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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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Though two-dimensional (2D) electrically conducting metal–organic frameworks (cMOFs) have become prominent due to their numerous potential applications, their structures are often implied or assumed from rather crude powder X-ray diffraction data.
Aqueous carbon black (CB) slurries are promising for flow-electrode applications due to their low cost and high electrical conductivity. Here, in this study, we investigate the impact of introducing a nonionic surfactant (Tween 20) on the rheological and electrical properties of 5 wt % Vulcan XC72R CB slurries in a 50 mM NaCl aqueous solution. We observe a Tween 20 critical concentration around 1.2 wt % that triggers an abrupt transition from a conductive gel to a high-resistance Newtonian fluid. This sudden network collapse coincides with a 250-fold reduction in settled mass, a 1–2 order of magnitude drop in viscosity, and a nearly 100-fold decrease in slurry conductivity. Centrifuged pellet conductivity measurements support the conclusion that this performance loss is largely due to the destruction of the gel network, rather than increased particle-to-particle resistance. SEM imaging suggests that the network is built from large 10 to 50 μm agglomerates that are fully dissolved above the critical surfactant concentration. We found that subcritical surfactant addition improved slurry shelf stability over 90 days, but that electrochemical cell testing revealed progressive performance degradation during operation. These results highlight the need for strategies that maximize long-term electrical conductivity without compromising viscosity, sedimentation stability, or resistance to accumulation on internal surfaces.
Abstract Transparent conducting oxides (TCO) with high electrical conductivity and high visible light transparency are desired for a wide range of high‐impact engineering. Yet, usually, a compromise must be made between conductivity and transparency, limiting the practical application of a TCO to the next level. Furthermore, TCO performance is highly sensitive to composition, so conventional synthesis methods, such as chemical doping, cannot unravel the mysteries of the quantitative structure–performance relationship. Thus, improving the fundamental understanding or creating materials‐by‐design has limited success. Here, a strategy is proposed to modulate the lattice and electronic and optical properties precisely by applying pressure on a TCO. Strikingly, after compression–decompression treatment on the indium titanium oxides (ITiO), a highly transparent and metastable phase with two orders of magnitude enhancement in conductivity is synthesized from an irreversible phase transition. Moreover, this phase possesses previously unattainable filter efficiency on hazardous blue light up to 600 °C, providing potential for healthcare‐related applications with strong thermal stability up to 200 °C. These results demonstrate that pressure engineering is a clean and effective tool for tailoring functional materials that are not achievable by other means, providing an exciting alternative property‐tuning dimension in materials science.
An auto-generated thermoelectric-materials database is presented, containing 22,805 data records, automatically generated from the scientific literature, spanning 10,641 unique extracted chemical names. Each record contains a chemical entity and one of the seminal thermoelectric properties: thermoelectric figure of merit, ZT; thermal conductivity, κ; Seebeck coefficient, S; electrical conductivity, σ; power factor, PF; each linked to their corresponding recorded temperature, T. The database was auto-generated using the automatic sentence-parsing capabilities of the chemistry-aware, natural language processing toolkit, ChemDataExtractor 2.0, adapted for application in the thermoelectric-materials domain, following a rule-based sentence-simplification step. Data were mined from the text of 60,843 scientific papers that were sourced from three scientific publishers: Elsevier, the Royal Society of Chemistry, and Springer. To the best of our knowledge, this is the first automatically-generated database of thermoelectric materials and their properties from existing literature. The database was evaluated to have a precision of 82.25% and has been made publicly available to facilitate the application of data science in the thermoelectric-materials domain, for analysis, design, and prediction.
Theoretical considerations suggest that the strength of carbon nanotube (CNT) fibers be exceptional; however, their mechanical performance values are much lower than the theoretical values. To achieve macroscopic fibers with ultrahigh performance, we developed a method to form multidimensional nanostructures by coalescence of individual nanotubes. The highly aligned wet-spun fibers of single- or double-walled nanotube bundles were graphitized to induce nanotube collapse and multi-inner walled structures. These advanced nanostructures formed a network of interconnected, close-packed graphitic domains. Their near-perfect alignment and high longitudinal crystallinity that increased the shear strength between CNTs while retaining notable flexibility. The resulting fibers have an exceptional combination of high tensile strength (6.57 GPa), modulus (629 GPa), thermal conductivity (482 W/m·K), and electrical conductivity (2.2 MS/m), thereby overcoming the limits associated with conventional synthetic fibers.
