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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electrodes with silicon oxide active materials for lithium ion cells achieving high capacity, high energy density and long cycle life performance

Improved negative electrodes can comprise a silicon based active material blended with graphite to provide more stable cycling at high energy densities. In some embodiments, the negative electrodes comprise a blend of polyimide binder mixed with a more elastic polymer binder with a nanoscale carbon conductive additive. The silicon-based blended graphite negative electrodes can be matched with positive electrodes comprising nickel rich lithium nickel manganese cobalt oxides to form high energy density cells with good cycling properties.

Venkatachalam, Subramanian↗
DOE OSTI2024

Lithium ion cells with high performance electrolyte and silicon oxide active materials achieving very long cycle life performance

Improved negative electrodes can comprise a silicon based active material blended with graphite to provide more stable cycling at high energy densities. In some embodiments, the negative electrodes comprise a blend of polyimide binder mixed with a more elastic polymer binder with a nanoscale carbon conductive additive. Electrolytes have been formulated that provide for extended cycling of cells incorporating a mixture of a silicon-oxide based active material with graphite active material in negative electrodes that can be matched with positive electrodes comprising nickel rich lithium nickel manganese cobalt oxides to cells with unprecedented cycling properties for large capacity cell based on a silicon negative electrode active material.

Dong, Yingnan↗
DOE OSTI2021

Role of Pairwise Reactions on the Synthesis of Li 0.3 La 0.57 TiO 3 and the Resulting Structure–Property Correlations

The performance of single-ion conductors is highly sensitive to the material’s defect chemistry. Tuning these defects is limited for solid-state reactions as they occur at particle–particle interfaces, which provide a complex evolving energy landscape for atomic rearrangement and product formation. In this report, we investigate the (1) order of addition and (2) lithium precursor decomposition temperature and their effect on the synthesis and grain boundary conductivity of the perovskite lithium lanthanum titanium oxide (LLTO). We use an intimately mixed sol–gel, a solid-state reaction of Li precursor + La 2 O 3 + TiO 2 , and Li precursor + amorphous La 0.57 TiO x as different chemical routes to change the way in which the elements are brought together. The results show that the perovskite can accommodate a wide range of Li deficiencies (upward of 50%) while maintaining the tetragonal LLTO structure, indicating that X-ray diffraction (XRD) is insufficient to fully characterize the chemical nature of the product (i.e., Li-deficient LLTO may behave differently than stoichiometric LLTO). Variations in the relative intensities of different reflections in XRD suggest variations in the La ordering within the crystal structure between synthesis methods. Furthermore, the choice of the precursor and the order of addition of the reactants lower the time required to form a pure phase. Density functional theory calculations of the formation energy of possible reaction intermediates support the hypothesis that a greater thermodynamic driving force to form LLTO leads to a greater LLTO yield. Here, the retention of lithium is correlated with the thermal decomposition temperature of the Li precursor and the starting material mixing strategy. Taking the results together suggests that cations that share a site with Li should be mixed early to avoid ordering. Such cation ordering inhibits Li motion, leading to higher Li ion resistance.

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

Using radiochemistry to diagnose fuel-ablator mix in inertial confinement fusion studies at the National Ignition Facility: measurement of Tc/Mo isotopic ratios for the Pushered Single Shell campaign

The development of radiochemical measurement techniques as a diagnostic for fusion experiments at the National Ignition Facility enables a new method for assessing fuel-ablator mix and the impact of this mix on capsule performance. Diagnosing capsule mix in internal confinement fusion studies is difficult due to the small spatial scales (10s of µm) and short-time frames (100s of ps) over which the mix typically evolves in these experiments. For the Pushered Single Shell campaign, radiochemical measurements on debris collected from fusion experiments can be used to determine isotopic ratios of activation products, particularly 96g Tc/ 99 Mo and 95g Tc/ 99 Mo, to provide vital information on nuclear reactions in the burning plasma that can inform simulations that seek to understand the degree of capsule-fuel mix and the impact on the capsule performance. These radiochemical measurements have been conducted regularly since November 2023 providing data on a range of capsule designs and neutron yields. Data from eight NIF experiments is presented, the measured 96g Tc/ 99 Mo and 95g Tc/ 99 Mo range from (0.5–5) × 10 –4 to (0.3–3) × 10 –4 , respectively. The development of radiochemical diagnostics aids in understanding and optimizing the design of fusion experiments, providing unique and valuable insights into capsule behavior and directly measuring fuel-ablator mix.

