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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Scaling-Up of Nano-Architected Microstructures: A Mechanical Assessment

Nano– and micro–architected materials generated by ultra–high–resolution 3D printing techniques, such as two–photon polymerization direct laser writing (TPP–DLW) or projection micro–stereolithography (PμSL), have garnered great interest due to their ability to achieve exceptional combinations of material properties. The scalability of these materials, however, remains a crucial challenge as larger high–resolution samples require stitching smaller blocks of the structure of interest together. Herein, scaling techniques and testing methodologies to investigate the effect of stitching on the integrity and mechanical behavior of TPP–DLW parts under tensile load are explored. Specifically, stitched log–pile I–beam specimens with relative densities of 21.5% and 54.7% are tested herein. The micro–tensile tests reveal that the higher–density log–pile samples exhibit brittle behavior with fracture loads at least four times higher than those of lower–density samples. The location of sample failure depends on the type of stitch introduced in the sample, as well as on the relative sample density. Altogether, this study highlights the importance of stitching techniques and relative density for the design of nano– and micro–architected materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microstructure–Property Correlation in a Laser Powder Bed Fusion Processed High-Strength AF-9628 Steel

Laser powder bed fusion additive manufacturing (LPBF-AM) of a low-alloy, high-performance AF-9628 steel results in exceptionally high strength and good ductility. The reasons for such mechanical properties are investigated through detailed microscopy performed at several length scales. Thus, the characterization of melt pool, porosity, grain morphology, phases, and dislocations is performed in the as-printed material. The as-printed material consists of only 0.004 vol% of uniformly distributed porosity, single-phase martensitic laths with an average lath size of ≈2.5 μm, the absence of carbides indicating interstitial trapping of C atom, and high dislocation density in the martensitic laths. Experimental data through microscopy are then fed in analytical models for calculating strengthening contributions from various strengthening mechanisms. Calculated yield strength agrees well with experimentally determined value, and therefore, activation of various strengthening mechanisms is established in as-printed AF-9628.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Selective Heating Through Y-Junction Waveguide Designed by Acoustic Shape Optimization

Unlike phononic crystals or systems designed by topology optimization, waveguides designed by shape optimization do not have voids or internal defects, making the fabrication process more suitable for additive manufacturing. By designing a Y-junction waveguide through shape optimization, an ultrasonic wave can be controlled so that it propagates to a predetermined location just by adjusting its frequency. These demultiplexed ultrasonic waves can be used to transport signals or stimulate nearby materials. As an example, the ultrasonic wave is converted to heat at different locations, which can be applied to mechanisms that can take advantage of heating. First, shape optimization is performed on a cylindrical structure to selectively propagate ultrasonic waves of a particular frequency while attenuating others, which is analyzed through a finite element model. The numerical study results are compared with experimental measurements from samples fabricated through additive manufacturing methods. After verifying the concept, the Y-junction waveguide is fabricated to demultiplex the wave and selectively heat different locations. Here the results show that the method of combining shape optimization with additive manufacturing is exceptionally simple and capable of demultiplexing ultrasonic waves, which can replace complex electrical components with single-material waveguides.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hierarchical Cellulose Superinsulation Membrane

The environment-friendly components coupled with the ability to mimic the simplicity and originality of nature necessitate advanced sustainable materials with structural capabilities for energy-efficient applications. The use of feedstock deriving from plant-based, renewable organic material to produce nanofibril that embodies enhanced insulating properties and high mechanical strength constitutes an efficient development strategy. In this work, a free-standing, hierarchical superinsulation membrane by leveraging the principle of the bottom-up method is reported. The electrospun cellulose nanofibrils/aerogel-based core layer provides exceptional thermal properties with its thermal conductivity of 10.2 mW m –1 K –1 . The lightweight, flexible, and durable paper-like membrane features a tensile strength of 11.3 MPa and a bending rigidity in the order of 4.6 cN mm –1 . The hydrophobic superinsulation membrane material also exhibits a ΔT of ≈25 °C under continuous sunlight illumination and allows thermal runaway mitigation of rechargeable lithium-ion batteries. All the aforementioned properties position this hybrid superinsulation membrane as a promising material for energy-saving thermal management applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Additive Manufacturing of Self‐Sensing Carbon Fiber Composites

Carbon fiber-reinforced polymer (CFRP) composites have gained substantial attention across various industries owing to their exceptional mechanical properties and lightweight nature. The emergence of additive manufacturing technologies brings new opportunities to the industry, offering advantages such as design freedom, rapid prototyping, and customization. However, the fabrication of CFRP composites through 3D printing techniques poses challenges pertaining to low resolution and limitations in complex geometry realization. This work introduces digital light processing printing as a versatile, high-resolution method ideal for CFRP composite fabrication. Furthermore, the development and characterization of CFRP are focused on and the manipulation of mechanical properties through variations in matrix resins and fiber loadings is investigated, showcasing the versatility of CFRP composites for tailored applications. Additionally, the integration of self-sensing capabilities in CFRP structures is explored, which opens up opportunities for applications in smart components for automotive and structural health monitoring.

