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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

React-compact: a computer code for modeling graphite corrosion and fuel hydrolysis - 18526

REACT-COMPACT is used to estimate localized graphite corrosion, fuel compact corrosion, and fuel hydrolysis by water vapor for a unit cell geometry within a High Temperature Gas Cooled Reactor (HTGR) fuel block. REACT-COMPACT may also be used to model corrosion in regions with graphite only, including core support posts. REACT-COMPACT solves the species-conservation equation for water vapor in a porous carbon medium for cylindrical geometry. Boundary-layer mass transfer from a helium coolant is modeled at either the inner or outer radius. Within the porous carbon medium, both diffusive and convective transport mechanisms are modeled. The reaction of water vapor with carbonaceous materials is modeled according to a Langmuir-Hinshelwood mechanism. The fuel hydrolysis reaction rate is based on a semi-empirical model derived from experimental data. Model parameters, including densities, void fractions, burn off factors for the intrinsic reaction rates, and diffusivity of water vapor in porous carbon, are evaluated as functions of local burn off. The effects of void-fraction gradients on transport processes are also modeled. REACT-COMPACT also solves the mass conservation equations for reacting fuel and carbonaceous materials, which are coupled in a nonlinear manner to the water-vapor conservation equation because of burn off effects. For this reason, a numerical finite-difference solution is used. This paper describes the theoretical basis for REACT-COMPACT and results for sample problems under representative HTGR conditions. (author)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Oxidation Behavior of Irradiated and Unirradiated NBG-25 Graphite

This presentation discusses The xxidation behavior of irradiated and unirradiated NBG-25 Graphite results of thermogravimetric analysis of same-source specimens from the AGC-1 experiement. Minimal annealing effects, Substantial increase in OR with Irradiation using Conventional Rate Analysis, Apparent Dose Dependency, Examination of Onset (Alternate Analysis) Shows Competing Irradiation Effects, and Similar Test Matrix (without annealing) now under way with NBG-18 Graphite is reviewed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Analysis Of Fracture Location on Tensile Graphite Samples

The main standard for testing the ultimate tensile strength of graphite is ASTM C749. Commercial entities have raised concerns about samples breaking outside of the gauge section, particularly in the radius or head of the sample. When this occurs, the data gathered from the samples is unusable and increases the cost of testing as more samples will need to be machined. This study investigates the locations and frequency of sample breakage for four different grades of graphite using a custom-made measurement scale. The four grades include two fine-grain (2114 and IG-110) and two medium/coarse-grain (NBG-17 and PCEA). Our results show that fine-grain grades are more susceptible to breaking outside the gauge section, with almost 30% of the samples from grade 2114 breaking outside this region. Additionally, the radius being too small causes stress concentrations near the ends of the gauge section resulting in a bimodal distribution of the fracture locations.

36 - MATERIALS SCIENCE↗
DOE OSTI2017

Synthesis of Carbon Dots with Multiple Color Emission by Controlled Graphitization and Surface Functionalization

Multiple-color-emissive carbon dots (CDots) have potential applications in various fields such as bioimaging, light-emitting devices, and photocatalysis. The majority of the current CDots to date exhibit excitation-wavelength-dependent emissions with their maximum emission limited at the blue-light region. In this paper, a synthesis of multiple-color-emission CDots by controlled graphitization and surface function is reported. The CDots are synthesized through controlled thermal pyrolysis of citric acid and urea. By regulating the thermal-pyrolysis temperature and ratio of reactants, the maximum emission of the resulting CDots gradually shifts from blue to red light, covering the entire light spectrum. Specifically, the emission position of the CDots can be tuned from 430 to 630 nm through controlling the extent of graphitization and the amount of surface functional groups, –COOH. The relative photoluminescence quantum yields of the CDots with blue, green, and red emission reach up to 52.6%, 35.1%, and 12.9%, respectively. Furthermore, it is demonstrated that the CDots can be uniformly dispersed into epoxy resins and be fabricated as transparent CDots/epoxy composites for multiple-color- and white-light-emitting devices. Finally, this research opens a door for developing low-cost CDots as alternative phosphors for light-emitting devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Upconversion of Infrared Light by Graphitic Microparticles Due to Photoinduced Structural Modification

