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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Visualizing Interfacial Jamming Using an Aggregation-Induced-Emission Molecular Reporter

With the interfacial jamming of nanoparticles (NPs), a load-bearing network of NPs forms as the areal density of NPs increases, converting the assembly from a liquid-like into a solid-like assembly. Unlike vitrification, the lineal packing of the NPs in the network is denser, while the remaining NPs can remain in a liquid-like state. It is a challenge to determine the point at which the assemblies jam, since both jamming and vitrification lead to a solid-like behavior of the assemblies. Herein, we show a real-time fluorescence imaging method to probe the evolution of the interfacial dynamics of NP surfactants at the water/oil interface using aggregation-induced emission (AIE) as a reporter for the transition of the assemblies into the jammed state. The AIEgens show typical fluorescence behavior at densities at which they can move and rotate. However, when aggregation of these fluorophores occurs, the smaller intermolecular separation distance arrests rotation, and a significant enhancement in the fluorescence intensity occurs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

A new furnace for high gradient directional growth

A new design furnace for high gradient solidification of in-situ composites is presented. Its essential feature is the direct addition of heat to one side of a thin, pancake-like layer of liquid, and continuous withdrawal of a solid crystal from the other side. Liquid in the thin layer is continuously replenished by solid or liquid feed, and the thinness of the layer permits a large heat throughput with a high temperature gradient without excessive metal superheat. The commercial advantages of this design are improved process efficiency in scale-up, lower melt temperatures, and control of interface morphology by adjusting heater position and temperature. The furnace was tested on Sn-Pb and Al-Cu alloys, obtaining 100C/mm gradients for 6 mm specimens of Al-31.5 % Cu alloy.

Flemings, M. C.↗
NASA NTRS2011

ARES I Upper Stage Subsystems Design and Development

From 2005 through early 2011, NASA conducted concept definition, design, and development of the Ares I launch vehicle. The Ares I was conceived to serve as a crew launch vehicle for beyond-low-Earth-orbit human space exploration missions as part of the Constellation Program Architecture. The vehicle was configured with a single shuttle-derived solid rocket booster first stage and a new liquid oxygen/liquid hydrogen upper stage, propelled by a single, newly developed J-2X engine. The Orion Crew Exploration Vehicle was to be mated to the forward end of the Ares I upper stage through an interface with fairings and a payload adapter. The vehicle design passed a Preliminary Design Review in August 2008, and was nearing the Critical Design Review when efforts were concluded as a result of the Constellation Program s cancellation. At NASA Glenn Research Center, four subsystems were developed for the Ares I upper stage. These were thrust vector control (TVC) for the J-2X, electrical power system (EPS), purge and hazardous gas (P&HG), and development flight instrumentation (DFI). The teams working each of these subsystems achieved 80 percent or greater design completion and extensive development testing. These efforts were extremely successful representing state-of-the-art technology and hardware advances necessary to achieve Ares I reliability, safety, availability, and performance requirements. This paper documents the designs, development test activity, and results.

Frate, David T.↗
DOE OSTI2026

Rational Design of Weakly‐Solvating Molecules for Salt‐In‐Pre‐Ionic‐Liquid Electrolytes for Li Metal Batteries

Lithium metal batteries (LMBs) promise step‐changes in energy densities but suffer from poor cycle life due to unstable electrolyte‐lithium interfaces. Conventional carbonate electrolytes exhibit excessive lithium‐ion solvation and low oxidative stability, leading to rapid capacity loss. Herein, we report a rationally designed weakly‐solvating cyclic sulfonamide, 1‐trifluoromethanesulfonyl)amide pyrrolidine (TFMSPyr), which integrates an electron‐withdrawing trifluoromethanesulfonyl functional group at pyrrolidinic‐N. TFMSPyr acts as a pre‐ionic‐liquid solvent that forms intrinsically localized, anion‐dominated solvation, coupling molecular architecture, solvation topology, and transport dynamics. As a result, LiFSI based salt‐in‐pre‐ionic‐liquid (SIPIL) electrolytes exhibit high lithium‐ion transference number, oxidative stability > 5 V versus Li/Li + and anion‐derived solid electrolyte interphases (SEI). Li||Cu cells with SIPIL deliver a first cycle Coulombic efficiency (CE) of ≈ 99% with average CE of 99.2% for 100 cycles, and lithium half‐cells with lithium iron phosphate (LFP) cathode exhibit 82% capacity retention after 400 cycles with CE of 99.98%. In anode‐free full cells, 95% of initial capacity is retained after 63 cycles with an average CE of 99.5%. These results demonstrate that molecular engineering of solvents offers a powerful pathway to stabilize lithium metal interfaces and enable practical Anodeless LMBs.

