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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

High power rechargeable magnesium/iodine battery chemistry

Rechargeable magnesium batteries have attracted considerable attention because of their potential high energy density and low cost. However, their development has been severely hindered because of the lack of appropriate cathode materials. Here we report a rechargeable magnesium/iodine battery, in which the soluble iodine reacts with Mg 2+ to form a soluble intermediate and then an insoluble final product magnesium iodide. The liquid–solid two-phase reaction pathway circumvents solid-state Mg 2+ diffusion and ensures a large interfacial reaction area, leading to fast reaction kinetics and high reaction reversibility. As a result, the rechargeable magnesium/iodine battery shows a better rate capability (180 mAh g –1 at 0.5 C and 140 mAh g –1 at 1 C) and a higher energy density (~400 Wh kg –1 ) than all other reported rechargeable magnesium batteries using intercalation cathodes. As a result, this study demonstrates that the liquid–solid two-phase reaction mechanism is promising in addressing the kinetic limitation of rechargeable magnesium batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Feedback regulation of crystal growth by buffering monomer concentration

Abstract Crystallization is a ubiquitous means of self-assembly that can organize matter over length scales orders of magnitude larger than those of the monomer units. Yet crystallization is notoriously difficult to control because it is exquisitely sensitive to monomer concentration, which changes as monomers are depleted during growth. Living cells control crystallization using chemical reaction networks that offset depletion by synthesizing or activating monomers to regulate monomer concentration, stabilizing growth conditions even as depletion rates change, and thus reliably yielding desired products. Using DNA nanotubes as a model system, here we show that coupling a generic reversible bimolecular monomer buffering reaction to a crystallization process leads to reliable growth of large, uniformly sized crystals even when crystal growth rates change over time. Buffering could be applied broadly as a simple means to regulate and sustain batch crystallization and could facilitate the self-assembly of complex, hierarchical synthetic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A nickel-foam@carbon-shell with a pie-like architecture as an efficient polysulfide trap for high-energy Li–S batteries

A high-loading sulfur cathode is critical for establishing rechargeable lithium–sulfur (Li–S) batteries with the anticipated high energy density. However, its fabrication as well as realizing high electrochemical utilization and stability with high-loading sulfur cathodes is a daunting challenge. Here, we present a new pie-like electrode that consists of an electrocatalytic nickel-foam as a “filling” to adsorb and store polysulfide catholytes and an outer carbon shell as a “crust” for facilitating high-loading sulfur cathodes with superior electrochemical and structural stabilities. The inner electrocatalytic nickel-foam is configured to adsorb polysulfides and facilitate their redox reactions. The intertwined carbon shell assists to shield the polysulfides within the cathode region of the cell. Both the nickel-foam and the carbon shell have high conductivity and porous space, which serve simultaneously as interconnected current collectors to enhance the redox kinetics and as polysulfide reservoirs to confine the active material. The effectiveness of such a pie-like structure in improving the electrochemical efficiency enables the cathode to host an ultrahigh sulfur loading of 40 mg cm -2 and attain a high areal capacity of over 40 mA h cm -2 at a low electrolyte/sulfur (E/S) ratio of 7. The enhanced cyclability is reflected in a high reversible areal capacity approaching 30 mA h cm -2 at C/5 rate after 100 cycles and excellent rate capability up to 2C rate.

25 ENERGY STORAGE↗
DOE OSTI2024

Unraveling electrochemo-mechanical aspects of core–shell composite cathode for sulfide based all-solid-state batteries

