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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Evaluation and beneficiation of high sulfur and high alkali fly ashes for use as supplementary cementitious materials in concrete

Coal-fuel power plants with semi-dry or dry flue gas desulfurization (FGD) systems produce high sulfur and/or high alkali fly ashes due to comingling of fly ash with FGD products. Such fly ashes do not meet the SO 3 content limit (5.0% max.) of ASTM C618 or are unable to mitigate the alkali-silica reaction. The mineralogy of the sulfur present in these ashes can vary significantly (e.g., CaSO 4 , CaSO 3 , Na2SO 4 ) based on the FGD technology used and this affects the performance of these fly ashes in concrete. Thus, the single SO 3 % limit of ASTM C618 is unable to capture the complexity and performance of fly ash, and this results in elimination of potentially viable pozzolans for concrete. Here this study performs a systematic investigation of the effect of SO 3 type and content in fly ash on various performance parameters of cement-fly ash pastes and mortars, including workability (flow and flow retention), pore fluid pH, setting time, strength development, and potential for deleterious expansion. To better quantify and understand these effects, the study considers both real and doped fly ashes (i.e., a blend of specification-compliant fly ash with target sulfur compounds). The poor performance observed in the case of setting time and pore fluid pH was successfully mitigated using chemical admixtures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High temperature transition aluminas in gamma-Al2O3: Review

High temperature treated transition aluminas display adsorptive and catalytic properties that are in many ways comparable to those of their low temperature counterpart gamma-Al2O3. While being important industrial catalysts as well as catalytic supports, their very basic crystallographic and structural characteristics remain poorly understood and thus actively studied. In this review, we critically examine the crystallography and structural complexity of these materials. Specifically, we address the crystallography of delta- and theta-Al2O3 polymorphs and show how structural intergrowth and disorder are accommodated in these phases. The structural complexity at the scale of overall microstructure is also examined, and the challenges and recent progress in quantification of the structure at ensemble level are discussed. Most pertinently to catalysis, we review the surfaces properties of high temperature treated Al2O3 and discuss the implications for understanding attributes relevant to heterogeneous catalysis.

Kovarik, Libor↗
DOE OSTI2023

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Amino-tethering synthesis strategy toward highly accessible sub-3-nm L1 0 -PtM catalysts for high-power fuel cells

Because of the poor accessibility of embedded active sites, platinum (Pt)-based electrocatalysts suffer from insufficient Pt utilization and mass transport in membrane electrode assemblies (MEAs), limiting their performance in polymer electrolyte membrane fuel cells. Here, we report a simple and universal approach to depositing sub-3-nm L1 0 -PtM nanoparticles over external surfaces of carbon supports through pore-tailored amino (NH 2 )-modification, which enables not only excellent activity for the oxygen reduction reaction, but also enhanced Pt utilization and mass transport in MEAs. Using a low loading of 0.10 mg Pt ∙cm -2 , the MEA of PtCo/KB-NH 2 delivered an excellent mass activity of 0.691 A∙mgPt -1 , a record-high power density of 0.96 W∙cm -2 at 0.67 V, and only a 30-mV drop at 0.80 A∙cm -2 after 30,000 voltage cycles, which meets nearly all targets set by the Department of Energy. Finally, this work provides an efficient strategy for designing advanced Pt-based electrocatalysts and realizing high-power fuel cells.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Two-layer cathode architecture for high-energy density and high-power density solid state batteries

Solid state batteries with high-energy density and high-power density require the development of thick and energy dense cathodes. Structured cathode electrodes with a double-layer configuration were enabled using a freeze tape casting technique. A bottom dense layer was utilized to enhance the energy density whereas a top porous layer with vertically aligned walls was utilized to enhance the power density. The porous structure of the power layer was achieved by ice templating this layer on top of the densified energy layer of the cathode. This configuration was found to better utilize the active material of the cathodes and was optimized using numerical simulation and computer modeling. Cells with Li metal anode and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) at approximately 5 and 20 mg/cm 2 were cycled at 70 °C at different C-rates. Poly(ethylene oxide) (PEO) with lithium bis-trifluoromethanesulfonimide (LiTFSI) was used for the catholyte and the solid-state electrolyte. The structured cathodes exhibited more than double capacity values as well as better Coulombic efficiency compared to non-structured (single-layer) thick cathodes. In conclusion, synchrotron X-ray tomography and scanning electron microscopy were used to characterize the microstructure of the cathodes.

