↗
NASA NTRSDate not supplied

Macro-scale Testing and Micromechanics Modeling of Fracture Behaviors for Boron Carbide Composites with Hierarchical Microstructures

With a unique combination of properties including high hardness, low density, wear and corrosion resistance, thermal stability, high neutron absorption, and semi-conductivity, boron carbide (B4C) is a candidate material for various engineering applications that involve extreme environment. The current applications of boron carbide, however, are limited by its intrinsic brittleness due to its strong covalent bonding. To toughen boron carbide, in this work hierarchical microstructure designs was used to provide multiple toughening mechanisms including crack deflection/bridging, micro-crack toughening, etc. Using field assisted sintering, B4C composites with hierarchical microstructure features including graphite platelets, micron and sub-micron sized TiB2 reinforcements were fabricated. The fracture toughness of fabricated B4C composites were previously measured at micro-scale using micro-indentation followed by post-testing microstructure inspection. However, questions including whether the fracture toughness enhancement measured at micro-scale can translate to macro-scale mechanical properties, and what are the fundamental mechanisms behind observed fracture toughness enhancement, remain to be answered. In this study, the fabricated B4C composites were tested using standardized four-point bending method to obtain fracture toughness at macro-scale. In addition, micromechanics modeling was conducted using MAC/GMC code and crack-band model to study the effect of residual stress and weak interphases on fracture behaviors of B4C composites reinforced with TiB2 particles. Through standardized four-point bending tests, fracture toughness enhancements up to 2.85, 3.32, and 3.65 MPa∙m(exp 1/2) (from 2.38 MPa∙m(exp 1/2)) were achieved for B4C composites with graphite platelets addition (micro/nano B4C), with TiB2 formation (micro B4C-TiB2), and with both graphite and TiB2 addition (micro/nano B4C-TiB2) respectively. Micromechanics modeling indicated that introduction of thermal residual stress and weak interphases caused enhanced micro-cracking behavior and resulted in the observed fracture toughness enhancement. These results furthered understanding about the mechanical behaviors at macro-scale and the mechanisms behind observed fracture toughness enhancement for B4C composites with hierarchical microstructures and can provide reference data for the future design of B4C composites with optimized microstructures for further fracture toughness enhancement.

Boron Carbide↗
NASA NTRS1997

Formation of Carbon Nanotube Based Gears: Quantum Chemistry and Molecular Mechanics Study of the Electrophilic Addition of o-Benzyne to Fullerenes, Graphene, and Nanotubes

Considerable progress has been made in recent years in chemical functionalization of fullerene molecules. In some cases, the predominant reaction products are different from those obtained (using the same reactants) from polycyclic aromatic hydrocarbons (PAHs). One such example is the cycloaddition of o-benzyne to C60. It is well established that benzyne adds across one of the rings in naphthalene, anthracene and other PAHs forming the [2+4] cycloaddition product (benzobicyclo[2.2.2.]-octatriene with naphthalene and triptycene with anthracene). However, Hoke et al demonstrated that the only reaction path for o-benzyne with C60 leads to the [2+2] cycloaddition product in which benzyne adds across one of the interpentagonal bonds (forming a cyclobutene ring in the process). Either reaction product results in a loss of aromaticity and distortion of the PAH or fullerene substrate, and in a loss of strain in the benzyne. It is not clear, however, why different products are preferred in these cases. In the current paper, we consider the stability of benzyne-nanotube adducts and the ability of Brenner's potential energy model to describe the structure and stability of these adducts. The Brenner potential has been widely used for describing diamondoid and graphitic carbon. Recently it has also been used for molecular mechanics and molecular dynamics simulations of fullerenes and nanotubes. However, it has not been tested for the case of functionalized fullerenes (especially with highly strained geometries). We use the Brenner potential for our companion nanogear simulations and believe that it should be calibrated to insure that those simulations are physically reasonable. In the present work, Density Functional theory (DFT) calculations are used to determine the preferred geometric structures and energetics for this calibration. The DFT method is a kind of ab initio quantum chemistry method for determining the electronic structure of molecules. For a given basis set expansion, it is comparable in accuracy to the MP2 method (better than Hartree Fock, but less accurate than more extensive electron correlation methods such as MP4 or CCSD). However, for systems with large numbers of basis functions it more efficient than any other methods that include electron correlation effects. In this presentation we show the results of DFT calculations for the reaction of benzyne with naphthalene, C60, and nanotube models. We compare energies for [2+2] and [2+4] cycloaddition products. The preferred products for the naphthalene and C60 reactions have been determined by experiment and, thus, these cases serve as a validation of our quantum chemical approach. We also compare the DFT and Brenner potential results. Finally we can predict the likelihood of reaction between benzyne and nanotubes.

