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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Critical Heat Flux in Pool Boiling on Metal-Graphite Composite Surfaces

A study is conducted on high heat-flux pool boiling of pentane on micro-configured composite surfaces. The boiling surfaces are copper-graphite (Cu-Gr) and aluminum-graphite (Al-Gr) composites with a fiber volume concentration of 50%. The micro-graphite fibers embedded in the matrix contribute to a substantial enhancement in boiling heat-transfer performance. Correlation equations are obtained for both the isolated and coalesced bubble regimes, utilizing a mathematical model based on a metal-graphite, two-tier configuration with the aid of experimental data. A new model to predict the critical heat flux (CHF) on the composites is proposed to explain the fundamental aspects of the boiling phenomena. Three different factors affecting the CHF are considered in the model. Two of them are expected to become the main agents driving vapor volume detachment under microgravity conditions, using the metal-graphite composite surfaces as the heating surface and using liquids with an unusual Marangoni effect as the working fluid.

Zhang, Nengli↗
DOE OSTI2023

ASME Irradiation Model

ASME Irradiation Model: How to deal with irradiation data in ASME code rules. Includes discussion on challenges to nuclear graphite, such as lack of sufficient irradiation data to qualify graphite for nuclear application for all grades and temperatures, variety of grades, and time/room in available MTRs to get all the required data. Discussion of Irradiation behavior, Leveraging data generated by GIF countries the past 20 years, Dimensional Change Theory, behavior, analysis, turnaround, and data. Future discussions include Arrhenius approach to predict turnaround behavior for the ASME MDS requirements for all nuclear graphite.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Predictive Modeling of Electrodeposition in a Single Pore Flow-Through Electrode: From Electronucleation to Coating Thickness Uniformity

The emergence of advanced manufacturing methods capable of producing porous three-dimensional structures has expanded the design space for next-generation functional components. The ability to fabricate ordered 3D foams for use in electrocatalysis reactors has increased the need for controlled deposition of catalytic metals onto porous support materials, such as carbon. However, there is a lack of clear design guidelines for electrodeposition onto 3D substrates, due to the geometric complexity and multi-scale nature of the problem. Furthermore, electro-nucleation phenomena are often overlooked in macro-scale models of current distribution during deposition. Here, a graphite flow-through electrode (FTE) is used as a model system for copper deposition within a single pore. Potential distributions and electro-nucleation phenomena are coupled in a continuum level model by incorporating nucleation size and density as a function of overpotential, determined experimentally using in situ atomic force microscopy (AFM). The model predictions are validated by measuring the coating uniformity in the pore using micro-computed X-ray tomography (μCT). A scaling analysis comprising dimensionless parameters such as the Wagner number is presented. The simplified scaling relationship framework can guide the electrodeposition process and electrode design to optimize plating of porous substrates under fluid flow conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Temporal Treatment of a Thermal Response for Defect Depth Estimation

Transient thermography, which employs pulse surface heating of an inspected component followed by acquisition of the thermal decay stage, is gaining wider acceptance as a result of its remoteness and rapidness. Flaws in the component s material may induce a thermal contrast in surface thermograms. An important issue in transient thermography is estimating the depth of a subsurface flaw from the thermal response. This improves the quantitative ability of the thermal evaluation: from one scan it is possible to locate regions of anomalies in thickness (caused by corrosion) and estimate the implications of the flaw on the integrity of the structure. Our research focuses on thick composite aircraft components. A long square heating pulse and several minutes observation period are required to receive an adequate thermal response from such a component. Application of various time-related informative parameters of the thermal response for depth estimation is discussed. A three-dimensional finite difference model of heat propagation in solids in Cartesian coordinates is used to simulate the thermographic process. Typical physical properties of polymer graphite composites are assumed for the model.

Plotnikov, Y. A.↗
NASA NTRS1972

Erosion of graphite surface exposed to hot supersonic hydrogen gas

A theoretical model based on laminar boundary layer flow equations was developed to predict the erosion rate of a graphite (AGCarb-101) surface exposed to a hot supersonic stream of hydrogen gas. The supersonic flow in the nozzle outside the boundary layer formed over the surface of the specimen was determined by assuming one-dimensional isentropic conditions. An overall surface reaction rate expression based on experimental studies was used to describe the interaction of hydrogen with graphite. A satisfactory agreement was found between the results of the computation, and the available experimental data. Some shortcomings of the model and further possible improvements are discussed.

