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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Analysis of selected compression splice joint locations in a graphite-epoxy transport wing stub box

Three critical compression splice joint locations in a stitched graphite-epoxy transport wing stub box have been analyzed to determine their expected structural performance. The wing box is representative of a section of a commercial transport wing box and was designed and constructed by McDonnell Douglas Aerospace Company as part of the NASA Advanced Composites Technology (ACT) program. The results of the finite element analyses of the splice joints are presented. The analysis results indicate that failure will not occur in the splice joint regions for loads less than the Design Ultimate Load of the wing box.

Jegley, Dawn C.↗
NASA NTRS2000

X-33 LH2 Tank Failure Investigation Findings

This presentation focuses on the tank history, test objectives, failure description, investigation and conclusions. The test objectives include verify structural integrity at 105% expected flight load limit varying the following parameters: cryogenic temperature; internal pressure; and mechanical loading. The Failure description includes structural component of the aft body, quad-lobe design, and sandwich - honeycomb graphite epoxy construction.

Niedermeyer, Mindy↗
DOE OSTI2015

Nitrogen-Doping Enables Covalent-Like pi-pi Bonding between Graphenes

The neighboring layers in bi-layer (and few-layer) graphenes of both AA and AB stacking motifs are known to be separated at a distance corresponding to van der Waals (vdW) interactions. In this Letter, we present for the first time a new aspect of graphene chemistry in terms of a special chemical bonding between the giant graphene molecules . Through rigorous theoretical calculations, we demonstrate that the N-doped graphenes (NGPs) with various doping levels can form an unusual two-dimensional (2D) pi pi bonding in bi-layer NGPs bringing the neighboring NGPs to significantly reduced interlayer separations. The interlayer binding energies can be enhanced by up to 50% compared to the pristine graphene bi-layers that are characterized by only vdW interactions. Such an unusual chemical bonding arises from the pi pi overlap across the vdW gap while the individual layers maintain their in-plane pi-conjugation and are accordingly planar. The existence of the resulting interlayer covalent-like bonding is corroborated by electronic structure calculations and crystal orbital overlap population (COOP) analyses. In NGP-based graphite with the optimal doping level, the NGP layers are uniformly stacked and the 3D bulk exhibits metallic characteristics both in the in-plane and along the stacking directions.

Tian, Yong-Hui↗
DOE OSTI2021

Sulfurized Polyacrylonitrile (SPAN): Changes in Mechanical Properties during Electrochemical Lithiation

Sulfurized polyacrylonitrile (SPAN) is a promising material for stable lithium-sulfur (Li-S) batteries that can potentially satisfy the demand for high-density energy storage devices for electric vehicles (EVs). However, important physical and chemical properties of the SPAN cathode material are not yet well understood. For example, the SPAN mechanical behavior that depends on the structure and chemistry of the material generated during synthesis, and the mechanical response evolution during battery discharge have been scarcely investigated. This work addresses the effects of electrochemical lithiation on the SPAN mechanical integrity via uniaxial tensile loading tests using molecular dynamics with the ReaxFF potential. Here, we evaluate the volume expansion, Young’s modulus, yield strength, and ultimate tensile strength with increasing lithium contents. Our results show how the degree of graphitization of the carbonized skeleton impacts the SPAN ability to withstand the volume expansion-induced structural stresses upon lithiation. We describe the fracture mechanisms and find out a ductility loss with increasing lithium contents

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Synthesis, electrical and thermal conductivities, and potential applications of graphite fluoride fibers

Graphite fluoride fibers can be produced by fluorinating pristine or intercalated graphite fibers. The higher the degree of graphitization of the fibers, the higher the temperature needed to reach the same degree of fluorination. Structural damage during high temperature fluorination can be reduced or eliminated by pretreating the fibers with bromine and/or fluorine. The electrical resistivity of the fibers was in the 0.01 to 10 to the 11th ohm-cm range. The thermal conductivity of these fibers ranged from 5 to 75 W/m-K, which is much larger than the thermal conductivity of glass (1.1 W/m-K), the commonly used fiber in epoxy composites. A composite made from graphite fluoride fibers and epoxy or PTFE may be highly thermally conducting and electrically insulating or semiconducting. The electrically insulating product may be used as heat sinks for electrical or electronic instruments.

