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All sources NASA NTRS DOE OSTI

NASA NTRS1990

High-temperature polymer matrix composites

Polymers research at the NASA Lewis Research Center has produced high-temperature, easily processable resin systems, such as PMR-15. In addition, the Polymers Branch has investigated ways to improve the mechanical properties of polymers and the microcracking resistance of polymer matrix composites in response to industry need for new and improved aeropropulsion materials. Current and future research in the Polymers Branch is aimed at advancing the upper use temperature of polymer matrix composites to 700 F and beyond by developing new resins, by examining the use of fiber reinforcements other than graphite, and by developing coatings for polymer matrix composites to increase their oxidation resistance.

Meador, Michael A.↗

NASA NTRS1991

Characterization of selected LDEF polymer matrix resin composite materials

The characterization of selected graphite fiber reinforced epoxy (934 and 5208) and polysulfone (P1700) matrix resin composite materials which received 5 years and 10 months of exposure to the LEO environment on the Long Duration Exposure Facility is reported. Resin loss and a decrease in mechanical performance as well as dramatic visual effects were observed. However, chemical characterization including infrared, thermal, and selected solution property measurements showed that the molecular structure of the polymeric matrix had not changed significantly in response to this exposure. The potential effect of a silicon-containing molecular contamination of these specimens is addressed.

Young, Philip R.↗

NASA NTRS2006

Thermal Conductivity of Polymer/Nano-filler Blends

To improve the thermal conductivity of an ethylene vinyl acetate copolymer, Elvax 260 was compounded with three carbon based nano-fillers. Multiwalled carbon nanotubes (MWCNT), vapor grown carbon nanofibers (CNF) and expanded graphite (EG) were investigated. In an attempt to improve compatibility between the Elvax and nanofillers, MWCNTs and EGs were modified through non covalent and covalent attachment of alkyl groups. Ribbons were extruded to form samples in which the nanofillers were aligned, and samples were also fabricated by compression molding in which the nano-fillers were randomly oriented. The thermal properties were evaluated by DSC and TGA, and mechanical properties of the aligned samples were determined by tensile testing. The degree of dispersion and alignment of the nanoparticles were investigated using high-resolution scanning electron microscopy. Thermal conductivity measurements were performed using a Nanoflash technique. The thermal conductivity of the samples was measured in both the direction of alignment as well as perpendicular to that direction. The results of this study will be presented.

Ghose, Sayata↗

DOE OSTI2025

Interpretation of wide-angle x-ray diffraction patterns from mesophase pitch-based carbon fibers – a simulation and experimental study

Carbon fiber is a critical material in a wide range of industries, where it is highly valued for its high specific strength/stiffness, excellent wear resistance, efficient electrical and thermal transport properties, chemical resistance, and low coefficient of thermal expansion. The properties of a specific carbon fiber are closely tied to its structural characteristics at all length scales. Here, in this work, we applied wide-angle x-ray diffraction to a set of heat-treated mesophase pitch-based carbon fibers, with the goal of elucidating the crystalline structures as a function of fiber orientation. To assist with analysis and interpretation of the experimental data, we employed diffraction pattern simulations using the scalar and vector forms of the Debye scattering equation to determine the influence of basal plane orientation, crystalline ordering (turbostratic-graphitic), and basal plane asymmetry on the diffraction patterns. The results presented here suggest that growth of the transverse crystallites in mesophase pitch-based carbon fiber is fixed until graphitization temperatures are reached. The work completed here provides a framework for the analysis of carbon fiber and other oriented carbon-based materials via diffraction.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Influence of Calendering on the Electrochemical Performance of LiNi 0.9 Mn 0.05 Al 0.05 O 2 Cathodes in Lithium-Ion Cells

Electrode calendering is a necessary process used in industry to improve the volumetric capacity of lithium-ion batteries. However, calendering high-nickel cathodes leads to electrode particle pulverization, raising concerns of a reduced cycle life due to parasitic side reactions. We present here an investigation of the impact of calendering on the morphology and electrochemical performance of the cobalt-free layered oxide cathode LiNi 0.9 Mn 0.05 Al 0.05 O 2 (NMA-90). We find that secondary particle pulverization and fusion simultaneously occur at sufficiently high pressures. The initial surface area of the cathode is shown to increase with the degree of calendering, despite the higher likelihood of secondary particle fusion. Long-term cycling of full coin cells assembled with the NMA-90 cathode and the graphite anode indicates that cells with higher degrees of cathode calendering exhibit lower capacity fade compared to uncalendered cathodes. Hybrid pulse-power tests demonstrate that the usable capacity range of cells with calendered cathodes far exceeds those with uncalendered cells after long-term cycling. The improved capacity retention and pulse-power performance are attributed to the enhanced mechanical properties of the electrode after calendering that prevents loss of the primary particle contact during long-term cycling. As a result, we find that calendering high-nickel NMA-90 to industrially relevant densities does not have a detrimental effect on capacity fade, marking an important step toward commercial adoption.