Sharma, O. P.↗
NASA NTRS1972

Erosion of graphite surface exposed to hot supersonic hydrogen gas

A theoretical model based on laminar boundary layer flow equations is developed to predict the erosion rate of a graphite (AGCarb-101) surface exposed to a hot supersonic stream of hydrogen gas. The supersonic flow in the nozzle outside the boundary layer formed over the surface of the specimen is determined by assuming one-dimensional isentropic conditions. An overall surface reaction rate expression based on the experimental studies by Clarke and Fox is used to describe the interaction of hydrogen with graphite. A satisfactory agreement is found between the results of the computation, and the available experimental data. Some shortcomings of the model, and further possible improvements are discussed.

Sharma, O. P.↗
NASA NTRS1989

Size distribution of dust grains: A problem of self-similarity

Distribution functions describing the results of natural processes frequently show the shape of power laws, e.g., mass functions of stars and molecular clouds, velocity spectrum of turbulence, size distributions of asteroids, micrometeorites and also interstellar dust grains. It is an open question whether this behavior is a result simply coming about by the chosen mathematical representation of the observational data or reflects a deep-seated principle of nature. The authors suppose the latter being the case. Using a dust model consisting of silicate and graphite grains Mathis et al. (1977) showed that the interstellar extinction curve can be represented by taking a grain radii distribution of power law type n(a) varies as a(exp -p) with 3.3 less than or equal to p less than or equal to 3.6 (example 1) as a basis. A different approach to understanding power laws like that in example 1 becomes possible by the theory of self-similar processes (scale invariance). The beta model of turbulence (Frisch et al., 1978) leads in an elementary way to the concept of the self-similarity dimension D, a special case of Mandelbrot's (1977) fractal dimension. In the frame of this beta model, it is supposed that on each stage of a cascade the system decays to N clumps and that only the portion beta N remains active further on. An important feature of this model is that the active eddies become less and less space-filling. In the following, the authors assume that grain-grain collisions are such a scale-invarient process and that the remaining grains are the inactive (frozen) clumps of the cascade. In this way, a size distribution n(a) da varies as a(exp -(D+1))da (example 2) results. It seems to be highly probable that the power law character of the size distribution of interstellar dust grains is the result of a self-similarity process. We can, however, not exclude that the process leading to the interstellar grain size distribution is not fragmentation at all. It could be, e.g., diffusion-limited growth discussed by Sander (1986), who applied the theory of fractal geometry to the classification of non-equilibrium growth processes. He received D=2.4 for diffusion-limited aggregation in 3d-space.

Henning, TH.↗
NASA NTRS1988

Interlaminar fracture toughness of thermoplastic composites

Edge delamination tension and double cantilever beam tests were used to characterize the interlaminar fracture toughness of continuous graphite-fiber composites made from experimental thermoplastic polyimides and a model thermoplastic. Residual thermal stresses, known to be significant in materials processed at high temperatures, were included in the edge delamination calculations. In the model thermoplastic system (polycarbonate matrix), surface properties of the graphite fiber were shown to be significant. Critical strain energy release rates for two different fibers having similar nominal tensile properties differed by 30 to 60 percent. The reason for the difference is not clear. Interlaminar toughness values for the thermoplastic polyimide composites (LARC-TPI and polyimidesulfone) were 3 to 4 in-lb/sq in. Scanning electron micrographs of the EDT fracture surfaces suggest poor fiber/matrix bonding. Residual thermal stresses account for up to 32 percent of the strain energy release in composites made from these high-temperature resins.

Hinkley, J. A.↗
NASA NTRS1990

Shock induced polymorphic transition in quartz, carbon, and boron nitride

The model proposed by Ahrens (1988) to explain the mechanism of the polymorphism in silicates is revised, and the revised model is applied to the quartz/stishovite, graphite/diamond, and graphite-boron nitride (g-BN) phase transformations. In this model, a key assumption is that transformation to a high-density amorphous or possibly liquid phase which rapidly crystallized to the high-pressure phase is triggered by the high temperatures in the shear band and upon crossing the metastable extension of a melting curve. Good agreement between the calcualted results and published data is obtained. The present theory predicts the standard entropy for cubic BN to be 0.4-0.5 J/g K.

Tan, Hua↗
NASA NTRS1989

Interlaminar fracture toughness of thermoplastic composites

Edge delamination tension and double cantilever beam tests were used to characterize the interlaminar fracture toughness of continuous graphite-fiber composites made from experimental thermoplastic polyimides and a model thermoplastic. Residual thermal stresses, known to be significant in materials processed at high temperatures, were included in the edge delamination calculations. In the model thermoplastic system (polycarbonate matrix), surface properties of the graphite fiber were shown to be significant. Cricital strain energy release rates for two different fibers having similar nominal tensile properties differed by 30 to 60 percent. The reason for the difference is not clear. Interlaminar toughness values for the thermoplastic polyimide composites (LARC-TPI and polyimidesulfone) were 3 to 4 in-lb/sq in. Scanning electron micrographs of the EDT fracture surfaces suggest poor fiber/matrix bonding. Residual thermal stresses account for up to 32 percent of the strain energy release in composites made from these high-temperature resins.