Recent reports of upconversion and white light emission from graphitic particles warrant an explanation of the physics behind the process. A model is offered, wherein the upconversion is facilitated by photoinduced electronic structure modification allowing for multiphoton processes. As per the prediction of the model, it is experimentally shown that graphite upconverts infrared light centered around 1.31 μm (0.95 eV) to broadband white light centered around 0.85 μm (1.46 eV). The results suggest that upconversion from shortwave infrared (≈3 μm, 0.45 eV) to visible region may be possible. The experiments show that the population dynamics of the electronic states involved in this upconversion process occur in the timescale of milliseconds.

Sharma, Rohin↗
DOE OSTI2026

Scalable Upcycling of Spent Lithium-Ion Battery Anodic Graphite to Electronic-Grade Graphene

Recycling processes for lithium-ion batteries (LIBs) are imperative to support the sustainable growth of global energy storage systems. This study introduces a scalable method for the upcycling of spent graphite anodes from LIBs to produce electronic-grade graphene nanoplatelets. In addition to comprehensive materials characterization, the electronic quality of the upcycled graphene is demonstrated by formulating it into a screen printing ink that achieves high-resolution patterning and thin-film electrical conductivity exceeding 104 S m−1. This screen printing ink is also used to print planar micro-supercapacitors with exceptional areal capacitance (1.78 mF cm−2), areal energy density (0.247 µWh cm−2), and cycling stability (> 10 000 cycles). Life cycle assessment (LCA) and techno-economic analysis (TEA) highlight the environmental benefits and cost reductions attainable through upcycling of graphite from LIBs. By capturing economic value from spent LIBs, this work fosters a sustainable battery supply chain and provides an abundant and geographically distributed raw material for electronic-grade graphene.

energy storage↗
DOE OSTI2016

Highly Active and Stable Graphene Tubes Decorated with FeCoNi Alloy Nanoparticles via a Template-Free Graphitization for Bifunctional Oxygen Reduction and Evolution

Development of highly active and stable bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts from earth–abundant elements remains a grand challenge for highly demanded reversible fuel cells and metal–air batteries. Carbon catalysts have many advantages over others due to their low cost, excellent electrical conductivity, high surface area, and easy functionalization. However, they typically cannot withstand the highly oxidative OER environment. Here, a new class of bifunctional electrocatalyst is reported, consisting of ultralarge sized nitrogen doped graphene tubes (N–GTs) (>500 nm) decorated with FeCoNi alloy particles. These tubes are prepared from an inexpensive precursor, dicyandiamide, via a template–free graphitization process. The ORR/OER activity and the stability of these graphene tube catalysts depend strongly on the transition metal precursors. The best performing FeCoNi–derived N–GT catalyst exhibits excellent ORR and OER activity along with adequate electrochemical durability over a wide potential window (0–1.9 V) in alkaline media. Here, the measured OER current is solely due to desirable O 2 evolution, rather than carbon oxidation. Extensive electrochemical and physical characterization indicated that high graphitization degree, thicker tube walls, proper nitrogen doping, and presence of FeCoNi alloy particles are vital for high bifunctional activity and electrochemical durability of tubular carbon catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhanced Electrolyte Transport and Kinetics Mitigate Graphite Exfoliation and Li Plating in Fast–Charging Li–Ion Batteries