25 ENERGY STORAGE↗
DOE OSTI2020

The CLAS12 High Threshold Cherenkov Counter

The High Threshold Cherenkov Counter (HTCC) is one of the detector systems of the CLAS12 spectrometer, and is used to generate a fast trigger signal in electron scattering experiments in the polar angle range from 5°to 35°. The HTCC is installed in front of the drift chambers and introduces a minimal amount of additional material within the acceptance. The HTCC is one unit whose core component is a multifocal mirror that consists of 60 lightweight ellipsoidal mirrors. It is important that the HTCC provides efficient coverage of the CLAS12 forward acceptance with no gaps. In order to achieve this, each sector of the CLAS12 Forward Detector is covered by 2 identical half-sector mirrors that focus Cherenkov light on 8 phototubes. The HTCC has a total of 48 channels with Electron Tubes 9823QKB photomultipliers that have a 5-in quartz face plate to detect Cherenkov light. The system provides rejection of charged -mesons with momenta below 4.8 GeV for the reliable identification of scattered electrons. In this paper the details of the design, construction, calibration, and performance results of the HTCC are presented

Sharabian, Y. G.↗
DOE OSTI2021

High-coercivity ThMn 12 -type monocrystalline Sm–Zr–Fe–Co–Ti particles by high-temperature reduction diffusion

The ThMn 12 -type (Sm,Zr)1(Fe,Co,Ti) 12 compounds have the potential of powerful permanent magnets. Magnetically hard and anisotropic powders of such compound have been prepared by subjecting elemental oxides and Co mixed with Ca and CaO dispersant to a succession of high-energy ball-milling, reduction diffusion at 990–1220 °C and repeated washing. The size of the resulting ThMn 12 -type crystallites, their coercivity and fraction of monocrystalline particles were all found to increase with the reduction-diffusion temperature. Particles synthesized at 1220 °C were highly monocrystalline with a mean size of 0.54 μm and, after a magnetic-field alignment, exhibited a coercivity of 1.26 T and a full-density-projected maximum energy product of at least 209 kJ/m 3 (26.3 MGOe). Here, the strong positive effect of the reduction-diffusion temperature on the coercivity has been attributed to separation of the crystallites and to decrease in the incidence of structural defects.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ friction and wear behavior of rubber materials incorporating various fillers and/or a plasticizer in high-pressure hydrogen

Polymers are used routinely for equipment and infrastructure in hydrogen vehicle refueling stations, but significant gaps remain in understanding their hydrogen compatibility. The tribological properties of these materials in a high-pressure hydrogen environment is important in preventing component failure and the need for frequent replacement. We present in situ tribological studies on model rubbers, which include common fillers and plasticizer, using an in situ tribometer developed previously. Results suggest a clear, yet complicated, combined effect of the high-pressure hydrogen and the additives on the tribological performance of the chosen materials, as compared to matching experiments performed in ambient air. We find that the additives improved wear resistance in EPDM but deteriorated that in NBR due to disparate additive-polymer interactions.