The overall objective of this project was to use atomic layer deposition (ALD) to add modifiers to the surfaces of conventional Ni-YSZ cermet, solid oxide fuel cell (SOFC) anodes to enhance both their tolerance to hydrocarbon fuels by decreasing their propensity to form coke deposits, and to increase redox stability. Studies of the use of ALD to modify analogous supported metal powder catalysts were also added to the scope of the project in response to our industrial partner, Atrex going out of business. The initial portion of the program focused on designing and building the ALD reactor required for deposition of the oxide modifier films. Studies of the oxide modifier films on the coking tolerance and of redox properties of Ni-cermet anodes were then carried out. These studies demonstrated that while surface oxide modifiers were able to impart some coking resistance this only occurred for a relatively small range of operating conditions (e.g., temperature, steam-to-fuel ratio, etc.) and not at the level that would be required for operating in methane fuel at low steam-to-methane ratios. In light of this observation, we focused on assessing another approach to enhance anode coking resistance which eliminated bulk Ni from the anode. This approach made use of electronically conducting perovskite films to provide electrical conductivity in the anode, while using small amounts of Ni or other metals, such as Pt, deposited using ALD as the anode oxidation catalyst. This approach proved to be quite promising at both imparting coking resistance and redox stability.
The present disclosure relates to a hybrid opto-electrical module apparatus. The apparatus may have a module substrate having a plurality of electrically conductive circuit traces for carrying electrical signals, and at least one waveguide element for carrying optical signals. A waveguide substrate is in optical communication with the waveguide element. A transducer is supported on the waveguide substrate and in electrical communication with the circuit traces. The waveguide substrate has at least one three dimensional (3D) waveguide formed within its interior volume for routing optical signals between the waveguide element and the transducer. A first optical wirebond interfaces the waveguide element to the 3D waveguide, and a second optical wirebond interfaces the 3D waveguide to the transducer.
A system for providing selective adhesion printed circuit board (PCB) production comprises a conveyor mechanism, a curing system, and a computer. The conveyor mechanism is configured to convey a series of selective adhesion blanks, wherein each selective adhesion blank is utilized to produce a PCB and includes a flexible film, a substrate, a conductive layer, and a curable adhesive. The conductive layer is formed from electrically conductive material and adhered to the substrate. The curable adhesive is positioned between the flexible film and the conductive layer and is configured to selectively bond with the conductive layer when the curable adhesive is cured. The curing system is configured to cure the curable adhesive. The computer includes a processing element configured or programmed to: receive a plurality of PCB designs, and direct the curing system to cure the curable adhesive of a plurality of selective adhesion blanks for each PCB design.
In this project, we will develop aluminum ultra-conductors with graphene additives demonstrating enhanced electrical conductivity at 90 °C compared to electric grade aluminum alloy AA1100 (43% IACS at 90 °C). While ultra-conductivity has been developed in copper and copper alloys, it is yet to be reported extensively in aluminum-based materials. This project will scale initial work done at PNNL on aluminum ultra-conductors using shear-assisted processing and extrusion (ShAPETM), a novel solid phase processing technique. Ultra-conductors are an emerging class of composites, comprised of a metal substrate with small quantities of nanocrystalline additives such as graphene or carbon nanotubes that demonstrate enhanced conductivity at relevant operating temperatures. Aluminum ultra-conductors can improve efficiency and power density while reducing the demand for copper in a wide range of applications, such as power transmission cables and electric motors. Busbars are an important component in aerospace systems that require lightweight and high-current power distribution including both future electric vertical take-off and landing (eVTOL) aircrafts and current aircraft electrical systems. We will accelerate aluminum ultra-conductor composite formulation development using combinatorial synthesis and testing methods aided by process/microstructure modeling, developed previously at PNNL. Eaton will test the properties of the ShAPE aluminum ultra-conductor feedstock (used to make the busbars) in relevant operating conditions (20 – 90 °C), predict the improvement in busbar performance when manufactured with ultra-conductors over commercial conductors (such as AA1100), and perform technoeconomic analysis to evaluate the potential for commercialization of ShAPE aluminum ultra-conductors. The project is expected to have a budget of $\$375$K, with $\$300$K in federal funding and $\$75$K in-kind cost-share contribution from Eaton over a period of performance of 24 months. Of the $\$300$K of federal funds, $\$140$K is allocated for CRADA activities that generate intellectual property (IP), and the remaining $\$160$K is reserved for modeling, material testing, characterization, travel, and reporting-related activities.