25 ENERGY STORAGE↗
NASA NTRS1996

Equilibrium Fluid Interface Behavior Under Low- and Zero-Gravity Conditions

The mathematical basis for the forthcoming Angular Liquid Bridge investigation on board Mir is described. Our mathematical work is based on the classical Young-Laplace-Gauss formulation for an equilibrium free surface of liquid partly filling a container or otherwise in contact with solid support surfaces. The anticipated liquid behavior used in the apparatus design is also illustrated.

Concus, Paul↗
DOE OSTI2022

Understanding Solid-Electrolyte Interphase Formation at the Lithium Metal Anode of Lithium-Sulfur Batteries

Lithium-sulfur (Li-S) batteries are one of the most promising chemistries for the next generation of energy storage devices. In a standard Li-S cell, the metallic lithium anode is an essential component of the battery due to its low density, extremely high theoretical specific capacity, and very low negative electrochemical potential. However, several challenges related to the use of Li metal have prevented this battery technology from becoming commercially available. For instance, Li-anodes are highly reactive, which results in the continuous decomposition of the electrolyte and the formation of the solid-electrolyte interphase (SEI) layer. This, combined with the non-uniform deposition of Liions during plating at the anode surface, can seriously affect the performance, cycling, and safety of the battery. In addition, it has been suggested that a controlled SEI formation at the metallic Li anode can yield enhanced battery performance. Hence, a comprehensive understanding of how the SEI layer is formed can help elucidate improvements in this battery technology. In this work, the formation of the SEI layer in Li-S batteries is investigated using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. The stability of liquid organic-based electrolyte components, salt concentration, electron-rich environments, and the use of inorganic solid-state electrolyte (SSE) materials are explored in order to provide molecular-level fundamental insights into how the nature and composition of the electrolyte can alter the initial stages of the SEI formation. The products of electrolyte decomposition and electro-/chemical reaction pathways of liquid electrolyte component such as solvent and salts are predicted from AIMD simulations of electrolyte-anode interfaces. Energetics of reactions from DFT ground-state optimizations are also presented to confirm the decomposition mechanisms. Some significant differences are then drawn regarding the use of low and high salt concentrations. Simulations under electron-rich environments show additional multielectron electrochemical reactions of solvent and salt decomposition taking place due to the excess of electrons and the presence of radical anions in the solution. Finally, the initial stages of formation, stability, and main constituents of interfaces between Li-metal and Sbased electrodes with sulfide-based SSEs are characterized in detail.

25 ENERGY STORAGE↗
DOE OSTI2023

Influence of liquid conductance on the temporal evolution of self-organization patterns in atmospheric pressure DC glow discharges

Abstract Self-Organized Patterns (SOPs) at plasma-liquid interface in atmospheric pressure plasma discharges refer to the formation of intricate and puzzling structures due to the interplay of electrodynamic and hydrodynamic processes. Studies conducted to date have shown that this phenomenon results in the formation of distinctive patterns such as circular ring, star, gear, dots, spikes, etc., and primarily depends on working gas, electrolyte type, gap distance, current, conductivity, etc. However, an adequate understanding of how these patterns change from one type to another is still not available. This study aims to elucidate the influence of initial liquid conductance ( σ i ) on the temporal evolution of SOPs in liquid-anode discharges. The discharge was generated in a pin-to-liquid anode configuration at a constant helium (He) flow rate of 500 sccm and DC applied voltage of 6 kV at a gap distance of 12 mm. Through the gradual increment of σ i from 1.8 μ S to 4820 μ S, we observe that the trend in the evolution of SOPS takes place as solid discs, spikes, dots, rings, double rings, and stars. The continuous formation of reactive species onto the liquid anode in all conductive solutions results in a decrease in pH, an increase in bulk liquid temperature, and an increase in total dissolved solutes, and these have been confirmed through experimental measurements. Observations using optical emission spectroscopy show that the electrons at the plasma-liquid interface participate in the reduction of cations followed by their excitation & ionization due to which electron density as well as emissions from excited species (mainly hydroxyl radicals & excited nitrogen) decrease with time. Our investigation provides experimental evidence on the presence of cations at the plasma-liquid interface required for SOP formation.