Kuang, Wenbin↗
DOE OSTI2025

Thermal stress-induced depolarization compensation in wide-bandwidth, high-energy, high-repetition-rate multi-slab laser amplifiers

We present an innovative design for a two-head, gas-cooled multi-slab high-energy, high-repetition-rate amplifier aimed at mitigating thermally induced depolarization in a wide-bandwidth neodymium-doped glass gain medium. This architecture employs two quartz rotators (QRs) with opposite-handedness, strategically positioned within each multi-slab amplifier head, to enhance depolarization compensation. Theoretical modeling of this amplifier configuration demonstrates a 20× reduction in depolarization losses for a 70 mm beam operating at the central wavelength, compared to conventional approaches that utilize a single QR positioned between the amplifier heads. In addition, for a wide bandwidth source, the integration of QRs with opposite-handedness yields a 9× improvement in depolarization losses at the spectral extremes compared to the use of two QRs exhibiting the same optical handedness in both amplifier heads.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Long-Life, Ultrahigh-Nickel Cathodes with Excellent Air Storage Stability for High-Energy Density Lithium-Based Batteries

With increased energy density and cost advantage, ultrahigh-nickel layered oxides (LiNi x M 1-x O 2 , x = 0.9 - 1.0) are becoming front-runner as cathodes for next-generation lithium-based batteries, yet their commercialization is blocked both by severe capacity fade and exponentially aggravated air degradation. Thus, it is imperative to find effective solutions to address these issues simultaneously. Here, a significant enhancement in both the cycling and air storage stability of the ultrahigh-Ni cathode LiNi 0.94 Co 0.06 O 2 is achieved via a distinctive phosphoric acid treatment strategy. The modified cathode displays remarkably improved capacity retention (from 36 % to 80 % after 1,000 cycles) and rate capability (from 0 to 105 mA h g -1 at 30C rate) in pouch cells. Impressively, the modified cathode, after air storage for 450 days, maintains the morphology and 92% of the initial capacity of the fresh sample with excellent cyclability. Comprehensive interphase and structural analyses reveal that the enhanced electrochemical performance is due to a highly stabilized electrode/electrolyte interphase that suppresses electrode corrosion and lattice reconstruction. The excellent air stability results from an adsorption-buffering effect enabled by phosphoric acid to air attack. Finally, the study demonstrates an engineering pathway to improve the cycling and air stability, facilitating the practical viability of high-capacity, affordable, ultrahigh-Ni cathodes in lithium-based batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Enhancing the Chemical Energy Flux in a High-Temperature Tubular Counterflow Solid Fuel Synthesis Reactor Using a Bypass

Redox reactions of metal oxides offer a path towards using intermittent renewable resources for high-density thermochemical energy storage. Thermochemical energy storage often involves the flow of a particulate media. We describe a novel method to increase the throughput in a gravity-driven high-temperature thermochemical storage reactor flowing pelletized MgMnO. The moving bed reactor operates under counter-flow conditions and encounters particle flowability problems at temperatures of 1500 °C leading to sintering of the bed. Inertial forces of a counter-flowing gas can overcome the gravitational forces on the particles and limit the chemical energy storage rate of the reactor. We found that the insertion of a gas bypass (a slotted tube) into the reactor results in a 100% increase of the flow rates and achieved a 50% higher chemical energy storage flux compared to the operation without a bypass tube while mitigating the effects of sintering on the particles. As a result, the higher solid flow rates require a longer heated zone to reach a comparable residence time and extent of reduction compared to the lower flow rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High-Pressure, High-Temperature Synthesis and Characterization of Polar and Magnetic LuCrWO 6

We report a new polar and magnetic oxide, LuCrWO 6 , was synthesized under high pressure (6 GPa) and high temperature (1673 K). LuCrWO 6 is isostructural with the previously reported polar YCrWO 6 (SG: Pna21, no. 33). The ordering of CrO 6 and WO 6 octahedra in the edge-shared dimers induce the polar structure. The effective size of rare earth, Ln cation does not seem to affect the symmetry of LnCrWO 6 . Second harmonic generation measurements of LuCrWO 6 confirmed the noncentrosymmetric character and strong piezoelectric domains are observed from piezoresponse force microscopy at room temperature. LuCrWO 6 exhibits antiferromagnetic behavior, T N , of ~18 K with a Weiss temperature of -30.7 K.