Lawrence Berkeley National Laboratory (LBNL) collected near-surface point-measurements of soil temperature (file variable TDR_T(C)), volumetric water content (file variable TDR_SM(VWC%)), and soil electrical conductivity (file variable TDR_EC(mS/m)) using a time-domain reflectometer (TDR) at a depth of 25 cm. The survey aimed to characterize the spatial heterogeneity of near-surface hydrological properties at the hillslope scale considering sites with different aspects and elevation within the watershed. The East River is part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. These data were collected in early July 2019 over four hillslope sites: Pumphouse (north-east facing slope), Bradley (west and east-facing slopes), and Snodgrass (east-facing slope) within the East River watershed. Part of this survey was used to investigate soil-plant interactions at the hillslope scale in Jashvina et al. 2020.
Silicon suboxide (SiO x ) is one of the promising anode materials for the next-generation lithium-ion batteries. However, SiO x has a severe capacity fading problem during cycling. It is thus desired to investigate the detailed fading mechanisms of SiO x anode materials. In this study, limited capacity cycling was employed to examine the electrochemical behaviors of the SiO x anode, and the lithiation/delithiation cycling was limited within a range of 10% theoretical capacity. This strategy minimizes the volume variation of SiO x materials upon charging/discharging, which helps to reveal their decay factors other than volume fluctuation. It is demonstrated that the instability of the SiO x surface during cycling was likely a parallel factor of active material fading, which seems to cause unfavored electrode interface rearrangements with lowered electric conductivity.
We present a combined treatment of the nonequilibrium dynamics and transport of electrons and phonons by carrying out ab initio calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the presence of mutual drag between the two carriers causes the thermopower to be enhanced and dominated by the transport of phonons, rather than electrons as in the traditional semiconductor picture. Drag also strongly boosts the intrinsic electron mobility, thermal conductivity and the Lorenz number. Impurity scattering is seen to suppress the drag enhancement of the thermal and electrical conductivities, while having weak effects on the enhancement of the Lorenz number and thermopower. We demonstrate these effects in n-doped 3C-SiC at room temperature, and explain their origins. This work establishes the roles of microscopic scattering mechanisms in the emergence of strong drag effects in the transport of the interacting electron-phonon gas.
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Peculiar electron-phonon interaction characteristics underpin the ultrahigh mobility, electron hydrodynamics, superconductivity, and superfluidity observed in graphene heterostructures. Here, the Lorenz ratio (L) between the electronic thermal conductivity and the product of the electrical conductivity and temperature provides unique insight into electron-phonon interactions that is inaccessible to past graphene measurements. Here we show an unusual L peak in degenerate graphene near 60 Kelvin and decreased peak magnitude with increased mobility. When combined with ab initio calculations of the many-body electron-phonon self-energy and analytical models, this experimental observation reveals that broken reflection symmetry in graphene heterostructures can relax a restrictive selection rule to allow quasielastic electron coupling with an odd number of flexural phonons, contributing to the increase of L toward the Sommerfeld limit at an intermediate temperature sandwiched between the low-temperature hydrodynamic regime and the inelastic electron-phonon scattering regime above 120 Kelvin. In contrast to past practices of neglecting flexural phonon contributions to transport in two-dimensional materials, this work suggests that tunable electron-flexural phonon coupling can provide a handle to control quantum matter at the atomic scale, such as magic angle twisted bilayer graphene where low-energy excitations may mediate Cooper pairing of flat-band electrons.
