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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead‐Free Halide Double Perovskites

Abstract Lead‐free halide double perovskites provide a promising solution for the long‐standing issues of lead‐containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high‐intensity illumination. Their light‐to‐electricity or thermal‐to‐electricity conversion is strongly determined by the dynamics of the corresponding lattice vibrations. Here, the measurement of lattice dynamics is presented in a prototypical lead‐free halide double perovskite(Cs 2 NaInCl 6 ). The quantitative measurements and first‐principles calculations show that the scatterings among lattice vibrations at room temperature are at the timescale of ≈1 ps, which stems from the extraordinarily strong anharmonicity in Cs 2 NaInCl 6 . Further the degree of anharmonicity of each type of atom is quantitatively characterized in the Cs 2 NaInCl 6 single crystal, which stems from the interatomic forces, and demonstrate that this strong anharmonicity is synergistically contributed by the bond hierarchy, the tilting of the NaCl 6 and InCl 6 octahedral units, and the rattling of Cs + ions. Consequently, the crystalline Cs 2 NaInCl 6 possesses an ultralow thermal conductivity of ≈0.43 W mK −1 at room temperature, and a weak temperature dependence ofT −0.41 . These findings uncovered the underlying mechanisms behind the dynamics of lattice vibrations in double perovskites, which can largely benefit the design of optoelectronics and thermoelectrics based on halide double perovskites.

Chemistry↗
NASA NTRS1982

Method of making a high voltage V-groove solar cell

A method is provided for making a high voltage multijunction solar cell. The cell comprises a plurality of discrete voltage generating regions, or unit cells, which are formed in a single semiconductor wafer and are connected together so that the voltages of the individual cells are additive. The unit cells comprise doped regions of opposite conductivity types separated by a gap. The method includes forming V-shaped grooves in the wafer and thereafter orienting the wafer so that ions of one conductivity type can be implanted in one face of the groove while the other face is shielded. A metallization layer is applied and selectively etched away to provide connections between the unit cells.

Evans, J. C., Jr.↗
DOE OSTI2020

Bi-directional tuning of thermal transport in SrCoO x with electrochemically induced phase transitions

Unlike the wide-ranging dynamic control of electrical conductivity, there does not exist an analogous ability to tune thermal conductivity by means of electric potential. The traditional picture assumes that atoms inserted into a material’s lattice act purely as a source of scattering for thermal carriers, which can only reduce thermal conductivity. In contrast, here we show that the electrochemical control of oxygen and proton concentration in an oxide provides a new ability to bi-directionally control thermal conductivity. On electrochemically oxygenating the brownmillerite SrCoO 2.5 to the perovskite SrCoO 3–δ , the thermal conductivity increases by a factor of 2.5, whereas protonating it to form hydrogenated SrCoO 2.5 effectively reduces the thermal conductivity by a factor of four. This bi-directional tuning of thermal conductivity across a nearly 10 ± 4-fold range at room temperature is achieved by using ionic liquid gating to trigger the ‘tri-state’ phase transitions in a single device. We elucidated the effects of these anionic and cationic species, and the resultant changes in lattice constants and lattice symmetry on thermal conductivity by combining chemical and structural information from X-ray absorption spectroscopy with thermoreflectance thermal conductivity measurements and ab initio calculations. This ability to control multiple ion types, multiple phase transitions and electronic conductivity that spans metallic through to insulating behaviour in oxides by electrical means provides a new framework for tuning thermal transport over a wide range.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Faster and More Accurate Transport Procedures for HZETRN

Several aspects of code verification are examined for HZETRN. First, a detailed derivation of the numerical marching algorithms is given. Next, a new numerical method for light particle transport is presented, and improvements to the heavy ion transport algorithm are discussed. A summary of various coding errors is also given, and the impact of these errors on exposure quantities is shown. Finally, a coupled convergence study is conducted. From this study, it is shown that past efforts in quantifying the numerical error in HZETRN were hindered by single precision calculations and computational resources. It is also determined that almost all of the discretization error in HZETRN is caused by charged target fragments below 50 AMeV. Total discretization errors are given for the old and new algorithms, and the improved accuracy of the new numerical methods is demonstrated. Run time comparisons are given for three applications in which HZETRN is commonly used. The new algorithms are found to be almost 100 times faster for solar particle event simulations and almost 10 times faster for galactic cosmic ray simulations.