All-solid-state lithium batteries (ASSLBs) are emerging as promising next-generation batteries for electric vehicles owing to their high energy densities and safety features. However, challenges such as inadequate material percolation and low cathode utilization often hinder their potential. This paper presents a core–shell approach to optimize the cathode active material (CAM) utilization. The resultant CAM composite showed high ionic conductivity, a highly dense microstructure with <10% porosity, and minimal stack pressure changes during electrochemical cycling. The maximum CAM utilization was achieved while effectively mitigating electrochemo-mechanical side reactions by applying a uniformly coated Li 6 PS 5 Cl solid electrolyte layer (≈500 nm) and a LiNbO 3 buffer layer (≈10 nm) onto LiNi 0.8 Mn 0.1 Co 0.1 O 2 particles (LPSCl@LNO@NMC). The engineered LPSCl@LNO@NMC composites, which incorporated a 5 wt% LPSCl coating on LNO@NMC powders, exhibited a dense microstructure that enhanced the mechanical stability at the cathode. Sulfide-based solid electrolyte (SSE)/SSE contact provided better ionic pathways within the composite and increased CAM utilization. Thus, an enhanced reversible capacity (197 mA h g -1 ) and exceptional high-rate cycling performance (86.3% capacity retention after 1000 cycles at 2C) were observed. These findings pave the way for the advancement and commercialization of high-performance ASSLBs.

25 ENERGY STORAGE↗
DOE OSTI2024

The nonlinear mechanics of highly extensible plant epidermal cell walls

Plant epidermal cell walls maintain the mechanical integrity of plants and restrict organ growth. Mechanical analyses can give insights into wall structure and are inputs for mechanobiology models of plant growth. To better understand the intrinsic mechanics of epidermal cell walls and how they may accommodate large deformations during growth, we analyzed a geometrically simple material, onion epidermal strips consisting of only the outer (periclinal) cell wall, ~7 μm thick. With uniaxial stretching by >40%, the wall showed complex three-phase stress–strain responses while cyclic stretching revealed reversible and irreversible deformations and elastic hysteresis. Stretching at varying strain rates and temperatures indicated the wall behaved more like a network of flexible cellulose fibers capable of sliding than a viscoelastic composite with pectin viscosity. We developed an analytic framework to quantify nonlinear wall mechanics in terms of stiffness, deformation, and energy dissipation, finding that the wall stretches by combined elastic and plastic deformation without compromising its stiffness. We also analyzed mechanical changes in slightly dehydrated walls. Their extension became stiffer and more irreversible, highlighting the influence of water on cellulose stiffness and sliding. This study offers insights into the structure and deformation modes of primary cell walls and presents a framework that is also applicable to tissues and whole organs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Non-Arrhenius temperature dependence of the island density of one-dimensional Al chains on Si(100): A kinetic Monte Carlo study

Classical nucleation theory predicts that the evolution of mean island density with temperature during growth in one-dimensional systems obeys the Arrhenius relation. In this study, kinetic Monte Carlo simulations of a suitable atomistic lattice-gas model were performed to investigate the experimentally observed non-Arrhenius scaling behavior of island density in the case of one-dimensional Al islands grown on Si(100). Previously, it was proposed that adatom desorption resulted in a transition temperature signaling the departure from classical predictions. Here, the authors demonstrate that desorption above the transition temperature is not possible. Instead, the authors posit that the existence of a transition temperature is due to a combination of factors such as reversibility of island growth, presence of C-defects, adatom diffusion rates, as well as detachment rates at island ends. In addition, the authors show that the anomalous non-Arrhenius behavior vanishes when adatom binds irreversibly with C-defects as observed in In on Si(100) studies.

42 ENGINEERING↗
DOE OSTI2020

Impact of Lateral Groundwater Flow and Subsurface Lower Boundary Conditions on Atmospheric Boundary Layer Development over Complex Terrain

Credible soil moisture redistribution schemes are essential to meteorological models, as lower boundary moisture influences the balance of surface turbulent fluxes and atmospheric boundary layer (ABL) development. While land surface models (LSMs) have vastly improved in their hydrologic representation, several commonly held assumptions, such as free-draining lower boundary, one-dimensional moisture flux, and lack of groundwater representation, can bias the terrestrial water balance. This study explores the impact of LSM hydrology representation on ABL development in the Weather Research and Forecasting (WRF) meteorological model. The results of summertime WRF simulations with Noah LSM, characterized by 2-m-thick soil and one-dimensional flow, are shown for a domain in the Colorado Rocky Mountain headwaters region. A reference WRF simulation is compared to 1) the same model with soil moisture initialized by the hydrologic model ParFlow; 2) a deep, free-draining simulation; and 3) WRF coupled to ParFlow, a three-dimensional, integrated groundwater-surface water model. Results show that both lateral transport of groundwater and the rate of drainage from the lower soil layer can weaken or reverse the coupling strength between evaporative fraction and ABL over a 5-month summer period. The resulting shifts in low-level moist convection in river valleys and thermally driven airflows yield strengthened anabatic upslope winds and perturbations to regional precipitation.