Hinkley, Jeffrey A.↗
DOE OSTI2021

Highly Concentrated Electrolytes: Electrochemical and Physicochemical Characteristics of LiPF 6 in Propylene Carbonate Solutions

Highly concentrated electrolytes (HCEs) based on LiPF 6 in propylene carbonate (PC) have been examined as lithium-ion battery electrolytes. These HCEs have lower ionic conductivities and higher viscosities than ethylene carbonate (EC) electrolytes with 1.2 M LiPF 6 , but they have higher Li + ion transference numbers. Electrochemical cycling behaviour of LiNi 0.8 Co 0.015 Al 0.05 O 2 //graphite cells with 3.2 M LiPF 6 in PC resembles that of cells with EC-based electrolytes; the HCE cells have higher impedance, which can be lowered by increasing test temperature. By employing Raman and infrared spectroscopy, combined with density functional theory and ab initio molecular dynamics simulations, we reveal that the Li + solvation structure and speciation are key factors that determine cell performance. Two distinct regimes are observed as a function of salt concentration—in the conventional regime, the solvation number (SN) is mostly constant, while in the HCE regime it decreases linearly. Graphite exfoliation is suppressed only at very high salt concentrations ( > 2.4 M), where [ PC ] free /[Li + ] < 1 and P F 6 − f r e e > P C f r e e . Results from the Advanced Electrolyte Model indicate that Li + desolvation improves at higher LiPF 6 concentrations, thereby mitigating PC co-intercalation into the graphite. However, Li + ion transport is hindered in the HCEs, which increases impedance at both the oxide-positive and graphite-negative electrodes.

25 ENERGY STORAGE↗
NASA NTRS1992

Mechanism for diamond nucleation and growth on single crystal copper surfaces implanted with carbon

The nucleation and growth of diamond crystals on single-crystal copper surfaces implanted with carbon ions is studied. Microwave plasma-enhanced chemical-vapor deposition is used for diamond growth. The single-crystal copper substrates were implanted either at room or elevated temperature with carbon ions prior to diamond nucleation. This procedure leads to the formation of a graphite film on the copper surface which greatly enhances diamond crystallite nucleation. A simple lattice model is constructed for diamond growth on graphite as 111 line (diamond) parallel to 0001 line (graphite) and 110 line (diamond) parallel to 1 1 -2 0 (graphite).

Ong, T. P.↗
DOE OSTI2021

Challenging Practices of Algebraic Battery Life Models through Statistical Validation and Model Identification via Machine-Learning

Various modeling techniques are used to predict the capacity fade of Li-ion batteries. Algebraic reduced-order models, which are inherently interpretable and computationally fast, are ideal for use in battery controllers, technoeconomic models, and multi-objective optimizations. For Li-ion batteries with graphite anodes, solid-electrolyte-interphase (SEI) growth on the graphite surface dominates fade. This fade is often modeled using physically informed equations, such as square-root of time for predicting solvent-diffusion limited SEI growth, and Arrhenius and Tafel-like equations predicting the temperature and state-of-charge rate dependencies. In some cases, completely empirical relationships are proposed. However, statistical validation is rarely conducted to evaluate model optimality, and only a handful of possible models are usually investigated. This article demonstrates a novel procedure for automatically identifying reduced-order degradation models from millions of algorithmically generated equations via bi-level optimization and symbolic regression. Identified models are statistically validated using cross-validation, sensitivity analysis, and uncertainty quantification via bootstrapping. On a LiFePO 4 /Graphite cell calendar aging data set, automatically identified models utilizing square-root, power law, stretched exponential, and sigmoidal functions result in greater accuracy and lower uncertainty than models identified by human experts, and demonstrate that previously known physical relationships can be empirically "rediscovered" using machine learning.

25 ENERGY STORAGE↗
DOE OSTI2022

Updated Production Inventory for Lithium-Ion Battery Anodes for the GREET® Model, and Review of Advanced Battery Chemistries

The Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET®) model considers lithium-ion batteries with multiple anode materials. Synthetic graphite is the primary anode material used in the previous GREET versions, even as the model offered options to choose a lithium anode and/or a blended anode (blend of synthetic graphite and silicon). Yet, the inventory (material and energy flows) considered for these anodes is dated, and the anode options do not consider natural graphite, which is another important anode material for lithium-ion batteries. This report documents the material and energy flows for natural graphite anode production from raw material extraction to anode production – as incorporated in the updated GREET model. We also present a brief literature review on the current state of inventory for the other three anodes (synthetic graphite, silicon, and lithium), as well as updates made in the recent GREET model on material and energy flows associated with their respective production. Finally, this study provides a summary of advanced battery systems that may be alternatives to LIBs for use in future electric vehicles.

