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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 OSTI2022

Effect of microstructure and temperature on nuclear graphite oxidation using the 3D Random Pore Model

This work compared the 3D Random Pore Model (3D-RPM) with experimental and characterization data to systematically study the effect of nuclear graphite microstructure and air oxidation temperature. It is well known that oxidation-induced weight loss at elevated temperatures degrades graphite structure and properties; however, a fundamental understanding of the role of graphite microstructure is still unclear. In this work, three diverse grades of nuclear graphite—IG-110, NBG-18, and PCEA—were examined and tested at air oxidation temperatures of 600, 650, 700, and 750 °C following ASTM D7542. Here, the 3D-RPM reproduced the microstructure and temperature dependence of mass loss curves for these grades. For the first time, measurements and modeling were combined to show how bulk density and the amount and spatial distribution of open and closed porosity affects oxidation. IG-110 was less dense and had an open pore network that is finer and more uniformly spread, and showed fastest oxidation. PCEA porosity was less uniform and showed less oxidation, while NBG-18 was more dense, had the least fine and uniform porosity, and showed the slowest oxidation. In general, oxidation proceeds faster if open porosity is more uniformly distributed and can incrementally access closed pore surface area with more ease.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Modeling and Testing of the Viscoelastic Properties of a Graphite Nanoplatelet/Epoxy Composite

In order to facilitate the interpretation of experimental data, a micromechanical modeling procedure is developed to predict the viscoelastic properties of a graphite nanoplatelet/epoxy composite as a function of volume fraction and nanoplatelet diameter. The predicted storage and loss moduli for the composite are compared to measured values from the same material using three test methods; Dynamical Mechanical Analysis, nanoindentation, and quasi-static tensile tests. In most cases, the model and experiments indicate that for increasing volume fractions of nanoplatelets, both the storage and loss moduli increase. Also, the results indicate that for nanoplatelet sizes above 15 microns, nanoindentation is capable of measuring properties of individual constituents of a composite system. Comparison of the predicted values to the measured data helps illustrate the relative similarities and differences between the bulk and local measurement techniques.

Odegard, Gregory M.↗
DOE OSTI2025

Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery

The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.

25 ENERGY STORAGE↗
DOE OSTI2024

Quantifying the Temperature Dependence of the Multi-Species, Multi-Reaction Model. Part 1: Parameterization for a Meso-Carbon Micro-Bead Graphite

In this work, the temperature impact on the Multi-Species, Multi-Reaction (MSMR) model is studied. This is accomplished by acquiring data from slow rate lithiation and delithiation of a meso-carbon micro-bead (MCMB) graphite. The MSMR model is used to simulate linear-sweep voltammetry data of a porous electrode composed of graphite, and because the electrode is close to a state of dynamic equilibrium, the peaks in the differential voltage spectroscopy plot can be analyzed. Through this analysis, the temperature impact on the total fraction of available host sites in a particular MSMR gallery (X j ), the impact on the reference potential (U° j ), and the impact on the parameter detailing the deviation from Nernstian behavior ( ω j ) can be found. This is the first time the temperature dependence of the MSMR parameters have been experimentally analyzed. In Part 2, the impact of the temperature dependence of the MSMR parameters on the entropy coefficient of an intercalation material will be studied.

Paul, Abigail (ORCID:0000000172892069)↗
NASA NTRS1978

16-38 micron spectroscopy of NGC 7027

Medium-resolution spectroscopy of the planetary nebula NGC 7027 over the wavelength range from 16 to 38 microns is reported which was performed from NASA's Kuiper Airborne Observatory. It is found that within the errors, the spectrum is smooth and has the shape of a dilute 130-K blackbody but falls below that curve at the longer wavelengths. The absence of two theoretically predicted features in the 16-40-micron band, a forbidden fine-structure line of O IV at 25.91 microns and a broad emission feature in the 22-35-micron region due to carbonate materials, is discussed; a lower limit of 25,000 per cu cm is placed on the electron density in the ionized region. A simple model involving small graphite grains at a temperature around 90 K is proposed to explain the observed featureless continuum. This model is shown to require a dust mass of about 0.025 solar mass and a gas mass of approximately 1 solar mass, which imply that most of this mass would be associated with the molecular cloud surrounding the ionized region.