Physics↗
DOE OSTI2022

Particle phase-state variability in the North Atlantic free troposphere during summertime is determined by atmospheric transport patterns and sources

Abstract. Free tropospheric aerosol particles have important but poorly constrained climate effects due to transformations of their physicochemical properties during long-range transport. In this study, we investigate the chemical composition and provide an overview of the phase states of individual particles that have undergone long-range transport over the North Atlantic Ocean in June and July 2014, 2015, and 2017 to the Observatory of Mount Pico (OMP) in the Azores. The OMP is an ideal site for studying long-range-transported free tropospheric particles because local emissions have a negligible influence and contributions from the boundary layer are rare. We used the FLEXible PARTicle Lagrangian particle dispersion model (FLEXPART) to determine the origins and transport trajectories of sampled air masses and found that most of them originated from North America and recirculated over the North Atlantic Ocean. The FLEXPART analysis showed that the sampled air masses were highly aged (average plume age >10 d). Size-resolved chemical compositions of individual particles were probed using computer-controlled scanning electron microscopy with an energy-dispersive X-ray spectrometer (CCSEM-EDX) and scanning transmission X-ray microscopy with near-edge X-ray absorption fine structure spectroscopy (STXM-NEXAFS). CCSEM-EDX results showed that the most abundant particle types were carbonaceous (∼ 29.9 % to 82.0 %), sea salt (∼ 0.3 % to 31.6 %), and sea salt with sulfate (∼ 2.4 % to 31.5 %). We used a tilted stage interfaced within an environmental scanning electron microscope (ESEM) to determine the phase states of individual submicron particles. We found that most particles (∼ 47 % to 99 %) were in the liquid state at the time of collection due to inorganic inclusions. Moreover, we also observed substantial fractions of solid and semisolid particles (∼ 0 % to 30 % and ∼ 1 % to 42 %, respectively) during different transport patterns and events, reflecting the particles' phase-state variability for different atmospheric transport events and sources. Combining phase state measurements with FLEXPART CO tracer analysis, we found that wildfire-influenced plumes can result in particles with a wide range of viscosities after long-range transport in the free troposphere. We also used temperature and RH values extracted from the Global Forecast System (GFS) along the FLEXPART-simulated path to predict the phase state of the particles during transport and found that neglecting internal mixing with inorganics would lead to an overestimation of the viscosity of free tropospheric particles. Our findings warrant future investigation aiming at the quantitative assessment of the influence of internal mixing on the phase states of the individual particles. This study also provides insights into the chemical composition and phase state of free tropospheric particles, which can help models to reduce uncertainties about the effects of ambient aerosol particles on climate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Keyhole and weld shapes for plasma arc welding under normal and zero gravity

A first order study of the interfacial (keyhole) shape between a penetrating argon plasma arc jet and a stationary liquid metal weld pool is presented. The interface is determined using the Young-Laplace equation by assuming that the plasma jet behaves as a one-dimensional ideal gas flow and by neglecting flow within the weld pool. The solution for the keyhole shape allows an approximate determination of the liquid-solid metal phase boundary location based on the assumption that the liquid melt is a stagnant thermal boundary layer. Parametric studies examine the effect of plasma mass flow rate, initial plasma enthalpy, liquid metal surface tension, and jet shear on weldment shape under both normal and zero gravity. Among the more important findings of this study is that keyhole and weld geometries are minimally affected by gravity, suggesting that data gathered under gravity can be used in planning in-space welding.