Slaba, Tony C.↗
NASA NTRS1987

Electric propulsion options for the SP-100 reference mission

A study was conducted to compare resistojet, arcjet and ion thruster systems for use as an active load on a flight demonstration of the SP-100 nuclear power system. The dry masses of each propulsion system were calculated and assessments were made of the mission capabilities of each system based on the capabilities of a single Shuttle launch. From the analyses it was found that, for most systems, the dry mass accounted for less than 20 percent of the total propulsion system mass. The maximum velocity increments of the systems were up to 2300 m/s for resistojet, 4500 m/s for arcjet, and 24000 m/s for ion. The maximum thrusting times were up to 16 days for resistojet, 53 days for arcjet, and 853 days for ion thruster systems.

Hardy, Terry L.↗
NASA NTRS2003

Microchemical and Gaseous Sensors Using Carbon Nanotubes and MEMS Fabrication Technology

The objective of this research is to use a combination of carbon nanotubes and silicon-based microfabrication and micromachining processes to produce unique micro-sized chemical and gaseous sensors. Polished quartz substrate is used. Interdigitated structure is used for the sensing elements. Metallic catalysts for the growth of the carbon nanotube include copper, iron, nickel, and cobalt. Various thicknesses of the metallic catalysts are used in this study varying between 5 to 20 microns. Depositing of the metallic catalyst is accomplished using an ion-beam sputtering thin film technique and a shadow mask. Single wall carbon nanotubes are successfully formed over the metallic catalyst layer. Preliminary measurements of the carbon nanotubes show this nanotube contained film over the sensing elements which had a resistance value of 400 ohms at room temperature. This is a more conductive film comparing to metal oxide films, such as SnO2 or ZnO, that are now widely used in gaseous sensor research. Evaluation of the carbon nanotube film for potential gaseous sensing will be carried out.

Liu, Chung-Chiun↗
NASA NTRS2018

Simple Ion Channels: From Structure to Electrophysiology and Back

A reliable way to establish whether our understanding of a channel is satisfactory is to reproduce its measured ionic conductance over a broad range of applied voltages in computer simulations. In molecular dynamics (MD), this can be done by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. Since this approach is computationally very expensive, we have developed a markedly more efficient alternative in which MD is combined with the electrodiffusion (ED) equation. In this approach, the assumptions of the ED equation can be rigorously tested, and the precision and consistency of the calculated conductance can be determined. We have demonstrated that the full current/voltage dependence and the underlying free energy profile for a simple channel can be reliably calculated from equilibrium or non-equilibrium MD simulations at a single voltage. To carry out MD simulations, a structural model of a channel has to be assumed, which is an important constraint, considering that high-resolution structures are available for only very few simple channels. If the comparison of calculated ionic conductance with electrophysiological data is satisfactory, it greatly increases our confidence that the structure and the function are described sufficiently accurately. We examined the validity of the ED for several channels embedded in phospholipid membranes - four naturally occurring channels: trichotoxin, alamethicin, p7 from hepatitis C virus (HCV) and Vpu from the HIV-1 virus, and a synthetic, hexameric channel, formed by a 21-residue peptide that contains only leucine and serine. All these channels mediate transport of potassium and chloride ions. It was found that the ED equation is satisfactory for these systems. In some of them experimental and calculated electrophysiological properties are in good agreement, whereas in others there are strong indications that the structural models are incorrect.

molecular dynamics (MD↗
DOE OSTI2024

Exploring thermal runaway propagation in Li-ion batteries through high-speed X-ray imaging and thermal analysis: Impact of cell chemistry and electrical connections