Mccarthy, J. F.↗
DOE OSTI2024

When and Where Lithium Plating Occurs, Its Correlation with Microstructure Heterogeneity, and the Mechanisms That Initiate and Self-Regulate Electrochemical Heterogeneity (A02-0444)

A microstructure scale electrochemical LIB model was used to investigate lithium plating onset, material non-uniform utilization, and in-plane heterogeneities for an NMC-graphite full cell. Model predicts active material particle surface roughness and size distribution (respectively, non-uniform curvature within and between particles) initiate in-plane heterogeneity, and that particle size heterogeneity at the separator interface controls the lithium plating preferential deposition ("Where"). These in-plane heterogeneities are then exacerbated by through-plane heterogeneities induced at fast charge as electrolyte depletion occurs and concentrates intercalation reaction near the anode-separator interface. Also, magnitude and occurrence of lithium plating is controlled by effective, or macroscale, microstructure parameters ("When"). As local states of charge start to diverge between nearby active material regions, overpotential differences induced by OCP difference kick in and contribute to reduce these SOC local heterogeneities. However, for staged materials such as graphite, with OCP profile alternating between plateaus and varying regions, this balancing mechanism is, respectively, inactive and active. This leads to a dynamic, non-monotonic, in-plane heterogeneity time evolution for state of charge and Faraday current density, for which their respective in-plane heterogeneity magnitude alternates. Such behavior has been modeled both for the whole electrode at the microstructure scale and at the particle scale. In-plane heterogeneities are usually considered to be detrimental, as they result in material non-uniform utilization (i.e., under and over stressed regions) and earlier degradations. However, this work provides a more granular approach as it discriminates between a harmful in-plane heterogeneity (non-uniform curvature) that triggers SOC in-plane heterogeneity, and a beneficial in-plane heterogeneity (Faraday current density) that contributes to reduce SOC in-plane heterogeneity. This work comprehensively explains the mechanisms that initiate, exacerbate, and regulate heterogeneity at the microstructure scale, while providing some design suggestions to reduce both in-plane and through-plane heterogeneities, as summarized in the graphical abstract.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Understanding the Reaction of Nuclear Graphite with Molecular Oxygen

A thorough understanding of oxidation is important when considering the health and integrity of graphite components in graphite reactors. For the next generation of graphite reactors, HTGRs specifically, an unlikely air ingress has been deemed significant enough to have made its way into the licensing applications of many international licensing bodies. While a substantial body of literature exists on nuclear graphite oxidation in the presence of molecular oxygen and significant efforts have been made to characterize oxidation kinetics of various grades, the value of existing information is somewhat limited. Often, multiple competing processes, including reaction kinetics, mass transfer, and microstructural evolution, are lumped together into a single rate expression that limits the ability to translate this information to different conditions. This article reviews the reaction of graphite with molecular oxygen in terms of the reaction kinetics, gas transport, and microstructural evolution of graphite. It also presents the foundations of a model for the graphite-molecular oxygen reaction system that is kinetically independent of graphite grade, and is capable of describing both the bulk and local oxidation rates under a wide range of conditions applicable to air-ingress.

J. Kane, Joshua↗
NASA NTRS2011

Statistical Models of Fracture Relevant to Nuclear-Grade Graphite: Review and Recommendations

The nuclear-grade (low-impurity) graphite needed for the fuel element and moderator material for next-generation (Gen IV) reactors displays large scatter in strength and a nonlinear stress-strain response from damage accumulation. This response can be characterized as quasi-brittle. In this expanded review, relevant statistical failure models for various brittle and quasi-brittle material systems are discussed with regard to strength distribution, size effect, multiaxial strength, and damage accumulation. This includes descriptions of the Weibull, Batdorf, and Burchell models as well as models that describe the strength response of composite materials, which involves distributed damage. Results from lattice simulations are included for a physics-based description of material breakdown. Consideration is given to the predicted transition between brittle and quasi-brittle damage behavior versus the density of damage (level of disorder) within the material system. The literature indicates that weakest-link-based failure modeling approaches appear to be reasonably robust in that they can be applied to materials that display distributed damage, provided that the level of disorder in the material is not too large. The Weibull distribution is argued to be the most appropriate statistical distribution to model the stochastic-strength response of graphite.

Nemeth, Noel N.↗
NASA NTRS1998

Modeling Intermolecular Interactions in Nanotubes, Fullerenes and Graphite using a New Long-Range Potential

The cohesive energy and compressibility of strands of a single-wall nanotube rope has been computed using a new long-range potential energy function derived from accurate ab initio quantum chemistry calculations of the benzene dimer and calibrated for energetic and mechanical properties of graphite (at pressures up to 12 GPa). We also use this potential to calculate a variety of properties of carbon nanotubes (both single- and multi-wall) and fullerenes. Extensive comparisons are made with previously published potentials.

Jaffe, Richard↗
NASA NTRS2010

Modeling Initial Stage of Ablation Material Pyrolysis: Graphitic Precursor Formation and Interfacial Effects

Reactive molecular dynamics simulations are used to study initial stage of pyrolysis of ablation materials and their composites with carbon nanotubes and carbon fibers. The products formed during pyrolysis are characterized and water is found as the primary product in all cases. The water formation mechanisms are analyzed and the value of the activation energy for water formation is estimated. A detailed study on graphitic precursor formation reveals the presence of two temperature zones. In the lower temperature zone (less than 2000 K) polymerization occurs resulting in formation of large, stable graphitic precursors, and in the high temperature zone (greater than 2000 K) polymer scission results in formation of short polymer chains/molecules. Simulations performed in the high temperature zone on the phenolic resin composites (with carbon nanotubes and carbon fibers) shows that the presence of interfaces had no substantial effect on the chain scission rate or the activation energy value for water formation.