Forrester, Mary M.↗
DOE OSTI2022

Ecological Quality Evolution and Its Driving Factors in Yunnan Karst Rocky Desertification Areas

Rocky desertification is a key element affecting regional ecological quality. Rocky desertification in Southwest China directly affects the ecological security of the Yangtze River and Pearl River basins and also restricts regional economic and social development. In order to clarify the evolution laws and key influencing factors of ecological quality in Yunnan karst rocky desertification areas, a quantitative analysis based on the remote sensing-based ecological index (RSEI) model was conducted to explore the overall evolution characteristics and change laws of ecological quality in Yunnan karst rocky desertification areas in the past 30 years. The correlation between RSEI, rock outcrop rate (Fr), and driving factors was determined by redundancy analysis. The results showed the following: (1) RSEI in Yunnan karst rocky desertification areas generally showed a decreasing trend, with a fluctuation in the mid-term, followed by a tendency to recover. It fell into three stages: decline, trough, and recovery, with fitting coefficients of -0.121, -0.057, and 0.157, respectively. In contrast, Fr showed an opposite tendency, illustrating the inverse relationship between RSEI and Fr, and the rate of sequential succession was much faster than that of the reverse succession under human measures of intervention. (2) The mean value of RSEI of Yunnan karst rocky desertification areas was generally lower than that of the total Yunnan Province land areas and Yunnan non-karst rocky desertification areas, but the mean value of Fr was generally more than that of both the above-mentioned areas. In addition, the RSEI and Fr of Yunnan karst rocky desertification areas both showed lower stability values than those of both the above-mentioned areas. This generally suggested a low ecological quality and a high degree of desertification under a low stability in Yunnan karst rocky desertification areas. (3) The correlation of RSEI and Fr with driving factors followed the order of topographic factors, soil factors > water factors > anthropogenic factors. Anthropogenic factors were the driving force changing the state of rocky desertification, geological factors such as topography and soil to a larger extent determined the original macroscopic ecological relationship of rocky desertification, and water factors lay between the above two. The findings of this research will provide theoretical support and a basis for the improvement of ecological quality and comprehensive control of karst rocky desertification in Yunnan Province.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Fast Growth of Ga2O3 on Highly Offcut (100)-Oriented Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. More importantly, the impact ionization coefficients along the [100] direction are low, leading to the highest possible critical fields. This is advantageous compared to the current state of the art, (001), due to reduced surface defects and increased possible breakdown voltage. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption, and on-axis (100) growth easily forms twin domains. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction. These films show step-flow growth from (20-1) step-edges and high electron mobility due to suppressed twins. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (>5 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3 and critical breakdown field in Schottky barrier diodes comparable with state-of-the-art (001) Ga2O3 without edge termination.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Control of forebody three-dimensional flow separations

Some experiments involving the development of the turbulent symmetric vortex flow about the lee side of a 5 deg semiangle conical forebody at high relative incidence are discussed. The cone was immersed in a Mach 0.6 airstream at a Reynolds number of 13.5 million based on the 1.4 - m axial length of the cone. Novel means of controlling the degree of asymmetry using blowing very close to the nose were investigated. Small amounts of air injected normally or tangentially to the cone surface, but on one side of the leeward meridian and beneath the vortex farthest from the wall, were effective in biasing the asymmetry. With this reorientation of the forebody vortices, the amplitude of the side force could be reduced to the point where its direction was reversed. This phenomenon could be obtained either by changing the blowing rate at constant incidence or by changing incidence at constant blowing rate. Normal injection was more effective than tangential injection. An organized and stable flow structure emerged with the jet vortices positioned above the forebody vortices.