Battery safety design is important to consider from the individual Li-ion cell to the level of the macro-system. On the macro-level, failure in one single cell can lead to propagation of the thermal runaway and rapidly set a whole battery pack on fire. Factors that can impact the propagation outcome, such as cell model/chemistry and electrical connection are here investigated using a combination of measurements. Several abusive tests were conducted, combining two different cell models (Molicel P42A and LG M50, both 21700s) in series and parallel connections (16 tests per configuration). Overall, a propagation outcome of 56% was measured from the 32 conducted tests, a minimum temperature of 150 °C was required to initiate propagation, and the fastest propagation occurred in 123 s. Temperature measurements were higher in series connected cells, initiating the discussion of cell chemistry and internal resistance on this effect. The difference in current-flow during thermal runaway in series and parallel connections, and how this can affect the temperature evolution is further discussed. Spatio-temporal mapping of X-ray radiography allowed us to derive the speed of thermal runaway evolution inside the battery and has shown that series connected cells, in particular P42A, occur faster. It was further observed that deviant sidewall behaviors such as temperature-induced breaches and pressure-induced ruptures occurred in P42As only respective nail-penetrated cells only.

25 ENERGY STORAGE↗
NASA NTRS2003

Development of Highly-Conductive Polyelectrolytes for Lithium Batteries

Future NASA and Air Force missions require reliable and safe sources of energy with high specific energy and energy density that can provide thousands of charge-discharge cycles at more than 40% depth- of-discharge and that can operate at low temperatures. All solid-state batteries have substantial advantages with respect to stability, energy density, storage fife and cyclability. Among all solid-state batteries, those with flexible polymer electrolytes offer substantial advantages in cell dimensionality and commensurability, low temperature operation and thin film design. The above considerations suggest that lithium-polymer electrolyte systems are promising for high energy density batteries and should be the systems of choice for NASA and US Air Force applications. Polyelectrolytes (single ion conductors) are among most promising avenues for achieving a major breakthrough 'in the applicability of polymer- based electrolyte systems. Their major advantages include unit transference number for the cation, reduced cell polarization, minimal salt precipitation, and favorable electrolyte stability at interfaces. Our research is focused on synthesis, modeling and cell testing of single ion carriers, polyelectrolytes. During the first year of this project we attempted the synthesis of two polyelectrolytes. The synthesis of the first one, the poly(ethyleneoxide methoxy acrylateco-lithium 1,1,2-trifluorobutanesulfonate acrylate, was attempted few times and it was unsuccessful. We followed the synthetic route described by Cowie and Spence. The yield was extremely low and the final product could not be separated from the impurities. The synthesis of this polyelectrolyte is not described in this report. The second polyelectrolyte, comb polysiloxane polyelectrolyte containing oligoether and perfluoroether sidechains, was synthesized in sufficient quantity to study the range of properties such as thermal stability, Li- ion- conductivity and stability toward lithium metal. Also, the batteries containing this polyelectrolyte were assembled and tested. The results are detailed below. The synthesis of another polyelectrolyte similar to polysiloxane polyelectrolyte has been started, however, the synthesis was not completed due to termination of the project.

Shriver, D. F.↗
DOE OSTI2020

Ti- and Fe-related charge transition levels in $β$ – Ga 2 O 3

Here, deep-level transient spectroscopy measurements on $β$ – Ga 2 O 3 crystals reveal the presence of three defect signatures labeled $E$ 2a , $E$ 2b , and $E$ 3 with activation energies at around 0.66 eV, 0.73 eV, and 0.95 eV below the conduction band edge. Using secondary ion mass spectrometry, a correlation between the defect concentration associated with $E$ 3 and the Ti concentration present in the samples was found. Particularly, it is found that $E$ 3 is the dominant Ti-related defect in $β$ – Ga 2 O 3 and is associated with a single Ti atom. This finding is further corroborated by hybrid functional calculations that predict Ti substituting on an octahedral Ga site, denoted as Ti GaII , to be a good candidate for $E$ 3 . Moreover, the deep level transient spectroscopy results show that the level previously labeled $E$ 2 and attributed to Fe substituting on a gallium site (FeGa) consists of two overlapping signatures labeled E2a and E2b. We tentatively assign $E$ 2a and $E$ 2b to Fe substituting for Ga on a tetrahedral or an octahedral site, respectively.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Ultrasensitive Superconducting Transition Edge Sensors Based On Electron-Phonon Decoupling