Jaffe, Richard↗
DOE OSTI2024

Molecular simulation using transfer-learned potentials for the disordered nanoscale structure of nitrogen-doped nanoporous carbons

Machine learning (ML)-based molecular dynamics (MD) simulations of the formation of a class of N-doped nanoporous carbons are performed to assess their disordered partially graphitized nanoscale structure. The study is motivated by the effectiveness of so-called nitrogen assembly carbons (NACs) for catalysis applications. Benchmark simulations for pure-C disordered graphitic systems reveal the importance of reliably capturing the vdW component of the potentials in order to accurately describe the tendency for layering of disordered graphene-like sheets. In our modeling, this is achieved by a transfer learning strategy incorporating features of the energetics from the optB88-vdW DFT functional into potentials initially trained with a less expensive functional, thereby providing a superior description of the pure-C systems. Generation from MD simulations of realistic partially graphitized structures is significantly more challenging for N-doped versus for pure C systems. However, such structures are achieved by a tailored MD simulation protocol mimicking the experimental synthesis process and in particular incorporating an annealing and subsequent quenching stages. Simulated PXRD patterns effectively reproduce the features of experimental observations for NACs, including the appearance of a prominent but broad (002) peak at around 25, and the development of another weaker feature associated with in-layer ordering of mixed C-N graphene-like sheets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Molecular modeling of polymer composite-analyte interactions in electronic nose sensors

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.

NASA Center JPL↗
NASA NTRS2007

Frequency Response of an Aircraft Wing with Discrete Source Damage Using Equivalent Plate Analysis

An equivalent plate procedure is developed to provide a computationally efficient means of matching the stiffness and frequencies of flight vehicle wing structures for prescribed loading conditions. Several new approaches are proposed and studied to match the stiffness and first five natural frequencies of the two reference models with and without damage. One approach divides the candidate reference plate into multiple zones in which stiffness and mass can be varied using a variety of materials including aluminum, graphite-epoxy, and foam-core graphite-epoxy sandwiches. Another approach places point masses along the edge of the stiffness-matched plate to tune the natural frequencies. Both approaches are successful at matching the stiffness and natural frequencies of the reference plates and provide useful insight into determination of crucial features in equivalent plate models of aircraft wing structures.

Krishnamurthy, T.↗
NASA NTRS1974

Measurement of the X-ray emission of the solar atmosphere during a period of low activity

A large-area high-sensitivity X-ray spectrometer has been constructed and used to measure the 1.8- to 5.3-A X-ray emission of the sun under quiescent conditions. The instrument utilizes Bragg reflection from mosaic graphite crystals. The data indicate that the X-ray emission can best be accounted for by a multitemperature model of the solar atmosphere in which both the overall corona and active regions contribute to the X-ray spectrum. Theoretical calculations of the X-ray flux of a hot, optically thin plasma have been used to estimate the solar conditions at the time when the measurements were made.

Wolff, R. S.↗
NASA NTRS1980

Experimental determination of unsteady blade element aerodynamics in cascades. Volume 2: Translation mode cascade

A two dimensional cascade of harmonically oscillating airfoils was designed to model a near tip section from a rotor which was known to have experienced supersonic translational model flutter. This five bladed cascade had a solidity of 1.52 and a setting angle of 0.90 rad. Unique graphite epoxy airfoils were fabricated to achieve the realistic high reduced frequency level of 0.15. The cascade was tested over a range of static pressure ratios approximating the blade element operating conditions of the rotor along a constant speed line which penetrated the flutter boundary. The time steady and time unsteady flow field surrounding the center cascade airfoil were investigated.

Riffel, R. E.↗
NASA NTRS1988

Quantitative non-destructive evaluation of porous composite materials based on ultrasonic wave propagation

Two complementary ultrasonic techniques for characterizing porosity in fiber-reinforced composite laminates are evaluated. Five uniaxial graphite-fiber/epoxy-matrix composites having a range of 1 to 8 percent volume fraction of solid glass inclusions to model porosity were investigated. In one technique, signal loss was measured in transmission mode and slope of attenuation, obtained from the first order coefficient of a two-parameter polynomial fit about the center frequency of the useful bandwidth, was used as the ultrasonic parameter to characterize the porosity. The results of these transmission mode measurements displayed a good correlation between the volume fraction of porosity and the slope of attenuation. Integrated polar backscatter was used as a second ultrasonic parameter for the characterization of the porosity in these samples. A single transducer insonified the samples and measured the resulting backscatter at a polar angle of 30 deg with respect to the normal of the sample surface with the azimuthal angles centered at 0 deg with respect to the fiber orientation (i.e., along the fibers). Integrated polar backscatter also displayed good correlation with the volume fraction of porosity.