25 ENERGY STORAGE↗

DOE OSTI2023

Parametric Study of Lithium-Ion Batteries using BatPaC (Final Report)

The Battery Performance and Cost Model (BatPaC) is a tool developed by Argonne National Laboratory to design lithium-ion battery (LIB) packs for automotive applications. The material demand and design specifications are used to estimate the cost of manufacturing the battery pack in a large volume production plant (5-50 GWh/year). With the option to select from various electrode chemistries and materials with their associated properties and prices, the resultant battery pack mass, volume, and cost can vary considerably. This report is the result of a parametric sensitivity study that helps identify the key parameters and prices that affect the battery metrics – the specific energy (Wh/kg) and the pack cost ($/kWh). The study was conducted with LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) and graphite (G) electrodes as the baseline materials used in a battery pack for a 300-mile range battery electric vehicle (BEV300) and a 50-mile range plug-in hybrid electric vehicle (PHEV50).

25 ENERGY STORAGE↗

NASA NTRS1978

Reproducibility of structural strength and stiffness for graphite-epoxy aircraft spoilers

Structural strength reproducibility of graphite epoxy composite spoilers for the Boeing 737 aircraft was evaluated by statically loading fifteen spoilers to failure at conditions simulating aerodynamic loads. Spoiler strength and stiffness data were statistically modeled using a two parameter Weibull distribution function. Shape parameter values calculated for the composite spoiler strength and stiffness were within the range of corresponding shape parameter values calculated for material property data of composite laminates. This agreement showed that reproducibility of full scale component structural properties was within the reproducibility range of data from material property tests.

Howell, W. E.↗

NASA NTRS1987

Toughened composites; Proceedings of the Symposium, Houston, TX, Mar. 13-15, 1985

The papers presented in this volume provide an overview of current research aimed at the development of tougher high-performance continuous graphite fiber composites for aerospace applications. Topics discussed include toughened composites selection criteria, micromechanisms of fracture in toughened graphite/epoxy laminates, the characterization of edge delamination growth in laminates under fatigue loading, and rate effects on delamination fracture toughness of a toughened graphite/epoxy. Papers are also presented on the development of residual thermal stresses in amorphous and semicrystalline thermoplastic matrix composites, structural property improvements through hybridized composites, and screening of advanced matrix resin systems in high performance aircraft.

Johnston, Norman J.↗

NASA NTRS1973

Ablation of ATJ Graphite at High Temperatures

Results of an extensive experimental program on the ablation of ATJ graphite in air at surface pressures of 0.3 to 4.4 atm and surface temperatures of 2570 to 4030 K are presented. The measured mass-loss rates are correlated with surface temperature, pressure, and effective nose radius. The results are compared with several equilibrium thermochemical ablation theories which differ basically in the chemical species that are considered and in the thermodynamic properties assigned to these species. All the theories predict about the same mass-loss rate in the diffusion-controlled oxidation regime and are in good agreement with the experimental results. At higher temperatures, however, the experimental and theoretical results do not agree. At temperatures above 3700 K, the experimental mass-loss rate becomes independent of pressure and an exponential function of temperature. A comparison of the high-temperature results with the theories indicates that all the theories, except the one based on the thermodynamic properties from the JANAF tables, are invalid because they overpredict the mass-loss rate. On the other hand, the theory based on the JANAF properties underpredicts the measured mass-loss rate by a factor of three at 4000 K. At least a portion of this difference between experiment and theory is attributed to particulate mass loss which is visually observed.