We have successfully fabricated the superconducting transition edge sensor (TES), bolometer technology that centers on the use of electron-phonon decoupling (EPD) to thermally isolate the bolometer. Along with material characterization for large format antenna coupled bolometer arrays, we present the initial test results of bolometer based on EPD designed for THz detection. We have selected a design approach that separates the two functions of photon absorption and temperature measurement, allowing separate optimization of the performance of each element. We have integrated Molybdenum/Gold (Mo/Au) bilayer TES and ion assisted thermally evaporated (IAE) Bismuth (Bi) films as radiation absorber coupled to a low-loss microstripline from Niobium (Nb) ground plane to a twin-slot antenna structure. The thermal conductance and the time constant of these devices have been measured, and are consistent with our calculations. The device exhibits a single time constant at 0.1 K of approx.160 IlS, which is compatible with readout by a high-bandwidth single SQUID or a time domain SQUID multiplexer. The effects of thermal conductance and electrothermal feedback are major determinants of the time constant, but the electronic heat capacity also plays a major role. The NEP achieved in the device described above is 2.5x10(exp -17)W(gamma)Hz. Our plan is to demonstrate a reduction of the volume in the superconducting element to 5 microns x 5 microns in films of half the thickness at Tc = 60mK. By calculation, this new geometry corresponds to an NEP reduction of two orders of magnitude to 2.5x10(exp -19)W/(gamma)Hz, with a time constant of ~130/ls.

Jethava, Nikhil↗
NASA NTRSDate not supplied

The NASA Space Radiation Laboratory

The Space Radiation Element (SRE) of the Human Research Program (HRP) aims to establish a robust biospecimen and tissue sharing collection (BTSC) to improve sample collection, tracking, access, distribution, and usability to maximize scientific return with intention. Future missions to the Moon, Mars, and beyond will require the appropriate characterization and mitigation of the many of the health risks associated with cosmic radiation exposure. An ongoing partnership between the National Aeronautics and Space Agency (NASA) and the Office of Science for the U.S. Department of Energy (DOE) has established the NASA Space Radiation Laboratory (NSRL) at the DOE Brookhaven National Laboratory (BNL) to create a space radiation ground-analog. NSRL provides the capability to use simulated space radiation with high energy ion beams for assessment of biological outcomes relevant space radiation risks as well as electronics testing for avionics safety. Current NSRL irradiation capabilities include a variety of exposure variables available for experimental needs: - Up to approximately 10 Gy/min dose-rates with a 20 × 20 cm 2 beam area. - Down to several hundred particles within a 60 × 60 cm 2 beam area. - Dose fractionation across multiple days is also possible. - For most radiobiology experiments the exposure structure, referred to as “spills”, has a 4 second repetition time where ions are extracted uniformly during a 0.3-0.4 second spill, followed by a ~3.6 second recovery time when the beam is off. - Both single or mixed-beam field irradiations are possible including a full 33-beam GCRSim and 6-beam SimGCRSim. Biological experiment capabilities: Two labs for Cell/tissue culture procedures can be conducted in two lab spaces with a separate lab available for sample processing that contains two chemical fume hoods. Sixteen fully equipped cell culture laboratories are available in the NSRL’s Long Term Support area in the Medical Building. The current vivarium configuration can support approximately 8,000 rodents/year for animal-based experiments. The NSRL area animal husbandry system includes five caging racks with 48 spaces in each coupled to a ventilation/filtration system in largest room, and two smaller rooms with conventional caging systems. Schedule: The NSRL is nominally open for experiment scheduling during three runs per year; Spring (March – May), Summer (May - June), and Fall (Sept – Nov). NASA funding is not required for biological and electronic testing experiments at the NSRL.