Miller, James G.↗
NASA NTRS1988

A precision pointing system for space telescope class optical trackers

This paper reports on the results of a study effort whose main objective was to develop a conceptual design for a space based, large-payload (3000 kg) pointing system capable of both rapid slew maneuvers (0.35 rad/sec-squared) and very stable tracking (1 microrad, 1 sigma, each axis). The key features of the resulting solution are: (1) cross elevation over elevation gimbal system, (2) closed cross elevation gimbal ring, (3) graphite-epoxy structure, (4) two-motor reactionless joint torquers, (5) payload mounted vernier reaction wheel, and (6) gyrostabilized model following control system.

Sevaston, George E.↗
NASA NTRS1986

Factors influencing the ultrasonic stress wave factor evaluation of composite material structures

To demonstrate that the finite-element model can be used to investigate some of the factors influencing the ultrasonic stress wave evaluation of materials, a hypothetical case was studied in which classical vibration theory was used. Vibration analysis and experiments for the undamaged case were conducted on an isotropic aluminum plate and a unidirectional graphite-epoxy plate, using a point source to excite the plates. The finite-element solution correlated within eight percent with the exact method. The frequencies predicted by the finite-element model were observed in the experiments in both plates, although in the composite plate, additional frequencies were observed which could not be accounted for. Damaged isotropic plates were also considered. The effects of increasing damage severity with constant damage area, and increasing damage area with constant severity on the resonant frequencies were analyzed.

Rebello, C. J.↗
NASA NTRS2002

Molecular modeling of polymer composite interactions with analytes in electronic nose sensors for environmental monitoring in International Space Station

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL Electronic Nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings (with no hydrogens). The Dreiding 2.21 force field is used for the polymer and solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4- vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic (ammonia) and organic (methanol, toluene, hydrazine) compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites.

electronic noise environmental monitoring polymer ↗
NASA NTRS1984

Compression failure mechanisms in unidirectional composites

Compression failure mechanisms in unidirectional composites were examined. Possible failure modes of constituent materials are summarized and analytical models for fiber microbuckling are reviewed from a unified viewpoint. Due to deficiencies in available models, a failure model based on nonlinear properties and initial fiber curvature is proposed. The effect of constituent properties on composite compression behavior was experimentally investigated using two different graphite fibers and four different epoxy resins. The predominant microscopic scale failure mode was found to be shear crippling. In a soft resin, shear crippling was in the form of buckling of fibers on a microscopic scale. However, stiff resins failure was characterized by the formation of a kink band. For unidirectional laminates, compressive strength, and compressive modulus to a less extent, were found to increase with increasing magnitude of resin modulus. The change in compressive strength with resin modulus was predicted using the proposed nonlinear model.

Hahn, H. T.↗
NASA NTRS1986

Compression failure mechanisms in unidirectional composites

Compression failure mechanisms in unidirectional composites were examined. Possible failure modes of constituent materials are summarized and analytical models for fiber microbuckling are reviewed from a unified viewpoint. Due to deficiencies in available models, a failure model based on nonlinear properties and initial fiber curvature is proposed. The effect of constituent properties on composite compression behavior was experimentally investigated using two different graphite fibers and four different epoxy resins. The predominant microscopic scale failure mode was found to be shear crippling. In a soft resin, shear crippling was in the form of buckling of fibers on a microscopic scale. However, stiff resins failure was characterized by the formation of a kink band. For unidirectional laminates, compressive strength, and compressive modulus to a less extent, were found to increase with increasing magnitude of resin modulus. The change in compressive strength with resin modulus was predicted using the proposed nonlinear model.

Hahn, H. T.↗
NASA NTRS1987

Estimated impact shock production of N2 and organic compounds on early Titan

The present consideration of Uranus-Neptune planetesimal bombardment of Titan notes that shock-product chemical equilibrium modeling can credit impact energy for the generation of large amounts of N2 and organic compounds. The kinetic inhibition of graphite formation in the shocked gas would have enhanced the yield of radicals and organics, and the resulting carbonaceous soot/condensed hydrocarbon mixture would have settled onto the surface to form a layer with an eventual depth of hundreds of meters. Shock conversion of NH3 into N2 bypasses the difficulties of other N2-production schemes, and is suggested to have been of exceptionally great importance in the atmospheric evolution of Titan.

Jones, Thomas D.↗