Hung, Ching-Cheh↗
DOE OSTI2024

Anode Upcycling via Tailored Solvent Treatment

To achieve a truly closed-loop direct recycling process for lithium-ion batteries, all component materials must be recovered. To date, direct recycling method development has primarily focused on the high-value transition-metal cathode materials, while the inherently lower-value graphite has been challenging to recover in a cost-effective manner. However, end-of-life graphite contains a unique engineered value due to the presence of the solid electrolyte interphase (SEI). Growth of the SEI during the cell's active lifetime stabilizes the electronically reactive graphite surface through an irreversible consumption of Li, and thus necessitates both excess lithiation of the cathode and a costly and time-intensive formation procedure during manufacturing. An optimized pre-formed SEI that capitalizes on existing SEI components from end-of-life batteries has the potential to significantly reduce cathode lithiation requirements and eliminate the critical bottleneck of formation cycling during cell remanufacturing. Further, retaining Li at the anode obviates the need for a separate Li leaching and recovery step, improving the overall efficiency of the direct recycling line. In this work, we present a novel approach to "upcycling" spent graphite through use of tailored chemical treatment to remove adverse (i.e., highly resistive and/or poorly passivating) SEI species while retaining beneficially passivating components. We have explored a rational set of solvents spanning a range of polarity, proticity, and molecular size to evaluate structure-property-performance relationships between applied solvent(s), removed and remaining SEI species, and electrochemical response of the resulting graphite product. Further, we have developed and optimized a robust and holistic analysis procedure that couples symmetric-cell electrochemical testing, multi-modal materials characterization, and advanced electrochemical modeling. These analysis results inform a set of correlative metrics for graphite performance relative to both solvent properties and upcycled SEI composition. We demonstrate effective tunability in the residual SEI composition by varying solvent identity and concentration, and report on several promising solvent systems that achieve comparable or performance to pristine graphite.

anode recycling↗
NASA NTRS1992

Structural performance of two aerobrake hexagonal heat shield panel concepts

Structural sizing and performance are presented for two structural concepts for an aerobrake hexagonal heat shield panel. One concept features a sandwich construction with an aluminum honeycomb core and thin quasi-isotropic graphite-epoxy face sheets. The other concept features a skin-rib isogrid construction with thin quasi-isotropic graphite-epoxy skins and graphite-epoxy ribs oriented at 0, +60, and -60 degs along the panel. Linear static, linear bifurcation buckling, and nonlinear static analyses were performed to compare the structural performance of the two panel concepts and assess their feasibility for a lunar transfer vehicle aerobrake application.

Dorsey, John T.↗
DOE OSTI2014

Encapsulation of LiFePO{sub 4} by in-situ graphitized carbon cage towards enhanced low temperature performance as cathode materials for lithium ion batteries

The severe capacity decay of LiFePO{sub 4} at low temperatures (≤0 °C) limits its wide applications as cathode materials for energy storage batteries. Creating comprehensive carbon network between particles with improved electronic conductivity is a well known solution to this problem. Here, a novel structured LiFePO{sub 4}/C composite was prepared by a facile solid state route, in which nanosized LiFePO{sub 4} spheres were encapsulated by in-situ graphitized carbon cages. With the enhancement in electronic conductivity (2.15e−1 S cm{sup −1}), the composite presented excellent rate performance at room temperature and remarkable capacity retention at −40 °C, with charge transfer resistance much lower than commercial LiFePO{sub 4}. - Graphical abstract: A novel structured LiFePO{sub 4/}C composite was prepared by a facile solid state route, in which nanosized LiFePO{sub 4} spheres were encapsulated by in-situ graphitized carbon cages. - Highlights: • Several nano-sized LiFePO{sub 4} particles are encapsulated in carbon cage. • Carbon is in-situ graphitized with enhanced electronic conductivity. • The as prepared LiFePO{sub 4} exhibits notable capacity retention at −40 °C. • R{sub ct} is lowered by a factor of ∼10 compared with commercial LiFePO{sub 4}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring

The solid electrolyte interface (SEI) forms as a result of side reactions between the electrolyte and electrode surfaces in Li-ion batteries and can adversely impact performance by impeding Li-ion transport and diminishing the storage capacity of the battery. To gain a detailed understanding of the impact of the SEI on electrolyte structure, atomistic molecular dynamics simulations of the electrode/electrolyte interface were performed in the presence and absence of the SEI under applied voltages. The composition of the SEI was guided by a wealth of data from experiments and allowed to vary across the simulations. A novel computational approach was implemented that showed significant computational speedup compared to fully polarizable electrode simulations, yet, retained the correct qualitative physics for the electrolyte. A force-matching algorithm was used to construct a new force field for the pure electrolyte, LiPF6 in ethylene carbonate, which was developed from ab initio molecular dynamics simulations. The electrode/electrolyte interface was included using a simple, physically motivated model, which includes the polarization of the conducting graphitic electrode by the electrolyte and the application of an external voltage. Changes in the structure of the electrolyte at the interface as a function of applied voltage, the thickness of the SEI layer, and composition of the SEI provide molecular level insight into the species present at these interfaces and potential clues to the effect of the SEI on transport. It is noted that, with increasing SEI thickness and LiF content, lithium ions are drawn closer to the SEI surface, which implies that these interfaces favor desolvation and promote more rapid lithium transport.

Jorn, Ryan↗
NASA NTRS1985

Abrasion behavior of aluminum and composite skin coupons, stiffened skins and stiffened panels representative of transport airplane structures

A three-phase investigation was conducted to compare the friction and wear response of aluminum and graphite-epoxy composite materials when subjected to loading conditions similar to those experienced by the skin panels on the underside of a transport airplane during an emergency belly landing on a runway surface. The first phase involved a laboratory test which used a standard belt sander to provide the sliding abrasive surface. Small skin-coupon test specimens were abraded over a range of pressures and velocities to determine the effects of these variables on the coefficient of friction and wear rate. The second phase involved abrading I-beam stiffened skins on actual runway surface over the same range of pressures and velocities used in the first phase. In the third phase, large stiffened panels which most closely resembled transport fuelage skin construction were abraded on a runway surface. This report presents results from each phase of the investigation and shows comparisons between the friction and wear behavior of the aluminum and graphite-epoxy composite materials.

Jackson, K. E.↗
DOE OSTI2023

A Systematic Study on the Effects of Solvating Solvents and Additives in Localized High‐Concentration Electrolytes over Electrochemical Performance of Lithium‐Ion Batteries

Abstract Localized high‐concentration electrolytes (LHCEs) based on five different types of solvents were systematically studied and compared in lithium (Li)‐ion batteries (LIBs). The unique solvation structure of LHCEs promotes the participation of Li salt in forming solid electrolyte interphase (SEI) on graphite (Gr) anode, which enables solvents previously considered incompatible with Gr to achieve reversible lithiation/delithiation. However, the long cyclability of LIBs is still subject to the intrinsic properties of the solvent species in LHCEs. Such issue can be readily resolved by introducing a small amount of additive into LHCEs. The synergetic decompositions of Li salt, solvating solvent and additive yield effective SEIs and cathode electrolyte interphases (CEIs) in most of the studied LHCEs. This study reveals that both the structure and the composition of solvation sheaths in LHCEs have significant effect on SEI and CEI, and consequently, the cycle life of energetically dense LIBs.