and nuclear chemistry↗
NASA NTRS2002

Polymer-Single Wall Carbon Nanotube Composites for Potential Spacecraft Applications

Polymer-single wall carbon nanotube (SWNT) composite films were prepared and characterized as part of an effort to develop polymeric materials with improved combinations of properties for potential use on future spacecraft. Next generation spacecraft will require ultra-lightweight materials that possess specific and unique combinations of properties such as radiation and atomic oxygen resistance, low solar absorptivity, high thermal emissitivity, electrical conductivity, tear resistance, ability to be folded and seamed, and good mechanical properties. The objective of this work is to incorporate sufficient electrical conductivity into space durable polyimides to mitigate static charge build-up. The challenge is to obtain this level of conductivity (10(exp -8) S/cm) without degrading other properties of importance, particularly optical transparency. Several different approaches were attempted to fully disperse the SWNTs into the polymer matrix. These included high shear mixing, sonication, and synthesizing the polymers in the presence of pre-dispersed SWNTs. Acceptable levels of conductivity were obtained at loading levels less than one tenth weight percent SWNT without significantly sacrificing optical properties. Characterization of the nanocomposite films and the effect of SWNT concentration and dispersion on the conductivity, solar absorptivity, thermal emissivity, mechanical and thermal properties were discussed. Fibers and non-woven porous mats of SWNT reinforced polymer nanocomposite were produced using electrospinning.

Park, C.↗
NASA NTRS2024

A Convexification-Based Outer-Approximation Method for Convex and Nonconvex MINLP

The advancement of domain reduction techniques has significantly enhanced the performance of solvers in mathematical programming. This paper delves into the impact of integrating convexification and domain reduction techniques within the Outer-Approximation method. We propose a refined convexification-based Outer-Approximation method alongside a Branch-and-Bound method for both convex and nonconvex Mixed-Integer Nonlinear Programming problems. These methods have been developed and incorporated into the open-source Mixed-Integer Nonlinear Decomposition Toolbox for Pyomo-MindtPy. Comprehensive benchmark tests were conducted, validating the effectiveness and reliability of our proposed algorithms. These tests highlight the improvements achieved by incorporating convexification and domain reduction techniques into the Outer-Approximation and Branch-and-Bound methods.

Optimization↗
DOE OSTI2022

The role of Co valence in charge transport in the entropy‐stabilized oxide (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O

Abstract Many of the studies on the entropy‐stabilized oxide (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O have been heavily application‐based. Previous works have studied effects of cation stoichiometry on the entropy‐driven reaction to form a single phase, but a fundamental exploration of the effects of anion stoichiometry and/or redox chemistry on electrical properties is lacking. Using near‐edge X‐ray absorption fine structure (NEXAFS) and electrical measurements, we show that oxidizing thin film samples of (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O affects primarily the valence of Co, leaving the other cations in this high‐entropy system unchanged. This oxidation increases electrical conduction in these thin films, which occurs via small polaron hopping mediated by the Co valence shift from 2+ to a mixed 2+/3+ state. In parallel, we show that bulk samples sintered in an oxygen‐rich atmosphere have a lower activation energy for electrical conduction than those equilibrated in a nitrogen (reducing) atmosphere. Combining feasible defect compensation scenarios with electrical impedance measurements and NEXAFS data, we propose a self‐consistent interpretation of Co redox‐mediated small polaron conduction as the dominant method of charge transfer in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cooled Gas Turbine and Combined Cycle Analysis for NH 3 -CH 4 Fuel Mixes (Up to 100% NH 3 )

In this study, a cooled gas turbine (GT) analysis was conducted for varying levels of ammonia (NH 3 ) blends with methane. The ultimate goal is to have a gas turbine design that can be used for all the fuel blends (including 100% NH 3 ) without any changes to the system. The technological developments in the cooling system, gas turbine design, and materials that will be required for NH 3 combustion were identified and analyzed in this study to develop an advanced gas turbine design for NH 3 fuels. The study includes a combined cycle performance analysis with the NH 3 fuel blends using the advanced gas turbine design developed in this study. A techno-economic analysis was conducted for analyzing the impact of the NH 3 fuels on the levelized cost of electricity and cost sensitivities to fuel price and capacity factor.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Anion sublattice design enables superionic conductivity in crystalline oxyhalides