Despite significant progress in energy retention, lithium-ion batteries (LIBs) face untenable reductions in cycle life under extreme fast-charging (XFC) conditions, which primarily originate from a variety of kinetic limitations between the graphite anode and the electrolyte. Through quantitative Li + loss accounting and comprehensive materials analyses, it is directly observed that the operation of LIB pouch cells at 4 C||C/3 (charging||discharging) results in Li plating, disadvantageous solid-electrolyte-interphase formation, and solvent co-intercalation leading to interstitial decomposition within graphite layers. It is found that these failure modes originate from the insufficient properties of conventional electrolytes, where employing a designed ester-based electrolyte improved the capacity retention of these cells from 55.9% to 88.2% after 500 cycles when operated at the aforementioned conditions. These metrics are the result of effective mitigation of the aforementioned failure modes due to superior Li + transport and desolvation characteristics demonstrated through both experimental and computational characterization. Finally, this work reveals the vital nature of electrolyte design to XFC performance.

25 ENERGY STORAGE↗
DOE OSTI2015

Microstructure of room temperature ionic liquids at stepped graphite electrodes

Molecular dynamics simulations of room temperature ionic liquid (RTIL) [emim][TFSI] at stepped graphite electrodes were performed to investigate the influence of the thickness of the electrode surface step on the microstructure of interfacial RTILs. A strong correlation was observed between the interfacial RTIL structure and the step thickness in electrode surface as well as the ion size. Specifically, when the step thickness is commensurate with ion size, the interfacial layering of cation/anion is more evident; whereas, the layering tends to be less defined when the step thickness is close to the half of ion size. Furthermore, two-dimensional microstructure of ion layers exhibits different patterns and alignments of counter-ion/co-ion lattice at neutral and charged electrodes. As the cation/anion layering could impose considerable effects on ion diffusion, the detailed information of interfacial RTILs at stepped graphite presented here would help to understand the molecular mechanism of RTIL-electrode interfaces in supercapacitors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Impacts of Dissolved Ni 2+ on the Solid Electrolyte Interphase on a Graphite Anode

Transition metal (e.g. Ni) ions dissolved from layered-structured Ni-rich cathodes can migrate to the anode side and accelerate the failure of lithium-ion batteries. The investigations of the impact and distribution of Ni species on the solid electrolyte interphase (SEI) on the anode are crucial to understand the failure mechanism. Herein, we used time-of-flight secondary ion mass spectroscopy (TOF-SIMS) coupled with multivariate curve resolution (MCR) analysis to intuitively characterize the distribution of Ni species in the SEI. We find that the SEI on the graphite electrode using an EC-based electrolyte exhibits a multi-stratum structure. During accelerated aging of the LiNi 0.88 Co 0.08 Mn 0.04 O 2 /graphite full cell, the dissolution of Ni aggravates significantly upon cycling. A strong correlation between the dissolved-Ni and organic species in the SEI on graphite is illustrated. Here, the ion-exchange reaction between Ni 2+ and Li + ions in the SEI is demonstrated to be the main reason for the increase of SEI resistivity.

25 ENERGY STORAGE↗
DOE OSTI2022

Enhancing Li + Transport in NMC811||Graphite Lithium–Ion Batteries at Low Temperatures by Using Low–Polarity–Solvent Electrolytes

LiNi x Co y MnzO 2 (x+y+z=1)||graphite lithium-ion battery (LIB) chemistry promises practical applications. However, its low-temperature (≤ –20°C) performance is poor because the increased resistance encountered by Li + transport in and across the bulk electrolytes and the electrolyte/electrode interphases induces capacity loss and battery failures. Though tremendous efforts have been made, there is still no effective way to reduce the charge transfer resistance (R ct ) which dominates low-temperature LIBs performance. In this work, we propose a strategy of using low-polarity-solvent electrolytes which have weak interactions between the solvents and the Li + to reduce R ct , achieving facile Li + transport at sub-zero temperatures. The exemplary electrolyte enables LiNi 0.8 Mn 0.1 Co 0.1 O 2 ||graphite cells to deliver a capacity of ≈113 mAh g –1 (98% full-cell capacity) at 25°C and to remain 82% of their room-temperature capacity at –20°C without lithium plating at 1/3C. They also retain 84% of their capacity at –30°C and 78% of their capacity at –40°C and show stable cycling at 50°C.

