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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Linking Lattice Strain and Fractal Dimensions to Non‐monotonic Volume Changes in Irradiated Nuclear Graphite

Graphite's resilience to high temperatures and neutron damage makes it vital for nuclear reactors, yet irradiation alters its microstructure, degrading key properties. We used small- and wide-angle X-ray scattering to study neutron-irradiated fine-grain nuclear graphite (Grade G347A) across varied temperatures and fluences. Results show significant shifts in internal strain and porosity, correlating with radiation-induced volume changes. Notably, porosity volume distribution (fractal dimensions) follows non-monotonic volume changes, suggesting a link to the Weibull distribution of fracture stress.

X-ray scattering↗
NASA NTRS1990

On diamond, graphitic and amorphous carbons in primitive extraterrestrial solar system materials

Carbon is among the most abundant elements in the universe and carbon chemistry in meteorites and comets is an important key to understanding many Solar System and interstellar processes. Yet, the mineralogical properties and interrelations between various structural forms of elemental carbon remain ambiguous. Crystalline elemental carbons include rhombohedral graphite, hexagonal graphite, cubic diamond, hexagonal diamond (i.e., lonsdaleite or carbon-2H) and chaoite. Elemental carbon also occurs as amorphous carbon and poorly graphitized (or turbostratic) carbon but of all the forms of elemental carbon only graphite is stable under physical conditions that prevail in small Solar System bodies and in the interstellar medium. The recent discovery of cubic diamond in carbonaceous chondrites and hexagonal diamond in chondritic interplanetary dust particles (IDPs) have created a renewed interest in the crystalline elemental carbons that were not formed by shock processes on a parent body. Another technique, Raman spectroscopy, confirms a widespread occurrence of disordered graphite in the Allende carbonaceous chondrite and in chondritic IDPs. Elemental carbons have also been identified by their characteristic K-edge features in electron energy loss spectra (EELS). However, the spectroscopic data do not necessarily coincide with those obtained by selected area electron diffraction (SAED). In order to interpret these data in terms of rational crystalline structures, it may be useful to consider the principles underlying electron diffraction and spectroscopic analyses. Electron diffraction depends on electron scattering, on the type of atom and the distance between atoms in a crystal lattice. Spectroscopic data are a function of the type of atom and the energy of bonds between atoms. Also, SAED is a bulk sampling technique when compared to techniques such as Raman spectroscopy or EELS. Thus, it appears that combined analyses provide contradictory results and that amorphous, or short-range ordered, carbon identified by conventional TEM imaging and SAED may show evidence for sp(3) bonds in EELS spectra. It is suggested that complex, nanometer-scale, mineralogical interrelations are common to all elemental carbons irrespective of their origin. The subsequent thermal history, or energy balance, will determine the ultimate microstructure.

Rietmeijer, Frans J. M.↗
DOE OSTI2022

Quantification of Dead Lithium on Graphite Anode under Fast Charging Conditions

A series of computational and experimental studies were conducted to understand the onset of lithium plating and subsequent quantification of dead lithium on graphite electrodes in the design of fast charging batteries. The experiments include titration and relaxation studies for detecting initiation of lithium metal plating for various SOC and C-rates, which are compared against the thermodynamically consistent phase field computational results. The collaborative study on "model graphite electrode" with 2.18 mAh cm-2 nominal capacity at 25 degrees C demonstrates: (1) the macroscopic voltage response during relaxation studies indicate the reintercalation of plated lithium into the graphite anode; (2) for SOC below 60% and low C-Rates, there is no dead lithium; (3) for SOC between 60% to 80%, and C-Rates in the range of 4C-6C show dead lithium both in experiments and simulations; (4) at 100% SOC and 4C-6C rates, large amounts of dead lithium are observed. The study presented here allows us to evaluate the effects of the physical properties of the electrochemical system on plating and stripping kinetics and the amount of dead lithium on graphite electrodes, which determines the cell capacity loss under fast charge.

batteries↗
DOE OSTI2021

Heat-treated glassy carbon under pressure exhibiting superior hardness, strength and elasticity

Glassy carbon (GC) is a type of non-graphitizing disordered carbon material at ambient pressure and high temperatures, which has been widely used due to its excellent mechanical properties. Here we report the changes in the microstructure and mechanical properties of GC treated at high pressures (up to 5 GPa) and high temperatures. The formation of intermediate sp 2 –sp 3 phases is identified at moderate treatment temperatures before the complete graphitization of GC, by analyzing synchrotron X-ray diffraction, Raman spectra, and transmission electron microscopy images. The intermediate metastable carbon materials exhibit superior mechanical properties with hardness reaching up to 10 GPa and compressive strength reaching as high as 2.5 GPa, nearly doubling those of raw GC, and improving elasticity and thermal stability. The synthesis pressure used in this study can be achieved in the industry on a commercial scale, enabling the scalable synthesis of this type of strong, hard, and elastic carbon materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct Evidence of Charge Transfer upon Anion Intercalation in Graphite Cathodes through New Electronic States: An Experimental and Theoretical Study of Hexafluorophosphate