Solid-state batteries are attractive energy storage systems as a result of their inherent safety, but their development hinges on advanced solid-state electrolytes (SSEs). Most SSEs remain largely confined to single-anion systems (e.g., sulfides, oxides, halides, and polymers). Through mixed-anion design strategy, we develop crystalline Li 3 Ta 3 O 4 Cl 10 (LTOC) and its derivatives with excellent ionic conductivities (up to 13.7 millisiemens per centimeter at 25°C) and electrochemical stability. The LTOC structure features mixed-anion spiral chains, consisting of corner-shared oxygen and terminal chlorine atoms, which induces continuous “tetrahedron-tetrahedron” Li-ion migration pathways with low energy barriers. Additionally, LTOC demonstrates holistic cathode compatibility, enabling solid-state batteries operation at 4.9 volts versus Li/Li + and low temperature, down to −50°C. In conclusion, these findings describe a promising class of superionic conductors for high-performance solid-state batteries.

Zhao, Feipeng [Western University, London, ON (Can↗
DOE OSTI2021

A Flow Rate Dependent 1D Model for Thermally Stratified Hot-Water Energy Storage

Stratified tank models are used to simulate thermal storage in applications such as residential or commercial hot-water storage tanks, chilled-water storage tanks, and solar thermal systems. The energy efficiency of these applications relates to the system components and the level of stratification maintained during various flow events in the tank. One-dimensional (1D) models are used in building energy simulations because of the short computation time but often do not include flow-rate dependent mixing. The accuracy of 1D models for plug flow, plug flow with axial conduction, and two convection eddy-diffusivity models were compared with experimental data sets for discharging a 50-gal residential tank and recharging the tank with hot water from an external hot-water source. A minimum and maximum relationship for the eddy diffusivity factor were found at Re <2100 and >10,000 for recirculation of hot water to the top of the tank and vertical tubes inletting cold water at the bottom. The root mean square error decreased from >4 °C to near 2 °C when considering flow-based mixing models during heating, while the exponential decay of the eddy diffusion results in a root mean square error reduction of 1 °C for cone-shaped diffusers that begin to relaminarize flow at the inlet.

1D flow model↗
DOE OSTI2025

Insights into determining pore size properties of ultrafiltration membranes

The selectivity of porous membranes is often characterized using solute rejection tests, where membranes are challenged with dilute aqueous solutions of neutral solutes at operating conditions that minimize concentration polarization and fouling. In single solute tests, a membrane is challenged with one molecular weight (MW) solute at a time from low to high MW. Since single solute methods are time-intensive, mixed solute tests have become more common, where a mixture of several MW solutes challenges a membrane at once. However, the presence of large solutes in a mixture increases the rejection of smaller solutes. Furthermore, there are no universally accepted operating conditions or standard methods used by membrane manufacturers or researchers for the experiments, leading to difficulty in pore size and pore characteristic comparisons. In this paper, commercial ultrafiltration membranes were challenged with single and mixed solute polyethylene glycol (PEG) and dextran aqueous solutions. First, rejection values determined using total organic carbon (TOC) and high-performance liquid chromatography (HPLC) from single solute filtration experiments are compared. Differences in rejection curves obtained by the two techniques are attributed to solute polydispersity. Mixed solute filtration experiments with binary mixtures of solutes showcased co-solute interactions, which increase with both the size and weight percent of large solute in the mixture. Mixed solute filtration experiments at varying operating conditions (i.e., stir speed and flux) were conducted to determine operating conditions that mitigate co-solute interactions. Stir speed had a minimal effect on co-solute interactions. In contrast, low flux conditions can help minimize co-solute interactions, leading to pore size distributions that closely resemble results observed in single solute filtration using narrowly dispersed solutes. Additionally, at low flux conditions, the predicted membrane pore size distributions utilizing mixed solute experiments with PEG and dextran were similar.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enhancing Charge Transport of 2D Perovskite Passivation Agent for Wide-Bandgap Perovskite Solar Cells Beyond 21%