25 ENERGY STORAGE↗
DOE OSTI2023

3D Carbon Coating Enabled High‐capacity and Stable Micro‐sized Silicon Suboxide‐graphite Blended Anodes for Practical Lithium‐ion Batteries

Abstract Silicon oxide (SiO x ) is a promising anode candidate of lithium‐ion batteries (LIBs) owing to its extremely high specific capacity. However, the low initial Coulombic efficiency (ICE) and rapid capacity degradation of SiO x , triggered by the enormous volume variation upon repeated (de)lithiation, gravely hinder its practical use. Herein, two mass‐produced micro‐sized SiO x @C composites with obviously different morphologies for commercial LIBs are reported. Particularly, the SiO x ‐graphite blended anode (SiO x @3D‐G‐Gr) based on SiO x wrapped by three‐dimensional (3D) carbon layers (SiO x @3D‐G) exhibits a capacity of 519 mAh g −1 , an ICE of 90.0 % and a capacity retention of 83.4 % at 0.2 C over 100 cycles. which is far exceeding its counterpart SiO x @C‐H‐Gr (65.7 %). The obtained impressive properties of SiO x @3D‐G originate from the critical contribution of 3D carbon layers, which serves as the effective stress buffer and protective layer as well as the strong networks for electron/Li + transport. Accordingly, the full‐cell based on SiO x @3D‐G‐Gr anode and commercial LiCoO 2 cathode delivers a capacity of 803 mAh and an excellent capacity retention of 95.6 % (616 mAh, 96.6 % for graphite, respectively) at 1 C over 100 cycles with a stabilized CE of nearly 100 %. The micro‐sized SiO x @3D‐G showing a promising prospect in the commercial‐grade anodes in LIBs.

Electrochemistry↗
DOE OSTI2018

Fabrication and physicochemical characterization of graphene oxide derived from thermally expanded graphite

Graphene oxide was obtained from expanded graphite according to the modified Hummers method. The reaction time was significantly reduced (from 24 to 8 h) by applying the expanded graphite in the oxidation process. The interlayer distance in obtained samples was equal to 0.70–0.74 nm. Structural features of the material were studied by the powder X-ray diffraction, thermogravimetric analysis, scanning electron microscopy, transmission electron microscopy, XPS spectroscopy, and NMR spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Tetracyanoethylene oxide-functionalized graphene and graphite characterized by Raman and Auger spectroscopy

The tetracyanoethylene oxide (TCNEO) functionalization of chemical vapor deposition grown large area graphene and graphite was performed using reaction of TCNEO with carbon surface in chlorobenzene. The successful functionalization has been confirmed by Raman and Auger spectroscopy, and by numerical modeling of the structure and vibrational modes of TCNEO-functionalized graphene. Raman spectra of TCNEO-functionalized graphene and graphite show several groups of lines corresponding to vibrations of attached carbonyl ylide. Lastly, one of key signatures of TCNEO attachment is the high intensity Raman band at ~1450 cm ₋1 , which represents the C-C=C in plane vibrations in functionalization-distorted graphene. We find Raman spectra indicate the existence of central (pristine) attachment of TCNEO to graphene surface.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Property changes of G347A graphite due to neutron irradiation

A new, fine-grain nuclear graphite, grade G347A from Tokai Carbon Co., Ltd., has been irradiated in the High Flux Isotope Reactor at Oak Ridge National Laboratory to study the materials property changes that occur when exposed to neutron irradiation at temperatures of interest for Generation-IV nuclear reactor applications. Specimen temperatures ranged from 290°C to 800 °C with a maximum neutron fluence of 40 × 10 25 n/m 2 [E > 0.1 MeV] (~30dpa). Lastly, observed behaviors include: anisotropic behavior of dimensional change in an isotropic graphite, Young's modulus showing parabolic fluence dependence, electrical resistivity increasing at low fluence and additional increase at high fluence, thermal conductivity rapidly decreasing at low fluence followed by continued degradation, and a similar plateau value of the mean coefficient of thermal expansion for all irradiation temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Theory and application of laser ultrasonic shear wave birefringence measurements to the determination of microstructure orientation in transversely isotropic, polycrystalline graphite materials