Jason M Weeks↗
DOE OSTI2026

Synthesis and transport properties of epitaxial Bi (111) films on GaAs (111) substrates

In recent decades, the growth of ultrathin epitaxial bismuth (Bi) films on various substrates has garnered interest due to their unique electronic properties. We report upon the growth and electrical transport properties of epitaxial Bi (111) films in the thickness range of 5–32 nm deposited directly on GaAs (111) substrates, without a buffer layer. The quality of Bi films is found to depend on conditions for substrate treatment using Ar + ion-milling and annealing. Substrates milled at low ion beam currents display poor surface reconstruction after annealing, which hinders the growth of high-quality films. In contrast, substrates milled under optimized conditions led to reconstructed surfaces upon annealing, resulting in epitaxial Bi films with predominantly single-domain orientation. Although epitaxial films formed in both cases, transport measurements indicated significantly higher conductivity for films grown on optimally treated substrates. Measurements at low temperatures suggest that the transport properties are dominated by a surface state with high mobility electrons. Magneto-transport measurements suggest that conductivity and mobility improve progressively with increasing film thickness. For the thinnest 5 nm film, a hole-like state emerges, presumably as the electron-like state is gapped out. These results provide a robust methodology for growing high-quality epitaxial Bi films on GaAs (111) and offer insights into their unique transport properties and our ability to tune them.

Atomic force microscopy↗
NASA NTRS2020

Ion Channels – From Structure to Electrophysiology and Back

A reliable way to establish whether our understanding of a channel is satisfactory is to reproduce its measured ionic conductance over a broad range of applied voltages in computer simulations. In molecular dynamics (MD), this can be done by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. Since this approach is computationally very expensive, we have developed a markedly more efficient alternative in which MD is combined with the electrodiffusion (ED) equation. In this approach, the assumptions of the ED equation can be rigorously tested, and the precision and consistency of the calculated conductance can be determined. We have demonstrated that the full current/voltage dependence and the underlying free energy profile for a simple channel can be reliably calculated from equilibrium or non-equilibrium MD simulations at a single voltage. Free energy profiles can be obtained from non-equilibrium simulations without a loss of accuracy even without the knowledge of diffusion coefficient. To carry out MD simulations, a structural model of a channel has to be assumed, which is an important constraint, considering that high-resolution structures are available for only very few simple channels. If the comparison of calculated ionic conductance with electrophysiological data is satisfactory, it greatly increases our confidence that the structure and the function are described sufficiently accurately. We examined the validity of the ED for several channels embedded in phospholipid membranes - four naturally occurring channels: trichotoxin, alamethicin, p7 from hepatitis C virus (HCV) and Vpu from the HIV-1 virus, a synthetic, hexameric channel, formed by a 21-residue peptide that contains only leucine and serine and a bacterial pentameric ligand-gated ion channel, GLIC. All these channels mediate transport of potassium and chloride ions. It was found that the ED equation is satisfactory for these systems. In some of them, experimental and calculated electrophysiological properties are in good agreement, whereas in others there are strong indications that the structural models are incorrect.

Pohorille, Andrew↗
DOE OSTI2020

Ion-Exchange Modeling of Crystalline Silicotitanate for Cesium Removal - 20283

The Tank Closure Cesium Removal (TCCR) system is a Savannah River Site (SRS) demonstration 'at-tank' process designed to remove {sup 137}Cs from the high-level aqueous tank waste so that the decontaminated solution can be disposed as low-level waste. Cesium is removed by ion exchange (IX) columns using engineered IONSIV{sup TM} R9120-B form of the Crystalline Silicotitanate (CST) media. The TCCR system is deployed at Tanks 10 and Tank 11 in the SRS H Tank Farm. Water is added to the salt-cake in Tank 10 H to dissolve it. The dissolved salt solution waste is pumped out of Tank 10H (feed tank), through filters and IX columns. The decontaminated salt solution is transferred to Tank 11 (receipt tank), and on to Tank 50H for final disposal in the Saltstone Production Facility. The current TCCR can accommodate lead-lag (two-column) or lead-lag-guard (three-column) configurations to optimize media utilization and achieve the target decontamination. To assist the TCCR operations, a parametric study was conducted to evaluate the impact of different parameters (e.g., column configurations (single column, two columns or three columns in series), waste characteristics, operating temperature, process flow rate, CST average particle size) on the IX column performance including CST bed utilization. The initial results indicate that the IX column performance is improved at slower process flow rate, at lower operating temperature, and with smaller CST average particle size. Multi-column configurations are recommended, because the single-column configuration does not utilize CST bed effectively. This paper demonstrates the versatility of the ion exchange modeling to evaluate the effects of CST characteristics and operational parameters on IX column performances. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