Thermochemical ablation↗

DOE OSTI2026

Ultra-Low Amounts of Transition Metals in Carbon-Based Catalysts Improve Their Alkaline OER Performance: A Systematic Study

The pursuit of green hydrogen production highlights a persistent gap in electrocatalyst research: while academic efforts prioritize cost-efficiency via activity enhancement, industrial viability demands greater emphasis on electrochemical stability. Carbon-based electrocatalysts, particularly those incorporating transition metals, have shown promise in alkaline oxygen evolution (OER) due to their high activity, cost-efficiency, and resource-efficiency. However, these catalysts suffer from insufficient stability under oxidizing conditions compared to pure transition metal catalysts due to erosion of the carbon support resulting from carbon corrosion, among other degradation mechanisms. In this systematic study, the influence of ultra-low amounts (<1 wt %) of iron, cobalt, nickel, and their most common combinations on the stability of a hydrothermally derived, N-doped carbon support and the overall catalyst performance during alkaline OER is systematically explored. By identifying critical stability descriptors and correlating them with synthesis conditions and catalyst properties, primary and secondary corrosion pathways are unraveled. Subsequently, through careful adjustment of carbonization temperature and composition of incorporated transition metals, overall catalyst corrosion can be suppressed immensely. Especially, the inclusion of Ni and Fe is paramount for the formation of stable catalyst materials under laboratory conditions (10 mA/cm 2 in 0.1 M KOH), which is surprisingly unconstrained by the degree of graphitization of the carbon support. Mixing this electrochemically stable material with a graphitic carbon powder results in an excellent stability of over 400 h at 100 mA/cm 2 in 1 M KOH, implying great potential for the future improvement of carbon-based electrodes under oxidizing conditions toward industrial application.

N-doped carbon↗

DOE OSTI2022

Cost-effective carbon fiber precursor selections of polyacrylonitrile-derived blend polymers: carbonization chemistry and structural characterizations

Blending polyacrylonitrile (PAN) with plastic wastes and bio-based polymers provides a convenient and inexpensive method to realize cost-effective carbon fiber (CF) precursors. In this work, PAN-based blend precursors are investigated using ReaxFF reactive molecular dynamics simulations with respect to the formation of all-carbon rings, the evolutions of oxygen-containing and nitrogen-containing species, and the migration of carbon atoms to form turbostratic graphene. From these simulations, we identify that PAN/cellulose (CL) blend manifests the highest carbon yield and the most substantial all-carbon ring formation. This ReaxFF-based finding is confirmed by Raman and TEM experiments indicating high crystallinity for PAN/CL-derived blend CFs. We trace the pathway of gasification and carbonization of PAN/CL to elaborate the mechanism of the formation of all-carbon ring networks. We discover that the acetals of CL can catalyze the cyclization of the blend precursor, allowing for the search for CL derivatives or the other kinds of bio-based polymers with similar functionalities as alternative blends. In addition, we examine the structural characteristics using the carbon–carbon (C–C) radial distribution functions, C–C bond length distributions, and sp2 C atom ratios for the four representative precursors, i.e., PAN, oxidized PAN, PAN/nylon 6,6, and PAN/CL. Our simulation results show the most extensive all-carbon ring cluster and graphitic structure growths for PAN/CL. Here, we propose PAN/CL as a cost-effective alternative CF precursor, since (a) CL is naturally abundant and eco-friendly for production, (b) the blend precursor PAN/CL does not require oxidation treatment, (c) PAN/CL has a high carbon yield with substantial all-carbon ring formation, and (d) PAN/CL based CFs potentially provide a mechanical property enhancement.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Matrix Resin Characterization in Cured Graphite Composites Using Diffuse Reflectance-Ftir

The chemical characterization of cured graphite fiber reinforced polymer matrix composites is complicated by the fact that the resins are insoluble and the composites are apaque. Standard analyses which depend either on the ability to dissolve the sample or to detect transmitted radiation are impossible. As a result, data reported on environmentally exposed composites primarily concern macroscopic information such as weight loss or changes in selected mechanical properties. Diffuse reflectance in combination with fourier transform infrared spectroscopy was developed to gain a basic chemical understanding of composite and adhesive behavior. Several composite and adhesive materials were characterized before and after environmental exposure. In each case significant changes in resin molecular structure were observed and correlated with changes in mechanical properties, providing new insights into material performance.

Young, P. R.↗

NASA NTRS1983

Resin characterization in cured graphite fiber reinforced composites using diffuse reflectance-FTIR

The feasibility of using diffuse reflectance in combination with Fourier transform infrared spectroscopy to obtain information on cured graphite fiber reinforced polymeric matrix resin composites was investigated. Several graphite/epoxy, polysulfone, and polyimide composites exposed to thermal or radiation environments were examined. An experimental polyimide-sulfone adhesive tape was also studied during processing. In each case, significant changes in resin molecular structure was observed due to environmental exposure. These changes in molecular structure were correlated with previously observed changes in material properties providing new insights into material behavior.