Peake, D. J.↗
NASA NTRS1997

Honeycomb Core Permeability Under Mechanical Loads

A method for characterizing the air permeability of sandwich core materials as a function of applied shear stress was developed. The core material for the test specimens was either Hexcel HRP-3/16-8.0 and or DuPont Korex-1/8-4.5 and was nominally one-half inch thick and six inches square. The facesheets where made of Hercules' AS4/8552 graphite/epoxy (Gr/Ep) composites and were nominally 0.059-in. thick. Cytec's Metalbond 1515-3M epoxy film adhesive was used for co-curing the facesheets to the core. The permeability of the specimens during both static (tension) and dynamic (reversed and non-reversed) shear loads were measured. The permeability was measured as the rate of air flow through the core from a circular 1-in2 area of the core exposed to an air pressure of 10.0 psig. In both the static and dynamic testing, the Korex core experienced sudden increases in core permeability corresponding to a core catastrophic failure, while the URP core experienced a gradual increase in the permeability prior to core failure. The Korex core failed at lower loads than the HRP core both in the transverse and ribbon directions.

Glass, David E.↗
NASA NTRS1988

The relationship between the Eddington limit, the observed upper luminosity limit for massive stars, and the luminous blue variables

The observed upper luminosity limits in the Galaxy and the LMC are compared with the Eddington limit as estimated for plane-parallel LTE model atmospheres which include the full effects of metal line opacities in the ultraviolet. It is shown that the Humphreys-Davidson (HD) limit corresponds to the locus of extremely low effective gravities. This result suggests that stars approaching the HD limit will suffer high mass-loss rates because of the reduction of the effective gravity due to radiation pressure. These high mass-loss rates ultimtely lead to the core mass fraction reaching its critical value and the reversal of the stellar evolution tracks. It is shown that radiation pressure, as an agent for producing enhanced mass loss near the HD limit, can in a natural way explain the kink in the HD limit near T(eff) roughly 10,000 K and the upper luminosity limit for yellow and red supergiants. The high mass-loss rates of the luminous blue variables, their location in the HR diagram, and their evolutionary stage are also discussed.

Lamers, Henny J. G. L. M.↗
DOE OSTI2017

First-principles and model simulation of all-optical spin reversal

All-optical spin switching is a potential trailblazer for information storage and communication at an unprecedented fast rate free of magnetic fields. However, the current wisdom is largely based on semiempirical models of effective magnetic fields and heat pulses, so it is difficult to provide high-speed design protocols for actual devices. In this paper we carry out a massively parallel first-principles and model calculation for 13 spin systems and magnetic layers, free of any effective field, to establish a simpler and alternative paradigm of laser-induced ultrafast spin reversal and to point out a path to a full-integrated photospintronic device. It is the interplay of the optical selection rule and sublattice spin orderings that underlines seemingly irreconcilable helicity-dependent and -independent switchings. Using realistic experimental parameters, we predict that strong ferrimagnets, in particular, Laves phase C15 rare-earth alloys, meet the telecommunication energy requirement of 10 fJ, thus allowing a cost-effective subpicosecond laser to switch spin in the gigahertz region.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Translational control of a graphically simulated robot arm by kinematic rate equations that overcome elbow joint singularity

An operator commands a robot hand to move in a certain direction relative to its own axis system by specifying a velocity in that direction. This velocity command is then resolved into individual joint rotational velocities in the robot arm to effect the motion. However, the usual resolved-rate equations become singular when the robot arm is straightened. To overcome this elbow joint singularity, equations were developed which allow continued translational control of the robot hand even though the robot arm is (or is nearly) fully extended. A feature of the equations near full arm extension is that an operator simply extends and retracts the robot arm to reverse the direction of the elbow bend (difficult maneuver for the usual resolved-rate equations). Results show successful movement of a graphically simulated robot arm.