A New Class of Ionically Conducting Fluorinated Ether Electrolytes with High Electrochemical Stability

Increasing battery energy density is greatly desired for applications such as portable electronics and transportation. However, many next-generation batteries are limited by electrolyte selection because high ionic conductivity and poor electrochemical stability are typically observed in most electrolytes. For example, ether-based electrolytes have high ionic conductivity but are oxidatively unstable above 4 V, which prevents the use of high-voltage cathodes that promise higher energy densities. In contrast, hydrofluoroethers (HFEs) have high oxidative stability but do not dissolve lithium salt. Here, we synthesize a new class of fluorinated ether electrolytes that combine the oxidative stability of HFEs with the ionic conductivity of ethers in a single compound. We show that conductivities of up to 2.7 × 10 –4 S/cm (at 30 °C) can be obtained with oxidative stability up to 5.6 V. The compounds also show higher lithium transference numbers compared to typical ethers. Furthermore, we use nuclear magnetic resonance (NMR) and molecular dynamics (MD) to study their ionic transport behavior and ion solvation environment, respectively. Finally, we demonstrate that this new class of electrolytes can be used with a Ni-rich layered cathode (NMC 811) to obtain over 100 cycles at a C/5 rate. The design of new molecules with high ionic conductivity and high electrochemical stability is a novel approach for the rational design of next-generation batteries.

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

Mosaic Cu I −Cu II −In III 2D Perovskites: Pressure‐Dependence of the Intervalence Charge Transfer and a Mechanochemical Alloying Method

Abstract The perovskite (BA) 4 [Cu II (Cu I In III ) 0.5 ]Cl 8 ( 1 BA ; BA + =butylammonium) allows us to study the high‐pressure structural, optical, and transport properties of a mixed‐valence 2D perovskite. Compressing 1 BA reduces the onset energy of Cu I/II intervalence charge transfer from 1.2 eV at ambient pressure to 0.2 eV at 21 GPa. The electronic conductivity of 1 BA increases by 4 orders of magnitude upon compression to 20 GPa, when the activation energy for conduction decreases to 0.16 eV. In contrast, Cu II perovskites achieve similar conductivity at ≈50 GPa. The solution‐state synthesis of these perovskites is complicated, with more undesirable side products likely from the precursor mixtures containing three different metal ions. To circumvent this problem, we demonstrate an efficient mechanochemical synthesis to expand this family of halide perovskites with complex composition by simply pulverizing together powders of 2D Cu II single perovskites and Cu I In III double perovskites.

Li, Jiayi↗
NASA NTRS1998

Measurement of OH, H2SO4, MSA, DMSO, DMSO2 on the NASA P-3B Aircraft

This project involves the deployment of a variety of unique aircraft measurements for the PEM-Tropics program. These measurements were all to be accomplished on a near simultaneous basis using a two channel selected ion chemical ionization mass spectrometer instrument. The first year of this project consisted of four components; improve and perform additional testing of the OH, H2SO4, and MSA instrument which had only flown on one previous mission (ACE-I); develop and test the vacuum and electronic hardware and software which would allow two independent mass spectrometer systems to be operated from a single instrument (one vacuum/pumping system); construct an aircraft compatible DMSO/DMS02 ion source and calibration system; and operate the above system on the NASA P-3B during PEM-Tropics. The first two of the components were to be accomplished at NCAR. The third component was to be completed at Georgia Tech and the fourth was to be conducted by researchers from both institutions on the NASA P-3B.

Eisele, F. L.↗