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

Molecular Simulations Probing the Adsorption and Diffusion of Ammonia, Nitrogen, Hydrogen, and Their Mixtures in Bulk MFI Zeolite and MFI Nanosheets at High Temperature and Pressure

Recent advances in the synthesis of MFI zeolite nanosheets have led to highly selective membranes that are promising candidates for small-scale ammonia separation from ammonia/nitrogen/hydrogen mixtures in distributed green ammonia production plants. Using force-field-based molecular simulations, we evaluate the performance of bulk all-silica MFI zeolite and a 3 nm thick all-silica MFI nanosheet for ammonia/nitrogen/hydrogen separations at moderate temperature and pressure conditions (T = 373 K, p = 5 bar) as well as conditions relevant for a membrane-based reactor–separator process (T = 523 or 623 K, p = 80 bar). Isobaric–isothermal Gibbs ensemble Monte Carlo (GEMC) simulations were carried out to understand the selective adsorption behavior for these mixtures. Molecular dynamics simulations in the canonical ensemble were performed to examine the transport behavior of ammonia in a mixture with nitrogen or hydrogen at loadings obtained from the GEMC simulations. Our results show that both bulk MFI and the nanosheet with explicit surface silanols are highly selective toward ammonia adsorption, but the adsorption selectivity decreases by factors of 4 and 10 for ammonia/nitrogen and ammonia/hydrogen mixtures as the temperature is increased from 373 to 623 K. Conversely, the diffusion selectivities toward ammonia are more favorable at process-relevant temperatures and for the MFI nanosheet. Here, at T = 523 K and p = 80 bar, our simulations predict overall separation factors of 3.8 ± 0.2 and 4.5 ± 0.3 for ammonia/nitrogen and ammonia/hydrogen mixtures, respectively, in the bulk MFI zeolite, and separation factors of 8.6 ± 0.4 and 12.5 ± 0.8, respectively, for the MFI nanosheet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

High-Level Reverse Intersystem Crossing and Molecular Rigidity Improve Spin Statistics for Triplet–Triplet Annihilation Upconversion

The structural factors affecting triplet−triplet annihilation (TTA) at the molecular level are not well-understood. Here, our steady-state photoluminescence and transient absorption results demonstrate that the spin statistical factor, η, decreases from 0.60 to 0.46 and 0.14 going from 9,10-diphenylanthracene (DPA) to the 1,5-DPA and 2,6-DPA isomers, respectively, during photon upconversion with a platinum octaethylporphyrin sensitizer. Density functional theory (DFT) shows that η depends on the energetics of hot triplet states and molecular rigidity. The significantly high conical intersection energy between the S 0 and T 1 states for 9,10-DPA gives its longer triplet lifetime. Time-dependent DFT calculations show that 9,10-DPA and 1,5-DPA can undergo high-level reverse intersystem crossing from their T 2 and T 3 states, respectively, to the bright S 1 state, increasing the limit of the spin statistical factor. Both factors ultimately serve to enhance the TTA efficiency. Furthermore, this work provides insight into designing molecules for efficient light-emitting and photon upconversion applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

High-Performance Lithium-Ion Batteries with High Stability Derived from Titanium-Oxide- and Sulfur-Loaded Carbon Spherogels

This study presents a novel approach to developing high-performance lithium-ion battery electrodes by loading titania-carbon hybrid spherogels with sulfur. The resulting hybrid materials combine high charge storage capacity, electrical conductivity, and core-shell morphology, enabling the development of next-generation battery electrodes. We obtained homogeneous carbon spheres caging crystalline titania particles and sulfur using a template-assisted sol-gel route and carefully treated the titania-loaded carbon spherogels with hydrogen sulfide. The carbon shells maintain their microporous hollow sphere morphology, allowing for efficient sulfur deposition while protecting the titania crystals. By adjusting the sulfur impregnation of the carbon sphere and varying the titania loading, we achieved excellent lithium storage properties by successfully cycling encapsulated sulfur in the sphere while benefiting from the lithiation of titania particles. Without adding a conductive component, the optimized material provided after 150 cycles at a specific current of 250 mA g -1 a specific capacity of 825 mAh g -1 with a Coulombic efficiency of 98%.

25 ENERGY STORAGE↗