25 ENERGY STORAGE↗
DOE OSTI2020

Progress Report on Graphite-Salt Intrusion Studies

The document reports on the design, construction, testing and initial operation of the ORNL graphite intrusion system with pressurized molten salts. This technical memorandum is responsive to work package AT-20OR04060203, “Graphite-Salt Studies” —ORNL”, and fulfills Milestone M3AT20OR040602035 “Report on graphite-salt intrusion studies”.The report outlines the procedure of graphite intrusion experiments, which follows the ASTM standard guidance, and the procedures of other characterization measurements of graphite physical properties, also based on ASTM standard methods. A set of 12 graphite grades of various origin and properties went through preliminary characterizations, and six of them were further selected for intrusion experiments with molten FLiNaK. The results are discussed in the context of graphite physical properties and are compared with a several results from literature. The correlation between molten salt impregnation and mercury intrusion, first proposed by MSRE scientists, is discussed in detail. Pending collection of more data, the mercury intrusion porosimetry technique may possibly be used as a rapid method for screening and down selection of graphite grades with extremely low salt intrusion, as required for operation in molten salt reactors. This new system will generate data non only on intrusion behavior, but will also generate a wide range of salt- impregnated graphite samples that will be further analyzed with advanced characterization techniques for better understanding of the effect of salt intrusion on the properties of nuclear graphite. It expected that these results and future results obtained with this system will help advance our understanding of the factors controlling the extent of salt penetration in graphite and of the relationship with intrinsic structural properties of various grades. Together, correlating direct measurements results and graphite structural properties should allow development of a predictable model that could be used for selection and qualification of optimal graphite grades, tailored to design operation conditions and molten salt properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

XE-100 modeling and simulation for neutronic analysis in MCNP6.2

XE-100 is a generation IV helium-cooled, graphite-moderated, pebble-bed reactor (HTGR). As part of the pathway toward a conceptually designing and licensing this reactor, an independent Monte Carlo model was created in MCNP6.2, and several distinct neutronic analyses were then performed. The double heterogeneity of TRISO fuel within graphite pebbles introduces unique modeling challenges related to particle and pebble clipping. The results show that for neutron and photon heating of ex-core components such as the reflector, RCSS, core barrel (CB), the model that contains clipping produces higher heating values. It is therefore concluded that removing clipping via compression of the particles and pebbles within the model distributes the neutrons and gammas preferentially toward the core center, and reduces the heating that is experienced toward the reactor periphery. Thus, the most conservative model for ex-core heating contains particle and pebble clipping. Also presented are results on the impact of chamfers that exist on the corners of graphite reflector blocks. As these chamfers could potentially create streaming paths, the neutron and gamma flux from the core to the CB were analyzed. It was determined that the chamfers do not significantly impact the neutron or gamma signatures on the CB, in that the shape of the neutron and photon flux on a detector imposed on the CB shows no preferential streaming path. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Operando FTIR investigation of salt dynamics in Li-ion batteries during fast charging

Li-ion batteries, when charged at fast-charging rates ($>$2C), suffer from reduced lifetimes and can undergo catastrophic failure. During high-rate charging, Li-ions are unable to rapidly transport through high-loading electrodes ($>$4 mAh cm −2 ). This results in unequal charge distributions, potentials, and utilization of the active material, which can lead to Li plating. Li-ion concentration polarization, in which Li-ions deplete in the anode and accumulate in the cathode during charging, precedes Li plating. An operando FTIR-ATR graphite/NMC cell developed in this research captured Li-ion concentration polarization in real-time. During fast charging, decreases in Li-ion concentration ($>$95%) were measured at the back of the anode. This is the first verification of complete Li-ion depletion within the anode at high C-rates. The measurements also showed graphite stage transition. A P2D model was developed for comparison to the operando measurements. The measurements agreed with the model in some cases, but disparities existed at high C-rates and loadings. In the experiment, the Li-ion concentration often failed to recover to 1.2 M until several hours after charging, whereas the model Li-ion concentration rapidly recovered. The contrast between the model and experiment results indicates that further investigation is required to improve understanding of Li-ion concentration dynamics during fast charging.

25 - ENERGY STORAGE↗