We performed density functional theory calculations to investigate the thermoelectric properties of phosphorene oxide (PO) expected to form by spontaneous oxidation of phosphorene. Since thermoelectric features by nature arise from the consequences of the electron-phonon interaction, we computed the phonon-mediated electron relaxation time, which was fed into the semiclassical Boltzmann transport equation to be solved for various thermoelectric-related quantities. It was found that PO exhibits superior thermoelectric performance compared with its pristine counterpart, which has been proposed to be a candidate for the use of future thermoelectric applications. We revealed that spontaneous oxidation of phosphorene leads to a significant enhancement in the thermoelectric properties of n-doped phosphorene oxide, which is attributed to the considerable reduction of lattice thermal conductivity albeit a small decrease in electrical conductivity. Our results suggest that controlling oxidation may be utilized to improve thermoelectric performance in nanostructures, and PO can be a promising candidate for low-dimensional thermoelectric devices.
In the search for high-performance thermoelectrics, materials such as clathrates have drawn attention due to having both glasslike low phonon thermal conductivity and crystal-like high electrical conductivity. Ba 8 Ga 16 Ge 30 (BGG) has a loosely bound guest Ba atom trapped inside rigid Ga-Ge cage structures. Avoided crossings between acoustic phonons and the flat guest atom branches have been proposed to be the source of the low lattice thermal conductivity of BGG. Ga-Ge site disorder with Ga and Ge exchanging places in different unit cells has also been reported. We used time-of-flight neutron scattering to measure the complete phonon spectrum in a large single crystal of BGG and compared these results with predictions of density functional theory to elucidate the effect of the disorder on heat-carrying phonons. Experimental results agreed much better with the calculation assuming the disorder than with the calculation assuming the ordered configuration. Although the atomic masses of Ga and Ge are nearly identical, we found that disorder strongly reduces phonon group velocities, which significantly reduces thermal conductivity. Finally, our work points to a path towards optimizing thermoelectrics.
Molybdenum (Mo), which is one among the refractory metals, is a promising material with a wide variety of technological applications in microelectronics, optoelectronics, and energy conversion and storage. However, understanding the structure–property correlation and optimization at the nanoscale dimension is quite important to meet the requirements of the emerging nanoelectronics and nanophotonics. In this context, we focused our efforts to derive a comprehensive understanding of the nanoscale structure, phase, and electronic properties of nanocrystalline Mo films with variable microstructure and grain size. Molybdenum films were deposited under varying temperature (25–500 °C), which resulted in Mo films with variable grain size of 9–22 nm. The grazing incidence X-ray diffraction analyses indicate the (110) preferred growth behavior the Mo films, though there is a marked decrease in hardness and elastic modulus values. In particular, there is a sizable difference in maximum and minimum elastic modulus values; the elastic modulus decreased from ~460 to 260–280 GPa with increasing substrate temperature from 25–500 °C. The plasticity index and wear resistance index values show a dramatic change with substrate temperature and grain size. Additionally, the optical properties of the nanocrystalline Mo films evaluated by spectroscopic ellipsometry indicate a marked dependence on the growth temperature and grain size. This dependence on grain size variation was particularly notable for the refractive index where Mo films with lower grain size fell in a range between ~2.75–3.75 across the measured wavelength as opposed to the range of 1.5–2.5 for samples deposited at temperatures of 400–500 °C, where the grain size is relatively higher. The conductive atomic force microscopy (AFM) studies indicate a direct correlation with grain size variation and grain versus grain boundary conduction; the trend noted was improved electrical conductivity of the Mo films in correlation with increasing grain size. The combined ellipsometry and conductive AFM studies allowed us to optimize the structure–property correlation in nanocrystalline Mo films for application in electronics and optoelectronics.
In this work, a high-sensitivity 4H–SiC temperature sensor and an alpha detector have been fabricated using additively printed metal contacts. The surface morphology and electrical conductivity of the printed electrodes were established prior to Schottky diode development. 4H–SiC Schottky diodes with direct-write printed silver contacts on the 5 μ m-thick epilayer on 4H–SiC were characterized electrically in terms of the forward and reverse current–voltage and high-frequency capacitance–voltage characteristics. Furthermore, the turn-on voltage of the Schottky diodes, as established from the forward current–voltage characteristics measured up to a temperature of 400 °C, showed a linear temperature dependence. Schottky diodes with direct-write printed Ag electrodes were able to measure alpha particles emitted from Americium-241. The high temperature and radiation response of the Schottky diodes show their suitability for multi-modal sensor fusion on the 4H–SiC platform for harsh environment applications.