The replacement of a small amount of organic cations with bulkier organic spacer cations in the perovskite precursor solution to form a 2D perovskite passivation agent (2D-PPA) in 3D perovskite thin films has recently become a promising strategy for developing perovskite solar cells (PSCs) with long-term stability and high efficiency. However, the long, bulky organic cations often form a barrier, hindering charge transport. In this study, for the first time, 2D-PPA engineering based on wide-bandgap (~1.68?eV) perovskites are reported. Pentafluorophenethylammonium (F5PEA+) is introduced to partially replace phenylethylammonium (PEA+) as the 2D-PPA, forming a strong noncovalent interaction between the two bulky cations. The charge transport across and within the planes of pure 2D perovskites, based on mixed ammoniums, increases by a factor of five and three compared with that of mono-cation 2D perovskites, respectively. The perovskite films based on mixed-ammonium (F5PEA+-PEA+) 2D-PPA exhibit similar surface morphology and crystal structure, but longer carrier lifetime, lower exciton binding energy, less trap density and higher conductivity, in comparison with those using mono-cation (PEA+) 2D-PPA. The performance of PSCs based on mixed-cation 2D-PPA is enhanced from 19.58% to 21.10% along with improved stability, which is the highest performance for reported wide-bandgap PSCs.

14 SOLAR ENERGY↗
DOE OSTI2024

Numerical Mixing Suppresses Submesoscale Baroclinic Instabilities Over Sloping Bathymetry

Abstract The impacts of spurious numerical salinity mixing on the larger‐scale flow and tracer fields are characterized using idealized simulations. The idealized model is motivated by realistic simulations of the Texas‐Louisiana shelf and features oscillatory near‐inertial wind forcing. can exceed the physical mixing from the turbulence closure in frontal zones and within the mixed layer. This suggests that simulated mixing processes in frontal zones are driven largely by . Near‐inertial alongshore wind stress amplitude is varied to identify a base case that maximizes the ratio of to in simulations with no prescribed horizontal mixing. We then test the sensitivity of the base case with three tracer advection schemes (MPDATA, U3HC4, and HSIMT) and conduct ensemble runs with perturbed bathymetry. Instability growth is evaluated using the volume‐integrated eddy kinetic energy and available potential energy . While all schemes have similar total mixing, the HSIMT simulations have over double the volume‐integrated and 20% less relative to other schemes, which suppresses the release of and reduces the by roughly 25%. This results in reduced isohaline variability and steeper isopycnals, evidence that enhanced suppresses instability growth. Differences in and between the MPDATA and U3HC4 simulations are marginal. However, the U3HC4 simulations have 25% more . Experiments with variable horizontal viscosity and diffusivity coefficients show that small amounts of prescribed horizontal mixing improve the representation of the ocean state for all advection schemes by reducing the and increasing the .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Superionic conduction using ion aggregates

Project objective: Engineer solid polymeric electrolytes with an optimized, self-assembled, ion network that conducts independently of polymer segmental dynamics. The goal of this project is to engineer an optimized, self-assembled ion aggregate network, by which we can incorporate an aggregate assisted, collective, superionic conduction paradigm into polymeric electrolytes. We do not seek to improve conductivity, although this is a likely result of our approach, but to propose systems in which collective motion is the main conduction mechanism. We believe that once such materials are identified, they will quickly become a subject of research in the solid polymer electrolyte community. With this in mind, we pursue three design strategies: increase ion content in PEG single ion conductors, use mixed anions (including divalent ions as crosslinkers), and introduce swelled polyanion/polycation complexes as a potential ion conducting material.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Mixing characteristics of directly opposed rows of jets injected normal to a crossflow in a rectangular duct

An experimental investigation of the mixing of nonreacting opposed rows of inline jets injected perpendicular to a uniform crossflow has been conducted in a rectangular duct. Planar Mie-scattering was used to measure the time-average concentration distribution of the jet fluid in planes perpendicular to the duct axis. Orifice configurations with geometric blockages ranging from 0.59 to 0.89 had similar mixing performance when compared at one-half duct height downstream of injection. Blockage was varied by changing the orifice aspect ratio from 1-to-1 to 1-to-1.5 while maintaining orifice spacing-to-duct height (S/H) at 0.425, jet-to-mainstream mass flow ratio (MR) at 2.0, and jet-to-mainstream momentum-flux ratio (J) at 48. The result indicates that the design correlating expression (at MR = 2) for optimum in line mixing of 2.5 approximately equal to (S/H)(square root of J) is independent of the Webb between adjacent orifices and therefore independent of orifice width. Experimental and numerical results for an orifice aspect ratio 1-to-1 case were in good agreement. The results of a comparison of inline 45 degrees slanted slot and round orifice configuration indicate that in order to obtain equivalent mean concentration distributions at the same J it is necessary to use a smaller S/H for the round orifice configuration. Conclusions about the performance of various orifice shapes can only be obtained from comparison of optimized configurations. Inline jets with different momentum-flux ratios on opposite sides were compared at a constant mass flow ratio. The orifice spacing chosen was previously found to be an optimum configuration when opposing values of J were equal and also an optimum for single side injection. Experimental and empirical results were in good agreement.