Jia, Hao↗
DOE OSTI2023

A Systematic Study on the Effects of Solvating Solvents and Additives in Localized High‐Concentration Electrolytes over Electrochemical Performance of Lithium‐Ion Batteries

Abstract Localized high‐concentration electrolytes (LHCEs) based on five different types of solvents were systematically studied and compared in lithium (Li)‐ion batteries (LIBs). The unique solvation structure of LHCEs promotes the participation of Li salt in forming solid electrolyte interphase (SEI) on graphite (Gr) anode, which enables solvents previously considered incompatible with Gr to achieve reversible lithiation/delithiation. However, the long cyclability of LIBs is still subject to the intrinsic properties of the solvent species in LHCEs. Such issue can be readily resolved by introducing a small amount of additive into LHCEs. The synergetic decompositions of Li salt, solvating solvent and additive yield effective SEIs and cathode electrolyte interphases (CEIs) in most of the studied LHCEs. This study reveals that both the structure and the composition of solvation sheaths in LHCEs have significant effect on SEI and CEI, and consequently, the cycle life of energetically dense LIBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Upcycling Polyethylene Waste Into Hybrid Graphitic Porous Carbon Materials Used in High-Performance Zinc-Ion Hybrid Capacitors

Polyethylene (PE) waste is a challenge to upcycle into useful materials because this plastic tends to decompose into volatile compounds when heated at relatively low temperatures. In this work, we report a chemical process that addresses this challenge by converting mixtures of linear low-density polyethylene (LLDPE), low-density polyethylene (LDPE), and high-density polyethylene (HDPE) waste into a hybrid graphitic porous carbon (HGPC) that can be used as a zinc-ion hybrid capacitor cathode. The process uses a low temperature thermal oxidation pre-treatment step, with assistance of an inert solid additive (KCl) to increase the effective surface area of the PE melt, to functionalize, cross-link, and stabilize the PE waste followed by carbonization and catalytic graphitization steps at higher temperatures with a potassium carbonate (K2CO3) catalyst. The PE waste derived HPGC (PW-HPGC) has a hybrid structure composed of graphene-like carbon nanosheets grown on the surface of carbon particles, high porosity with the Brunauer–Emmett–Teller (BET) specific surface area up to 1,763 m2g-1, and good graphitic degree with average Raman I2D/IG ratios of 0.53. When used as a cathode material for zinc-ion hybrid capacitors, this PW-HGPC exhibits an excellent specific capacity up to 126.7 mAhg-1 at high mass loading of 10 mgcm-2. Moreover, PW-HGPC exhibits remarkable cycling stability with capacity retention of >94% after 10,000 cycles at a current density of 2.0 A g-1.

hybrid graphitic porous carbon↗
DOE OSTI2023

Reinforcement learning-based design of shape-changing metamaterials

During the last decade, artificially architected materials have been designed to obtain properties unreachable by naturally occurring materials, whose properties are determined by their atomic structure and chemical composition. In this work, we implement a new reinforcement learning (RL) method able to rationally design unique metamaterial structures at the nano-, micro-, and macroscale, which change shape during operational conditions. As an example, we apply this method to design nanostructured silicon anodes for Li-ion batteries (LIBs). The RL model is designed to apply different actions and predict change during operational conditions. The multi-component reward function comprises an increase in the total storage capacity of the resulting battery electrode and structural parameters, such as the minimum distance between the individual components of the nanostructure. Upon experimental validation using a polymer-based 3D printing technique, we expect that the newly discovered structures improve the current Si-based LIB anodes state-of-the-art by almost three times and almost ten times the current commercial LIB based on a graphitic anode. Furthermore, this RL-based optimization method opens up vast design space for other responsive metamaterials with tailored properties and pre-programmed structural transformation.