Keanini, R. G.↗
DOE OSTI2026

Cathode-Confined Polysulfide Retention-Release Reprograms Li 2 S Deposition in High-Loading Li–S Batteries

High-loading lithium-sulfur (Li-S) cells operated with lean electrolyte are limited by polysulfide crossover to Li metal and by transport-limited liquid-solid conversion that forms passivating Li 2 S films. Here, we show that a cathode-facing separator coating of carboxylated multiwalled carbon nanotubes acts as a cathode-confined polysulfide reservoir with intermediate binding. Early in discharge it captures newly generated polysulfides at the separator interface, suppressing shuttle reactions. As polysulfides are consumed, the reservoir buffers concentration gradients and feeds reactants back to the cathode, shifting Li 2 S deposition from burst-like film growth to progressive, three-dimensional, porous formation. Synchrotron XRD and S K-edge XANES, together with Scharifker–Hills nucleation analysis and depth-of-discharge EIS/DRT, substantiate this coupled transport–reaction control. With 4.3 mg S cm -2 and E/S = 5, cells reach 4.2 mAh cm -2 and retain 90% capacity over 100 cycles at 20 °C.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Molten Salt Electrolytes: Computational Analysis of Transport, Electrochemical Properties and Designing New Mixtures

Electric aircraft propulsion has gained a traction over the last decade due to possible high-energy density electrochemistries with reasonable cycle life and identification of non-flammable chemistries that can guarantee much better safety. Commercial Li-ion batteries cannot reach such high capacities because of weight limitations that arise from the widely used intercalation electrodes. Also, use of organic electrolytes make them highly susceptible to fire on exposure to air and humidity. Currently, use of Lithium metal anode along with conversion electrochemistries such as Li-O2 and Li-S are being pursued to achieve such high energy densities. Safer inorganic solid-state electrolytes, recently discovered Water-in-Salt electrolytes, molten salt electrolytes are some of the alternatives being pursued for a safer/non-flammable battery. Of these safer alternatives, molten-salt electrolytes offer some attractive properties: liquid at operating temperatures resulting in better electrode-wetting, stable interface with Li-metal anodes and good ionic conductivity; their only drawback being high operating temperatures. In this talk, we will discuss some of the computational studies, driven via atomistic simulations, of the properties of molten-salt electrolytes including transport mechanism and interface stability. We will also discuss predicting electrochemical properties of these high-temperature electrolytes. Further, we will discuss a thermodynamic approach to predicting new molten-salt eutectics with lower melting points.

Molten Salt Electrolytes↗
DOE OSTI2024

Solid-state polymer-particle hybrid electrolytes: Structure and electrochemical properties

Solid-state electrolytes (SSEs) are challenged by complex interfacial chemistry and poor ion transport through the interfaces they form with battery electrodes. Here, we investigate a class of SSE composed of micrometer-sized lithium oxide (Li 2 O) particles dispersed in a polymerizable 1,3-dioxolane (DOL) liquid. Ring-opening polymerization (ROP) of the DOL by Lewis acid salts inside a battery cell produces polymer-inorganic hybrid electrolytes with gradient properties on both the particle and battery cell length scales. These electrolytes sustain stable charge-discharge behavior in Li||NCM811 and anode-free Cu||NCM811 electrochemical cells. On the particle length scale, Li 2 O retards ROP, facilitating efficient ion transport in a fluid-like region near the particle surface. On battery cell length scales, gravity-assisted settling creates physical and electrochemical gradients in the hybrid electrolytes. By means of electrochemical and spectroscopic analyses, we find that Li 2 O particles participate in a reversible redox reaction that increases the effective CE in anode-free cells to values approaching 100%, enhancing battery cycle life.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Method—Using Microelectrodes to Explore Solid Polymer Electrolytes