Graphite intercalation compounds continue to be central to technologies for electrochemical energy storage from anodes in established Li-ion batteries to cathodes in beyond Li-ion concepts paired with multivalent anodes. When used as a cathode, graphite intercalates a variety of anions with PF 6 - being among the most common. Paired with Li intercalation at the anode, the corresponding dual carbon battery yields high energy and power densities. Given the available choice of anions as intercalants, it is important to elucidate how the graphite structure accommodates them in order to tailor the molecular species to maximize charge and reversibility. However, the changes in electronic structure of the host graphite lattice upon anion intercalation are poorly understood compared to cations, which represent a fundamentally different reaction. Herein, PF 6 -intercalated graphite has been studied using techniques sensitive to electronic structure, namely, X-ray Raman spectroscopy (XRS), X-ray absorption near-edge spectroscopy (XANES), and X-ray emission spectroscopy (XES). Complementary full-potential, all-electron density functional theory calculations yielded excellent agreement with the spectra, thus providing insight into charge compensation in the graphite lattice. In particular, a pre-$π^*$ feature emerged in XRS/XANES, which is direct evidence of the removal of charge from the host lattice to compensate the intercalated anions, leading to an overall lowering of the Fermi energy level. This is expected to be characteristic of many intercalants in anion-intercalated graphite. The unambiguous identification of the origin of the pre-$π^*$ spectral feature, which is frequently seen in graphitic systems, is of broad interest to the spectroscopy of graphitic systems beyond the practical implications of anion-induced changes in the electronic properties for real devices.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Effect of processing parameters on autoclaved PMR polyimide composites

A study was conducted to determine the effect of processing parameters on the processability and properties of autoclaved fiber reinforced PMR polyimide composites. Composites were fabricated from commercially available graphite fabric and glass fabric PMR polyimide prepreg materials. Process parameters investigated included degree of resin advancement, heating rate, and cure pressure. Composites were inspected for porosity by ultrasonic C scan and photomicrographic examination. Processing characteristics for each set of process parameters and the effect of process parameters on composite mechanical properties at room temperature and 600 F are described.

Vannucci, R. D.↗
NASA NTRS1977

Effect of processing parameters on autoclaved PMR polyimide composites

A study was conducted to determine the effect of processing parameters on the processability and properties of autoclaved fiber reinforced PMR polyimide composites. Composites were fabricated from commercially available graphite fabric and glass fabric PMR polyimide prepreg materials. Process parameters investigated included degree of resin advancement, heating rate, and cure pressure. Composites were inspected for porosity by ultrasonic 'C' scan and photomicrographic examination. Processing characteristics for each set of process parameters and the effect of process parameters on composite mechanical properties at room temperature and 600 F are described.

Vannucci, R. D.↗
NASA NTRS1979

Development and fabrication of bismaleimide-graphite composites

The successful fabrication of high temperature resistant composites depends mainly on the processability of the resin binder matrix. For two new bismaleimide type resins the processing of graphite fabric prepregs to composites is described. One resin coded M 751 has to be processed from N-Methylpyrrolidone, the other resin evaluated is a so-called hot melt solvent-less system. Commercial T300/3000 Graphite fabrics were used as reinforcement. The M 751 - Resin is a press grade material and laminates are therefore moulded in high pressure conditions (400 N/sq cm). The solvent-less resin system H 795 is an autoclave grade material and can be cured at 40 N/sq cm. The cure cycles for both the press grade and the autoclave grade material (Fiberite W 143 fabric prepregs) are provided and the mechanical properties of laminates at low (23 C) and high (232 C) temperatures were measured. For comparison, the neat resin flexural properties are also presented. The water absorption for the neat resins and the graphite fabric laminates after a 1000 hour period was evaluated.

Stenzenberger, H.↗
NASA NTRS1979

Stability of PMR-polyimide monomer solutions

The stability of alcohol solutions of norborneyl capped PMR-polyimide resins was monitored during storage at ambient and subambient temperatures. Chemical changes during storage were determined spectroscopically using nuclear magnetic resonance. Resin processability and cured resin quality were determined by fabrication of unidirectional, graphite fiber composites using aged solutions and testing of selected composite properties. PMR-15 solutions exhibit nominally two weeks of useful life and PMR-2 solutions exhibit nominally two days of useful life at ambient conditions. The limiting factor is precipitation of imide reaction produces from the monomer solutions. Both solutions exhibit substantially longer useful lifetimes in subambient storage. PMR-15 shows no precipitation after several months storage at subambient temperatures. PMR-2 solutions do exhibit precipitates after extended subambient storage, however, the precipitates formed under these conditions can be redissolved. The chemical implications of these observations are discussed.

Lauver, R. W.↗
NASA NTRS1980

Fabrication and evaluation of RX-6450 /NCNS-13P/ composites

The chemistry, processing, and laminate properties of NCNS-13P resin are described. The effect on graphite fiber laminates of temperature, oxidative aging, water absorption, and humidity-temperature aging were determined. Glass laminates were evaluated for the fire resistance and smoke and toxic gas evolution under flaming conditions.