Desai, Tapan G.↗
NASA NTRS1979

Electron and proton absorption calculations for a graphite/epoxy composite model

The Bethe-Bloch stopping power relations for inelastic collisions were used to determine the absorption of electron and proton energy in cured neat epoxy resin and the absorption of electron energy in a graphite/epoxy composite. Absorption of electron energy due to bremsstrahlung was determined. Electron energies from 0.2 to 4.0 MeV and proton energies from 0.3 to 1.75 MeV were used. Monoenergetic electron energy absorption profiles for models of pure graphite, cured neat epoxy resin, and graphite/epoxy composites are reported. A relation is determined for depth of uniform energy absorption in a composite as a function of fiber volume fraction and initial electron energy. Monoenergetic proton energy absorption profiles are reported for the neat resin model. A relation for total proton penetration in the epoxy resin as a function of initial proton energy is determined. Electron energy absorption in the composite due to bremsstrahlung is reported. Electron and proton energy absorption profiles in cured neat epoxy resin are reported for environments approximating geosynchronous earth orbit.

Long, E. R., Jr.↗
DOE OSTI2023

AGR-1, AGR-2, AGR-3/4, and AGR-5/6/7 DimensionalChange Analysis

A series of fuel irradiation experiments have been planned in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) to support the licensing and operation of the Advanced Reactor Technologies high temperature gas-cooled reactor. The advanced gas reactor (AGR) experiments are comprised of multiple independent capsules containing multiple cylindrical fuel compacts, placed inside of a graphite cylinder in ATR. The purpose of the AGR experiments is to provide data on fuel performance under irradiation, support fuel process development, qualify the fuel for normal operating conditions, provide irradiated fuel for accident testing, and support the development of fuel performance and fission product transport models. The advanced graphite creep (AGC) experiments provide irradiation creep data for design and licensing. To date, six irradiation campaigns have been completed: AGR-1 (December, 2006 – November, 2009); AGR-2 (June, 2010 – October, 2013); AGR-3/4 (December, 2011 – April, 2014); AGC-1 (September, 2009 – January, 2011); AGC-2 (April, 2011 – May, 2012); and AGC-3 (November, 2012 – April, 2014).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1998

Comparison of Graphite Fabric Reinforced PMR-15 and Avimid N Composites After Long Term Isothermal Aging at Various Temperatures

Extensive effort is currently being expended to demonstrate the feasibility of using high-performance, polymer-matrix composites as engine structural materials over the expected operating lifetime of the aircraft, which can extend from 18,000 to 30,000 hr. The goal is to develop light-weight, high-strength, and high-modulus materials for use in higher temperature sections of advanced 21 st century aircraft propulsion systems. To accomplish this goal, it is necessary to pursue the development of thermal and mechanical durability models for graphite-fiber-reinforced, polymer-matrix composites. Numerous investigations have been reported regarding the thermo-oxidative stability (TOS) of the polyimide PMR-15 (1-5). A significant amount of this work has been directed at edge and geometry effects, reinforcement fiber influences, and empirical modeling of high-temperature weight loss behavior. It is yet to be determined if the information obtained from the PMR-15 composite tests is applicable to other polyimide-matrix composites. The condensation-curing polymer Avimid N is another advanced composite material often considered for structural applications at high temperatures. Avimid N has better thermo-oxidative stability than PMR-15 (6), but the latter is more easily processed. The most comprehensive study of the thermo-oxidative stability of Avimid N neat resin and composites at 371 (infinity)C is found in Salin and Seferis (7). The purposes of the work described herein were to compare the thermal aging behavior of these two matrix polymers and to determine the reasons for and the consequences of the difference in thermal durability. These results might be of some use in improving future polymer development through the incorporation of the desirable characteristics of both polyimides.

Bowles, Kenneth J.↗
NASA NTRS1981

Durability/life of fiber composites in hygrothermomechanical environments

Statistical analysis and multiple regression were used to determine and quantify the significant hygrothermomechanical variables which infuence the tensile durability/life (cycle loading, fatigue) of boron-fiber/epoxy-matrix (B/E) and high-modulus-fiber/epoxy-matrix (HMS/E) composites. The use of the multiple regression analysis reduced the variables from fifteen, assumed initially, to six or less with a probability of greater than 0.999. The reduced variables were used to derive predictive models for compression an intralaminar shear durability/life of B/E and HMS/E composites assuming isoparametric fatigue behavior. The predictive models were subsequently generalized to predict the durability/life of graphite-fiber-r generalized model is of simple form, predicts conservative values compared with measured data and should be adequate for use in preliminary designs.

Chamis, C. C.↗