Laser ultrasonic line source methods have been used to study elastic anisotropy in nuclear graphites by measuring shear wave birefringence. Depending on the manufacturing processes used during production, nuclear graphites can exhibit various degrees of material anisotropy related to preferred crystallite orientation and to microcracking. In this paper, laser ultrasonic line source measurements of shear wave birefringence on NBG-25 have been performed to assess elastic anisotropy. Laser line sources allow specific polarizations for shear waves to be transmitted – the corresponding wavespeeds can be used to compute bulk, elastic moduli that serve to quantify anisotropy. These modulus values can be interpreted using physical property models based on orientation distribution coefficients and microcrack-modified, single crystal moduli to represent the combined effects of crystallite orientation and microcracking on material anisotropy. Finally, ultrasonic results are compared to and contrasted with measurements of anisotropy based on the coefficient of thermal expansion to show the relationship of results from these techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Historical experiment to measure irradiation-induced creep of graphite

This paper presents historical results of graphite irradiation-induced creep experiments that were performed at Oak Ridge National Laboratory from the 1950's to the 1970's. These experiments were performed at temperatures from 150°C to 1000 °C, and bend stresses ranging from 500 to 5000 psi (~3.3–34.5 MPa). The experimental setup utilized in-situ measurement of specimen displacement, on-line applied stress control, and the ability to change stress during the experiment. The different stress conditions showed that the primary creep strain and the steady-state creep rates both have a linear stress dependence. The temperature range used in this work resulted in trends that have not be previously presented in the literature: 1) a linear dependence of primary creep strain on temperature, and 2) the shape of steady state creep rate versus temperature (see graphical abstract). The maximum dose in the specimens was 0.9 dpa, which is sufficient to achieve steady-state creep without the structural changes that alter the observed creep behavior. The results from this experiment provide evidence that dispels that the pinning-unpinning model describes the mechanism of irradiation creep in graphite. Instead these results suggest a dislocation climb mechanism is the probable mechanism for creep within the crystalline regions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microstructure and defect engineering of graphite anodes by pulsed laser annealing for enhanced performance of lithium-ion batteries

We report nanosecond pulsed laser annealing significantly improves cyclability and current carrying capacity of lithium-ion batteries (LIBs). This improvement is achieved by engineering of microstructure and defect contents present in graphite in a controlled way by using pulsed laser annealing (PLA) to increase the number density of Li + ion trapping sites. The PLA treatment causes the following changes: (1) creates surface steps and grooves between the grains to improve Li + ion charging and intercalation rates; (2) removes inactive polyvinylidene difluoride (PVDF) binder from the top of graphite grains and between the grains which otherwise tends to block the Li + migration; and (3) produces carbon vacancies in (0001) planes which can provide Li + charging sites. From X-ray diffraction data, we find upshift in diffraction peak or reduction in planar spacing, from which vacancy concentration was estimated to be about 1.0%, which is higher than the thermodynamic equilibrium concentration of vacancies. The laser treatment creates single and multiple C vacancies which provide sites for Li + ions, and it also produces steps and grooves for Li + ions to enter the intercalating sites. It is envisaged that the formation of these sites enhances Li+ ion absorption during charge and discharge cycles. The current capacity increases from an average 360 mAh/g to 430 mAh/g, and C–V shows significant reduction in SEI layer formation after the laser treatment. If the vacancy concentration is too high and charge-discharge cycles are long, then trapping of electrons by Li + may occur, which can lead to Li 0 formation and Li plating causing reduction in current capacity.

25 ENERGY STORAGE↗