Solid polymer electrolytes are an emerging technology in electrochemistry driven by their use in energy applications such as fuel cells, electrolyzers, and solid-state batteries. Compared to traditional liquid electrolytes, solid polymer electrolytes provide safer, cheaper, and potentially improved device performance. However, there is a lack of standard experimental methods for studying solid electrolytes. Microelectrodes have inherent benefits capable of filling this experimental gap due primarily to their integration into model electrochemical cells with solid electrolytes that represent complex interfaces, enabling additional insight into reaction processes. In this tutorial review, we explore the use of microelectrodes to study solid polymer electrolytes, beginning with a brief history of the field including common experimental cell designs and their benefits and drawbacks. Methods of evaluating essential kinetic and mass-transport parameters are then examined. In addition, the key studies of the past 30 years utilizing microelectrode cells and solid polymer electrolytes are summarized, with important results highlighted and compared. Finally, future studies of solid polymer electrolytes with microelectrodes and potential new avenues of research are commented on.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Radio Sounding Techniques for the Galilean Icy Moons and their Jovian Magnetospheric Environment

Radio sounding of the Earth's topside ionosphere and magnetosphere is a proven technique from geospace missions such as the International Satellites for Ionospheric Studies (ISIS) and the Imager for Magnetopause-to-Aurora Global Exploration (IMAGE). Application of this technique to Jupiter's icy moons and the surrounding Jovian magnetosphere will provide unique remote sensing observations of the plasma and magnetic field environments and the subsurface conductivities, of Europa, Ganymede, and Callisto. Spatial structures of ionospheric plasma above the surfaces of the moons vary in response to magnetic-field perturbations from (1) magnetospheric plasma flows, (2) ionospheric currents from ionization of sputtered surface material, and (3) induced electric currents in salty subsurface oceans and from the plasma flows and ionospheric currents themselves. Radio sounding from 3 kHz to 10 MHz can provide the global electron densities necessary for the extraction of the oceanic current signals and supplements in-situ plasma and magnetic field measurements. While radio sounding requires high transmitter power for subsurface sounding, little power is needed to probe the electron density and magnetic field intensity near the spacecraft. For subsurface sounding, reflections occur at changes in the dielectric index, e.g., at the interfaces between two different phases of water or between water and soil. Variations in sub-surface conductivity of the icy moons can be investigated by radio sounding in the frequency range from 10 MHz to 50 MHz, allowing the determination of the presence of density and solid-liquid phase boundaries associated with oceans and related structures in overlying ice crusts. The detection of subsurface oceans underneath the icy crusts of the Jovian moons is one of the primary objectives of the Jupiter Icy Moons Orbiter (JIMO) mission. Preliminary modeling results show that return signals are clearly distinguishable be&een an ice crust with a thickness of 7 km on 1) an ocean and 2) a layer of bedrock. Knowledge of the ionospheric contributions to the time delay of the low-frequency subsurface radar is shown to be important in obtaining accurate depth information.

Green, James L.↗
DOE OSTI2025

The Chemistry, Formation and Passivation of Solid-Electrolyte Interphase (SEI) from FSI- Breakdown at Li-metal Potential

LiFSI-based liquid electrolytes are promising for realizing high Coulombic efficiency (CE) and long cycle life of next-generation high-energy Li metal battery. Nevertheless, the fundamentals of both the chemistry and formation of solid-electrolyte interphase (SEI) in these electrolytes have remained elusive. Herein, we extensively combine electrochemistry and X-ray photoelectron spectroscopy (XPS) to illustrate the reaction pathways of electrolyte decomposition, especially FSI- breakdown, as well as the dissolution trend of various inorganic SEI components. The SEI-forming reactions at Cu/electrolyte interface manifest a potential (E) dependence, driven by direct electron-transfer (ET) and Li underpotential-deposition (Li UPD) at high and low E regions, respectively. By closely correlating the XPS data obtained with and without solvent washing, we demonstrate that not all the products derived from SEI reactions are incorporated into forming a passivating surface layer, with a notable portion dissolving into liquid electrolyte instead. Importantly, high-CE electrolyte dictated by the chemical identity of solvent, is found to exhibit minimized interfacial reactivity of SEI formation enabling more effective interphasial passivation, via preferential integration of passivating ingredients such as LiF. Overall, this work formulates a systematic understating of bridging the SEI chemistry, formation and passivation while identifying key characteristics of high-performance electrolyte for guiding future design.