carbon fiber composites↗
DOE OSTI2016

Stiff and Transparent Multilayer Thin Films Prepared Through Hydrogen-Bonding Layer-by-Layer Assembly of Graphene and Polymer [Super Stiff and Highly Transparent Multilayer Thin Films Prepared through Hydrogen-Bonding Layer-by-Layer Assembly of Graphene and Polymer]

Due to their exceptional orientation of 2D nanofillers, layer–by–layer (LbL) assembled polymer/graphene oxide thin films exhibit unmatched mechanical performance relative to any conventionally produced counterparts with similar composition. Unprecedented mechanical property improvement, by replacing graphene oxide with pristine graphene, is demonstrated in this work. Polyvinylpyrrolidone–stabilized graphene platelets are alternately deposited with poly(acrylic acid) using hydrogen bonding assisted LbL assembly. Transmission electron microscopy imaging and the Halpin–Tsai model are used to demonstrate, for the first time, that intact graphene can be processed from water to generate polymer nanocomposite thin films with simultaneous parallel–alignment, high packing density, and exfoliation. A multilayer thin film with only 3.9 vol% of highly exfoliated, and structurally intact graphene, increases the elastic modulus (E) of a polymer multilayer thin film by 322% (from 1.41 to 4.81 GPa), while maintaining visible light transmittance of ≈90%. This is one of the greatest improvements in elastic modulus ever reported for a graphene–filled polymer nanocomposite with a glassy (E > 1 GPa) matrix. In conclusion, the technique described here provides a powerful new tool to improve nanocomposite properties (mechanical, gas transport, etc.) that can be universally applied to a variety of polymer matrices and 2D nanoplatelets.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Anode-Free Rechargeable Lithium Metal Batteries

Anode-free rechargeable lithium (Li) batteries (AFLBs) are phenomenal energy storage systems due to their significantly increased energy density and reduced cost relative to Li-ion batteries, as well as ease of assembly owing to the absence of an active (reactive) anode material. However, significant challenges, including Li dendrite growth and low cycling Coulombic efficiency (CE), have prevented their practical implementation. Here, we report for the first time an anode-free rechargeable lithium battery based on a Cu||LiFePO4 cell structure with an extremely high CE (> 99.8%). This results from the utilization of both an exceptionally stable electrolyte and optimized charge/discharge protocols which minimize the corrosion of the in-situ formed Li metal anode.

anode-free↗
DOE OSTI2016

A Systematic Approach to Achieving High Performance Hybrid Lighting Phosphors with Excellent Thermal- and Photostability

We have designed and synthesized a family of high-performance inorganic-organic hybrid phosphor materials composed of extended and robust networks of one-, two- and three-dimensions. Following a bottom-up solution-based synthetic approach, these structures are constructed by connecting highly emissive Cu 4 I 4 cubic clusters via carefully selected ligands that form strong Cu-N bonds. They emit intensive yellow-orange light with high luminescence quantum efficiency, coupled with large Stokes shift which greatly reduces self-absorption. They also demonstrate exceptionally high framework- and photo-stability, comparable to those of commercial phosphors. The high stabilities are the result of significantly enhanced Cu-N bonds, as confirmed by the DFT binding energy and electron density calculations. Possible emission mechanisms are analyzed based on the results of theoretical calculations and optical experiments. Two-component white phosphors obtained by blending blue and yellow emitters reach an internal quantum yield (IQY) as high as 82% and correlated color temperature (CCT) as low as 2534 K. The performance level of this sub-family exceeds all other types of Cu-I based hybrid systems. The combined advantages make them excellent candidates as alternative rare-earth element (REE) free phosphors for possible use in energy-efficient lighting devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

High-Performance Near-IR Photodetector Using Low-Bandgap MA 0.5 FA 0.5 Pb 0.5 Sn 0.5 I 3 Perovskite