Young, P. R.↗

NASA NTRS1985

Space radiation effects on an elastomer-toughened epoxy-graphite composite

An elastomer-toughened epoxy-graphite composite system (CE339/T300) was evaluated for its potential durability in the space radiation environment. The physical and chemical response of this system was characterized following exposure to radiation doses equivalent to 20 to 30 years in geosynchronous orbit using 1 MeV electrons. The results show that electrons generate extensive crosslinking and embrittlement of the matrix. This embrittlement results in chemical and mechanical property changes that would limit the service life of this epoxy system in some space structure applications.

Sykes, G. F.↗

NASA NTRS1988

The nature and origin of interstellar diamond

The C-delta component of the Allende meteorite is a microscopic diamond some of whose properties seem in conflict with those expected of diamond. High spatial resolution analytical data are presented here which may help explain such results. Surface and interfacial carbon atoms in the component, which may comprise as much as 25 percent of the total, impart an 'amorphous' character to some spectral data. These data support the proposed high-pressure conversion of amorphous carbon and graphite into diamonds due to grain-grain collisions in the ISM, although a low-pressure mechanism of formation cannot be ruled out.

Blake, David F.↗

NASA NTRS1989

Graphite/polyimide composites with improved toughness

Studies were performed to determine the toughness characteristics of composites prepared from modified addition-type polyimides, using Celion 6000 graphite fiber as the reinforcement. The polyimides were prepared from aromatic diamines containing flexibilizing ether connecting groups. The composite flexural and short beam shear strengths were determined at room temperature and elevated temperatures. Composite toughness was evaluated using 10 deg off axis tensile tests and double cantilever beam fracture tests at room temperature. The effects of the flexibilized resin structure on composite mechanical properties, toughness characteristics, and thermo-oxidative stability are discussed.

Delvigs, Peter↗

DOE OSTI2025

High‐Temperature Single‐Photon Emission From Covalently Functionalized van der Waals Heterostructures

Two-dimensional (2D) transition metal dichalcogenides (TMDs) such as tungsten diselenide (WSe 2 ) are attractive nanomaterials for quantum information applications due to single-photon emission (SPE) from intrinsic atomic defects. Defect and strain engineering techniques have been developed to produce high purity, deterministically placed SPE in WSe 2 . However, a major challenge in the application of these techniques is the low temperature required to observe defect-bound TMD exciton emission, typically limiting SPE to T < 30 K. SPE at higher temperatures either loses purity or requires integration into complex devices such as optical cavities. Here, 2D heterostructure engineering and molecular functionalization are combined to achieve high purity (>90%) SPE in strained WSe 2 persisting to over T = 90 K. Covalent diazonium functionalization of graphite in layered WSe 2 /graphite heterostructures maintains high purity up to T = 90 K and single-photon source integrity up to T = 115 K. This method preserves the best qualities of SPE from WSe 2 while increasing working temperature to more than three times the typical range. This work demonstrates the versatility of surface functionalization and heterostructure design to synergistically improve the properties of quantum emission and offers new insights into the phenomenon of SPE from 2D materials.

2D materials↗

DOE OSTI2021

Nanoscale lattice dynamics in hexagonal boron nitride moiré superlattices

Twisted two-dimensional van der Waals (vdW) heterostructures have unlocked a new means for manipulating the properties of quantum materials. The resulting mesoscopic moiré superlattices are accessible to a wide variety of scanning probes. To date, spatially-resolved techniques have prioritized electronic structure visualization, with lattice response experiments only in their infancy. Here, we therefore investigate lattice dynamics in twisted layers of hexagonal boron nitride (hBN), formed by a minute twist angle between two hBN monolayers assembled on a graphite substrate. Nano-infrared (nano-IR) spectroscopy reveals systematic variations of the in-plane optical phonon frequencies amongst the triangular domains and domain walls in the hBN moiré superlattices. Our first-principles calculations unveil a local and stacking-dependent interaction with the underlying graphite, prompting symmetry-breaking between the otherwise identical neighboring moiré domains of twisted hBN.

36 MATERIALS SCIENCE↗