Bao, Zhenan [SLAC National Accelerator Laboratory ↗
DOE OSTI2025

Multistage nucleation pathway in LiF molten salt mirrors the crystal–melt interface structure

Despite over a century of studies, fundamental questions remain about the processes governing crystal nucleation from melts or solutions. Research over the past three decades has presented mounting evidence for kinetic pathways of crystal nucleation that are more complex than envisioned by the simplest forms of classical theory. Such observations have been presented for colloidal and elemental systems with covalent and metallic bonding. Despite the technological and geochemical importance of molten salts, similar studies for these ionically bonded systems are currently lacking. Here we develop a machine learning interatomic potential for a model ionic system: LiF. The potential features quantum-level accuracy for both liquid and multiple solid polymorphs over wide temperature and pressure ranges and accurately reproduces experimentally measured properties. Thanks to the efficiency of the potential, which enables microsecond-scale molecular dynamics simulations, induction times for nucleation of LiF solids from their melts are computed over a range of undercoolings. With the aid of a set of robust local order parameters established here, the simulations reveal that homogeneous crystal nucleation in undercooled melts preferentially initiates from liquid regions showing slow dynamics and high bond orientational order simultaneously, and the second-shell order of both precritical nuclei and the surface of postcritical nuclei is dominated by hexagonal close packing and body-centered cubic local structure, even though the nucleus core is dominated by face-centered cubic structure corresponding to the stable rocksalt crystal structure. Finally, we establish a connection between the crystallization pathway and the equilibrium crystal-melt interface structure.

Applied Physical Sciences↗
NASA NTRS2012

Real-Time, Non-Intrusive Detection of Liquid Nitrogen in Liquid Oxygen at High Pressure and High Flow

An integrated fiber-optic Raman sensor has been designed for real-time, nonintrusive detection of liquid nitrogen in liquid oxygen (LOX) at high pressures and high flow rates in order to monitor the quality of LOX used during rocket engine ground testing. The integrated sensor employs a high-power (3-W) Melles Griot diode-pumped, solid-state (DPSS), frequency-doubled Nd:YAG 532- nm laser; a modified Raman probe that has built-in Raman signal filter optics; two high-resolution spectrometers; and photomultiplier tubes (PMTs) with selected bandpass filters to collect both N2 and O2 Raman signals. The PMT detection units are interfaced with National Instruments Lab- VIEW for fast data acquisition. Studies of sensor performance with different detection systems (i.e., spectrometer and PMT) were carried out. The concentration ratio of N2 and O2 can be inferred by comparing the intensities of the N2 and O2 Raman signals. The final system was fabricated to measure N2 and O2 gas mixtures as well as mixtures of liquid N2 and LOX

Singh, Jagdish P.↗
NASA NTRS2006

On-orbit Performance Of The Suzaku/XRS

The Suzaku high-resolution X-Ray Spectrometer (XRS) is the first orbiting x-ray microcalorimeter. This instrument, which maintains the sensor at less than 0.1K and utilizes liquid He and solid Ne cryogens, is capable of providing very high, non-dispersive x-ray spectroscopy. The microcalorimeter approach enables increasing spectral resolving power toward increasing energy. This fundamental characteristic makes it the instrument of choice for a variety of spectral diagnostics that can be uniquely obtained from studies of Fe K-line features common in such objects as cluster of galaxies and active galaxies, to name only two important classes out of many. The array aspect allows for imaging spectroscopy of extended sources without spectral degradation. Unfortunately, a design flaw in the XRS dewar/spacecraft interface caused the premature loss of liquid helium and rendered the instrument miusable. Nonetheless, during the three weeks following the launch of Suzaku, the instrument performed extremely well and demonstrated that the basic microcalorimeter concept is sound for space applications. An energy resolution of 7 eV FWHM at 6keV was obtained in orbit as measured using internal calibration sources. We will describe the XRS design and operation, explain what happened, and then present some lessons learned for future space missions utilizing this powerful technology.

Kelley, Richard↗