Liscinsky, D. S.↗
DOE OSTI2023

Cloud microphysical response to entrainment and mixing is locally inhomogeneous and globally homogeneous: Evidence from the lab

Entrainment of dry air into clouds strongly influences cloud optical and precipitation properties and the response of clouds to aerosol perturbations. The response of cloud droplet size distributions to entrainment–mixing is examined in the Pi convection-cloud chamber that creates a turbulent, steady-state cloud. The experiments are conducted by injecting dry air with temperature (T e ) and flow rate (Q e ) through a flange in the top boundary, into the otherwise well-mixed cloud, to mimic the entrainment–mixing process. Due to the large-scale circulation, the downwind region is directly affected by entrained dry air, whereas the upwind region is representative of the background conditions. Droplet concentration (Cn) and liquid water content (L) decrease in the downwind region, but the difference in the mean diameter of droplets (D m ) is small. The shape of cloud droplet size distributions relative to the injection point is unchanged, to within statistical uncertainty, resulting in a signature of inhomogeneous mixing, as expected for droplet evaporation times small compared to mixing time scales. As T e and Q e of entrained air increase, however, Cn, L, and D m of the whole cloud system decrease, resulting in a signature of homogeneous mixing. The apparent contradiction is understood as the cloud microphysical responses to entrainment and mixing differing on local and global scales: locally inhomogeneous and globally homogeneous. This implies that global versus local sampling of clouds can lead to seemingly contradictory results for mixing, which informs the long-standing debate about the microphysical response to entrainment and the parameterization of this process for coarse-resolution models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Hold Down and Release Mechanism Hardware Simulator for Ground Deployment Testing

Hold Down and Release Mechanisms (HDRMs) are a common piece of spacecraft hardware which restrain components during launch, transit, and later allow them to be extended, jettisoned, separated, etc. at the spacecraft’s destination. Due to prohibitively high cost, long lead times, and limited reset capability, testing of mechanisms that require HDRMs is often difficult. This project explored the possibility of designing HDRM-analogue devices that would replicate the function of flight HDRMs during ground-based testing for a fraction of the cost of a flight HDRM. These devices were designed with the requirements of the Spin Eject Mechanism to be used on the Mars Sample Return (MSR) Capture, Containment, and Return System (CCRS) in mind. A trade study was conducted to determine the optimal internal mechanism design of the device, comparing several mechanisms from existing HDRMs to several simpler, more novel mechanisms. CAD software was used to create a preliminary design of the device utilizing a mix of commercial off-the-shelf parts and custom-manufactured parts. Several straightforward analyses were conducted to determine the most effective models for the off-the-shelf parts. A prototype largely composed of 3D-printed components was also created to proof the design concept. Although this HDRM simulator was designed for a particular mechanism for the CCRS mission, its general design is useful for ground testing of a variety of mechanisms requiring similar HDRM simulators.

Kian Vilhauer↗
NASA NTRS1993

Eddy mixing coefficient values derived from simulations with the NASA Ames Mars GCM

Values of eddy mixing coefficients, especially that for vertical mixing, are of particular importance for various photochemical models of the Mars atmosphere, which are either globally or zonally averaged. These models represent atmospheric transport processes in terms of eddy diffusion. While this is not appropriate for the advective transport by the mean meridional circulation (in general, a part of the eddy diffusion tensor actually does represent advection--a 'correction' to the Eulerian-mean circulation), it can be applied to simulate both the small- and larger-scale eddy transports of an atmospheric constituent. An effort is underway to estimate values of the eddy mixing coefficients for the Mars atmosphere using circulation data generated with the NASA Ames Mars GCM. This model simulates the three-dimensional winds in the atmosphere, and these are then used as inputs for a tracer transport model. The latter model has previously been used in interactive dust transport experiments with the Ames GCM. Idealized tracer transport experiments, with a conservative or nearly conservative hypothetical tracer, are performed to generate data from which the eddy diffusion coefficients can be estimated. Carrying out matched pairs of tracer experiments, using two very different initial states, permits all four components of the diffusion tensor to be determined. A large number of GCM experiments have been conducted, spanning a range of seasons and atmospheric dust loading, allowing the eddy mixing coefficients to be estimated for a variety of atmospheric conditions.

Barnes, J. R.↗