Photodetectors with ultrafast response are explored using inorganic/organic hybrid perovskites. High responsivity and fast optoelectronic response are achieved due to the exceptional semiconducting properties of perovskite materials. However, most of the perovskite-based photodetectors exploited to date are centered on Pb-based perovskites, which only afford spectral response across the visible spectrum. This study demonstrates a high-performance near-IR (NIR) photodetector using a stable low-bandgap Sn-containing perovskite, (CH 3 NH 3 ) 0.5 (NH 2 CHNH 2 ) 0.5 Pb 0.5 Sn 0.5 I 3 (MA 0.5 FA 0.5 Pb 0.5 Sn 0.5 I 3 ), which is processed with an antioxidant additive, ascorbic acid (AA). The addition of AA effectively strengthens the stability of Sn-containing perovskite against oxygen, thereby significantly inhibiting the leakage current. Consequently, the derived photodetector shows high responsivity with a detectivity of over 10 12 Jones ranging from 800 to 970 nm. Such low-cost, solution processable NIR photodetectors with high performance show promising potential for future optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC)

Metastable amorphous precursors are emerging as valuable intermediates for the synthesis of materials with compositions and structures far from equilibrium. Recently, it was found that amorphous calcium barium carbonate (ACBC) can be converted into highly barium-substituted “balcite,” a metastable high temperature modification of calcite with exceptional hardness. A systematic analysis ACBC (Ca 1-x Ba x CO 3 ·1.2H 2 O) in the range from x = 0–0.5 is presented. Combining techniques that independently probe the local environment from the perspective of calcium, barium, and carbonate ions, with total X-ray scattering and a new molecular dynamics/density functional theory simulations approach, provides a holistic picture of ACBC structure as a function of composition. With increasing barium content, ACBC becomes more ordered at short and medium range, and increasingly similar to crystalline balcite, without developing long-range order. This is not accompanied by a change in the water content and does not carry a significant energy penalty, but is associated with differences in cation coordination resulting from changing carbonate anion orientation. Therefore, the local order imprinted in ACBC may increasingly lower the kinetic barrier to subsequent transformations as it becomes more pronounced. This pathway offers clues to the design of metastable materials by tuning coordination numbers in the amorphous solid state.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mass Transfer and Reaction Kinetic Enhanced Electrode for High‐Performance Aqueous Flow Batteries

Abstract A scalable and efficient process to modify electrodes with enhanced mass transfer and reaction kinetics is critical for redox flow batteries (RFBs). For the first time, this work introduces electrochemical exfoliation as a surface modification method of graphite felt (GF) to enhance the mass transfer and reaction kinetics in RFBs. Anion intercalation and subsequent gas evolutions at room temperature for one minute expand the graphite layers that increase the electrode surface area. Meanwhile, sufficient oxygen functional groups are introduced to the electrode, resulting in enhanced reaction kinetics and improved hydrophilicity. Further, spin‐polarized density functional theory is employed to reveal the role of oxygen functional groups in accelerating the vanadium redox reaction. Benefitting from sufficient oxygen groups, larger surface area, and superior wettability, the as‐prepared exfoliated GF (E‐GF) shows exceptional electrocatalytic activity with minimized overpotential, higher volumetric capacity, and improved energy efficiency. The redox flow battery assembled with the E‐GF electrode delivers voltage and energy efficiencies of 89.72% and 86.41% at the current density of 100 mA cm −2 , respectively. Remarkably, compared to the traditional GF treatment method, the elimination of the high temperature and long‐time treatment processes make this approach much more energy and time efficient, scalable, and affordable for large‐scale manufacturing.

Mukhopadhyay, Alolika↗
DOE OSTI2019

Design of Ultrastiff Organosilicate Hybrid Glasses

Hyperconnected hybrid organosilicate glass networks formed by hyperstiff precursor molecules with certain geometrical characteristics can lead to exceptional elastic properties superior to that of fully dense silica. Carbon- and silicon-containing precursors with defined molecular planarity are introduced and a new design strategy where both the network connectivity and the precursor geometry are effectively utilized to enhance elastic properties is proposed. The geometrical features rendering a precursor molecule as hyperstiff are identified through molecular dynamics simulations and constraint analyses by calculating the degree of nonaffine deformations. Nonaffine deformations have not been previously examined for organosilicate hybrid glass networks and are a fundamental new approach to reveal the combined impact of precursor geometry and connectivity on the mechanical behavior of hybrid glass networks.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Universal Seeding Strategy to Synthesize Single Atom Catalysts on 2D Materials for Electrocatalytic Applications

Abstract Single‐atom catalysts (SACs) are attracting significant attention due to their exceptional catalytic performance and stability. However, the controllable, scalable, and efficient synthesis of SACs remains a significant challenge. Herein, a new and versatile seeding approach is reported to synthesize SACs supported on different 2D materials such as graphene, boron nitride (BN), and molybdenum disulfide (MoS 2 ). This method is demonstrated on the synthesis of Ni, Co, Fe, Cu, Ag, Pd single atoms as well as binary atoms of Ni and Cu codoped on 2D support materials with the mass loading of single atoms in the range of 2.8–7.9 wt%. In particular, the applicability of the new seeding strategy in electrocatalysis is demonstrate on nickel SACs supported on graphene oxide (SANi‐GO), exhibiting excellent catalytic performance for electrochemical CO 2 reduction reaction with a turnover frequency of 325.9 h −1 at a low overpotential of 0.63 V and high selectivity of 96.5% for CO production. The facile, controllable, and scalable nature of this approach in the synthesis of SACs is expected to open new research avenues for the practical applications of SACs.