25 ENERGY STORAGE↗
DOE OSTI2015

Sintered tantalum carbide coatings on graphite substrates: Highly reliable protective coatings for bulk and epitaxial growth

Highly reliable low-cost protective coatings have been sought after for use in crucibles and susceptors for bulk and epitaxial film growth processes involving wide bandgap materials. Here, we propose a production technique for ultra-thick (50–200 μmt) tantalum carbide (TaC) protective coatings on graphite substrates, which consists of TaC slurry application and subsequent sintering processes, i.e., a wet ceramic process. Structural analysis of the sintered TaC layers indicated that they have a dense granular structure containing coarse grain with sizes of 10–50 μm. Furthermore, no cracks or pinholes penetrated through the layers, i.e., the TaC layers are highly reliable protective coatings. The analysis also indicated that no plastic deformation occurred during the production process, and the non-textured crystalline orientation of the TaC layers is the origin of their high reliability and durability. The TaC-coated graphite crucibles were tested in an aluminum nitride (AlN) sublimation growth process, which involves extremely corrosive conditions, and demonstrated their practical reliability and durability in the AlN growth process as a TaC-coated graphite. The application of the TaC-coated graphite materials to crucibles and susceptors for use in bulk AlN single crystal growth, bulk silicon carbide (SiC) single crystal growth, chemical vapor deposition of epitaxial SiC films, and metal-organic vapor phase epitaxy of group-III nitrides will lead to further improvements in crystal quality and reduced processing costs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The formation and structure of iron-dominated planetesimals

Metal-rich asteroids and iron meteorites are considered core remnants of differentiated planetesimals and/or products of oxygen-depleted accretion. Investigating the origins of iron-rich planetesimals could provide key insights into planet formation mechanisms. Using differentiation models, we evaluate the interior structure and composition of representative-sized planetesimals (~200 km diameter), while varying oxygen fugacity and initial bulk meteoritic composition. Under the oxygen-poor conditions that likely existed early in the inner regions of the Solar System and other protoplanetary disks, core fractions remain relatively consistent across a range of bulk compositions (CI, H, EH, and CBa). Some of these cores could incorporate significant amounts of silicon (10–30 weight%) and explain the metal fractions of Fe-rich bodies in the absence of mantle stripping. Conversely, planetesimals forming under more oxidizing conditions, such as beyond snow lines, could exhibit smaller cores, enriched in carbon, sulfur (>1 wt%), and oxides. Sulfur-rich cores, like those formed from EH and H bulk compositions, could remain partly molten, sustain dynamos, and even drive sulfur-rich volcanism. Additionally, bodies with high carbon contents, such as CI compositions, can form graphitic outer layers. These variations highlight the importance of initial formation conditions in shaping planetesimal structures. Future missions, such as NASA’s Psyche mission, offer an opportunity to measure the relative abundances of key elements (Fe, Ni, Si, and S) necessary to distinguish among formation scenarios and structure models for Fe-rich and reduced planetesimals.

meteorites↗
DOE OSTI2023

Ab initio structural dynamics of pure and nitrogen-containing amorphous carbon

Abstract Amorphous carbon (a-C) has attracted considerable interest due to its desirable properties, which are strongly dependent on its structure, density and impurities. Using ab initio molecular dynamics simulations we show that the sp 2 /sp 3 content and underlying structural order of a-C produced via liquid quenching evolve at high temperatures and pressures on sub-nanosecond timescales. Graphite-like densities ( $$\lesssim$$ ≲ 2.7 g/cc) favor the formation of layered arrangements characterized by sp 2 disordered bonding resembling recently synthesized monolayer amorphous carbon (MAC), while at diamond-like densities ( $$\gtrsim$$ ≳ 3.3 g/cc) the resulting structures are dominated by disordered tetrahedral sp 3 hybridization typical of diamond-like amorphous carbon (DLC). At intermediate densities the system is a highly compressible mixture of coexisting sp 2 and sp 3 regions that continue to segregate over 10’s of picoseconds. The addition of nitrogen (20.3%) (a-CN) generates major system features similar with those of a-C, but has the unexpected effect of reinforcing the thermodynamically disfavored carbon structural motifs at low and high densities, while inhibiting phase separation in the intermediate region. At the same time, no nitrogen elimination from the carbon framework is observed above $$\simeq$$ ≃ 2.8 g/cc, suggesting that nitrogen impurities are likely to remain embedded in the carbon structures during fast temperature quenches at high pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