Kray, R. J.↗
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 NTRS1992

Compressive strength of damaged and repaired composite plates

Tests were performed assessing the effectiveness of repair in restoring the mechanical properties of damaged, solid composite plates made of Fiberite T300/976 graphite-epoxy. Some (75%) or all (100%) of the damaged zone was cut out, and the plate was repaired by plugging and patching the hole. The effectiveness of the repair was evaluated by measuring the compressive strengths of undamaged plates, damaged plates with no cutout, damaged plates with a cutout, and plates that had been repaired.

Finn, Scott R.↗
NASA NTRS2004

Soot Nanostructure: Using Fringe Analysis Software on High Resolution Transmission Electron Microscopy of Carbon Soot

Using high resolution transmission electron images of carbon nanotubes and carbon particles, we are able to use image analysis program to determine several carbon fringe properties, including length, separation, curvature and orientation. Results are shown in the form of histograms for each of those quantities. The combination of those measurements can give a better indication of the graphic structure within nanotubes and particles of carbon and can distinguish carbons based upon fringe properties. Carbon with longer, straighter and closer spaced fringes are considered graphite, while amorphous carbon contain shorter, less structured fringes.

King, James D.↗
DOE OSTI2023

Report on initial development of a database of nuclear graphite characteristics based on microstructural characterization

This report outlines the current and future efforts to produce a comprehensive library of microstructures of nuclear graphite and carbon-based materials that are candidate materials for nuclear applications in the United States. This library must contain extensive characterizations of unirradiated graphite materials, a guide to some of the techniques used to characterize graphite, a compendium of characterization data of neutron-irradiated or oxidized material, and a compendium of microstructural information of carbon-based materials. These characterization efforts are being conducted at various length scales to understand these complex materials’ local structure and property relationships. Achieving this goal requires further developing or adapting advanced characterization techniques that capture graphite’s most relevant characteristics. Some of the general objectives of this project are to aid with the material selection, licensing, management, and core assessments of a graphite core by documenting the unirradiated microstructure of relevant grades or by characterizing the evolution of the microstructure under the reactor environment. Moreover, this project aims to provide additional information, guidelines for characterizing graphite, and a protocol to assess a nuclear graphite grade. This report also summarizes some of the initial results and some of the techniques commonly used to characterize nuclear graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Principle in developing novel fluorinated sulfone electrolyte for high voltage lithium-ion batteries

A new class of fluorinated sulfones, β-fluorinated sulfones, were designed and synthesized as electrolyte solvents for high voltage lithium-ion batteries. While the oxidation potential of β-fluorinated sulfones is slightly lower than that of α-fluorinated sulfones, it is still significantly higher than the oxidation potential of regular sulfones, which already possess fairly high anodic stability. However, β-fluorinated sulfones exhibit a significant decrease in reduction potential compared to α-fluorinated sulfones, rendering them more stable towards graphite anodes. Moreover, the reduced lithium solvating power of β-fluorinated sulfones compared to regular sulfones mitigates the transition metal dissolution of cathodes. Taken together, these middle ground properties of β-fluorinated sulfone-based electrolytes enable the very stable long-term cycling of graphite||LiNi 0.6 Co 0.2 Mn 0.2 O 2 full cells. Finally, the outstanding performance of β-fluorinated sulfones designed by applying the “golden middle way” paves a new path for the development of an effective electrolyte system.

25 ENERGY STORAGE↗
DOE OSTI2025

Porosity in nuclear graphite and its impact on nuclear reactor science and criticality safety applications

Porosity in nuclear-grade graphite significantly influences its low-energy neutron scattering, yet its effect on underlying phonon properties remains debated. Here, this work integrates inelastic and small-angle neutron scattering (INS/SANS) experiments, advanced atomistic simulations with a novel machine-learned potential (DeepMD), total cross-section measurements, and neutronics calculations (SCALE, MCNP, OpenMC) to investigate porosity’s impact on neutron thermalization. INS measurements on diverse graphite grades reveal no discernible porosity effect on phonon spectra, which align with crystalline graphite. Conversely, total cross-section data below ≈10 meV show increased scattering attributable to SANS. Our DeepMD simulations demonstrate that realistic micropores do not distort phonon spectra, challenging the assumptions in current ENDF/B-VIII.1 porosity thermal scattering laws (TSLs). These TSLs, based on random atom removal, produce unphysical phonon spectra and inflate inelastic cross-sections. Augmenting a crystalline TSL with an SANS component accurately captures experimental total cross-sections. Neutronics benchmarks (ICSBEP/IRPhE) show ENDF porosity TSLs unphysically increase neutron multiplication factor, keff. Crucially, incorporating SANS physics (NCrystal/OpenMC) indicates accurately modeled porosity negligibly affects keff, reactor physics, or criticality safety.

Critical benchmarks↗