Zhao, Shiyong↗
DOE OSTI2019

Thermal Conductivity Reduction in a Nanophononic Metamaterial versus a Nanophononic Crystal: A Review and Comparative Analysis

Abstract The notion of a locally resonant metamaterial—widely applied to light and sound—has recently been introduced to heat, whereby the thermal conductivity is reduced primarily by intrinsic localized atomic vibrations rather than scattering mechanisms. This article reviews and analyzes this new emerging concept, termed nanophononic metamaterial (NPM), and contrasts it with the competing concept of a nanophononic crystal (NPC) in which thermal conductivity reduction is realized primarily via nanoscale Bragg scattering. Both the NPM and NPC core mechanisms require the presence of a sufficient level of wave behavior, which is possible when there is a relatively wide distribution of the phonon mean free path (MFP). Silicon serves as a perfect material to form NPMs and NPCs given its relatively large average phonon MFP. This offers a unique opportunity considering silicon's abundance and mature fabrication technology. It is shown in this comparative study that while both the NPM and NPC nanosystems may be rendered to serve as extreme insulators of heat, an NPM may do so without excessive reduction in the minimum feature size–which is key to keeping the electrical properties intact. This trait makes a silicon‐based NPM poised to serve as a low‐cost thermoelectric material with exceptional performance.

Hussein, Mahmoud I.↗
DOE OSTI2020

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

Abstract To achieve efficient ammonia synthesis via electrochemical nitrogen reduction reaction (NRR), a qualified catalyst should have both high specific activity and large active surface area. However, integrating these two merits into one single material remains a big challenge due to the difficulty in balancing multiple reaction intermediates. Here, it is demonstrated that the boron‐analogues of MXenes, namely “MBenes”, could cope with the challenge and achieve the high activity and large reaction region simultaneously toward NRR. Using extensive density functional theory computations and taking 16 MBenes as representatives, it is identified that seven MBenes (CrB, MoB, WB, Mo 2 B, V 3 B 4 , CrMnB 2 , and CrFeB 2 ) not only have intrinsic basal plane activity for NRR with limiting potentials ranging from −0.22 to −0.82 V, but also possess superior capability of suppressing the competitive hydrogen evolution reaction. Particularly, different from the MXenes whose surface oxidation may block the active sites, once oxidized, these MBenes can catalyze NRR via the self‐activating process, reducing O*/OH* into H 2 O* under reaction conditions, and favoring the N 2 electroreduction. As a result, the exceptional activity and selectivity, high active area (≈10 19 m −2 ), and antioxidation nature render these MBenes as pH‐universal catalysts for NH 3 production without introducing any dopants and defects.

Guo, Xiangyu↗
DOE OSTI2021

Carbon Free and Noble Metal Free Ni 2 Mo 6 S 8 Electrocatalyst for Selective Electrosynthesis of H 2 O 2

Electrocatalytic two-electron reduction of oxygen is a promising method for producing sustainable H 2 O 2 but lacks low-cost and selective electrocatalysts. Here, the Chevrel phase chalcogenide Ni 2 Mo 6 S 8 is presented as a novel active motif for reducing oxygen to H 2 O 2 in an aqueous electrolyte. Although it has a low surface area, the Ni 2 Mo 6 S 8 catalyst exhibits exceptional activity for H 2 O 2 synthesis with >90% H 2 O 2 molar selectivity across a wide potential range. Chemical titration verified successful generation of H 2 O 2 and confirmed rates as high as 90 mmol H 2 O 2 g cat –1 h –1 . The outstanding activities are attributed to the ligand and ensemble effects of Ni that promote H 2 O dissociation and proton-coupled reduction of O 2 to HOO*, and the spatial effect of the Chevrel phase structure that isolates Ni active sites to inhibit O—O cleavage. The synergy of these effects delivers fast and selective production of H 2 O 2 with high turn-over frequencies of ≈30 s –1 . Additionally, the Ni 2 Mo 6 S 8 catalyst has a stable crystal structure that is resistive for oxidation and delivers good catalyst stability for continuous H 2 O 2 production. The described Ni-Mo6S8 active motif can unlock new opportunities for designing Earth-abundant electrocatalysts to tune oxygen reduction for practical H 2 O 2 production.

36 MATERIALS SCIENCE↗