Barker, L. K.↗
NASA NTRSDate not supplied

Projecting the Performance of a Continuous Bosch Carbon Dioxide Reduction System

Kinetic studies using a subscale reactor were used to develop power-law rate equations for the two primary reactions contributing to the Bosch carbon dioxide reduction process: the reverse water-gas shift reaction and the carbon monoxide hydrogenation reaction. An alloy catalyst in bead form was used in these studies, which investigated both the dependence on gas composition and the dependence on time as the beads gradually disintegrate during carbon formation. Bead disintegration impacts both the rates and the relative activities of the two primary reactions. Although the kinetic testing was conducted in a single-pass mode, the target Bosch application requires operation in a recycle mode to achieve high conversion. Further, the proposed design concept for a full-scale carbon dioxide reduction system would allow carbon to be removed continuously in contrast to previous Bosch processes that required replacement of expendable catalyst cartridges. The developed power-law kinetic rate equations were used in conjunction with a reactor model to project the operating conditions, performance, and sizing of a continuous Bosch system.

carbon dioxide reduction↗
NASA NTRS2011

Optimized Li-Ion Electrolytes Containing Triphenyl Phosphate as a Flame-Retardant Additive

A number of future NASA missions involving the exploration of the Moon and Mars will be human-rated and thus require high-specific-energy rechargeable batteries that possess enhanced safety characteristics. Given that Li-ion technology is the most viable rechargeable energy storage device for near-term applications, effort has been devoted to improving the safety characteristics of this system. There is also a strong desire to develop Li-ion batteries with improved safety characteristics for terrestrial applications, most notably for hybrid electric vehicle (HEV) and plug-in hybrid electric vehicle (PHEV) automotive applications. Therefore, extensive effort has been devoted recently to developing non-flammable electrolytes to reduce the flammability of the cells/battery. A number of electrolyte formulations have been developed, including systems that (1) incorporate greater concentrations of the flame-retardant additive (FRA); (2) use di-2,2,2-trifluoroethyl carbonate (DTFEC) as a co-solvent; (3) use 2,2,2- trifluoroethyl methyl carbonate (TFEMC); (4) use mono-fluoroethylene carbonate (FEC) as a co-solvent and/or a replacement for ethylene carbonate in the electrolyte mixture; and (5) utilize vinylene carbonate as a "SEI promoting" electrolyte additive, to build on the favorable results previously obtained. To extend the family of electrolytes developed under previous work, a number of additional electrolyte formulations containing FRAs, most notably triphenyl phosphate (TPP), were investigated and demonstrated in experimental MCMB (mesocarbon micro beads) carbon- LiNi(0.8)Co(0.2)O2 cells. The use of higher concentrations of the FRA is known to reduce the flammability of the electrolyte solution, thus, a concentration range was investigated (i.e., 5 to 20 percent by volume). The desired concentration of the FRA is the highest amount tolerable without adversely affecting the performance in terms of reversibility, ability to operate over a wide temperature range, and the discharge rate capability. The use of fluorinated carbonates, much in the same manner as the incorporation of fluorinated ester-based solvents, was employed to reduce the inherent flammability of mixtures. Thus, electrolyte formulations that embody both approaches are anticipated to have much lower flammability, resulting in enhanced safety.

Smart, Marshall C.↗
DOE OSTI2023

Anomalously abrupt switching of wurtzite-structured ferroelectrics: simultaneous non-linear nucleation and growth model

Ferroelectric polarization switching is one common example of a process that occurs via nucleation and growth, and understanding switching kinetics is crucial for applications such as ferroelectric memory. Here we describe and interpret anomalous switching dynamics in the wurtzite-structured nitride thin film ferroelectrics Al 0.7 Sc 0.3 N and Al 0.94 B 0.06 N using a general model that can be directly applied to other abrupt transitions that proceed via nucleation and growth. When substantial growth and impingement occur while nucleation rate is increasing, such as in these wurtzite-structured ferroelectrics under high electric fields, abrupt polarization reversal leads to very large Avrami coefficients ( e.g., n = 11), inspiring an extension of the KAI (Kolmogorov–Avrami–Ishibashi) model. We apply this extended model to two related but distinct scenarios that crossover between (typical) behavior described by sequential nucleation and growth and a more abrupt transition arising from significant growth prior to peak nucleation rate. This work therefore provides a more complete description of general nucleation and growth kinetics applicable to any system while specifically addressing the anomalously abrupt polarization reversal behavior in new wurtzite-structured ferroelectrics.

36 MATERIALS SCIENCE↗