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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Oxygen Vacancy Evolution at Li x V 2 O 5 /LiPON Solid State Electrochemical Interfaces Using Depth Resolved Cathodoluminescence Spectroscopy

The formation of oxygen vacancies at buried LiPON/ Li x V 2 O 5 interfaces has been observed on a near-nanometer scale and nondestructively using depth-resolved cathodoluminescence spectroscopy (DRCLS) and interfacial markers. Before electrochemical cycling, as-deposited LiPON/Li x V 2 O 5 exhibits a 1.6 eV defect optical emission, which density functional theory calculations identify as originating from oxygen vacancies. This defect appears first within a few nanometers of the buried LiPON/Li x V 2 O 5 interface without cycling, indicating that spontaneous O diffusion from the Li x V 2 O 5 lattice into LiPON may have caused these interface-localized oxygen vacancy defects. DRCLS measured the intensity and spatial distribution of this oxygen vacancy signal as a function of electrochemical cycling in a LiPON/Li x V 2 O 5 half-cell, showing oxygen vacancy signal increasing and moving deeper into the electrode with increased cycle number. Significant electrochemical irreversibility was also observed, with poor Coulombic efficiency and a 15% drop in capacity over 50 cycles. Theoretical simulations predict that the presence of oxygen vacancies increases the energy barrier for lithium diffusion significantly, indicating that this aggregation of oxygen vacancies could be another battery degradation mechanism accompanying lithiation induced phase changes.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Techniques for improving the Si-SiO2 interface characterization

The two techniques which have provided most of the information on interface states in MIS-C (metal-insulator-semiconductor-capacitor) structures are the 'quasi-static method' and the 'conductance method'. Sher et al. (1979) and Su et al. (1980) have suggested a number of improvements concerning these methods. The present investigation has the objective to extend the earlier results and to offer a new tentative interpretation of the data. A critical review is conducted of the data collection and reduction techniques for the quasi-static method, taking into account the sample, the quasi-static capacitance, and the surface potential. In connection with a discussion of the conductance method, attention is given to parallel conductance and capacitance measurements, interface-state densities, time constants, and measurements on a (110) surface orientation.

Sher, A.↗
NASA NTRS1984

Space-charge behavior of 'Thin-MOS' diodes with MBE-grown silicon films

Basic theoretical and experimental characteristics of a novel 'Thin-MOS' technology, which has promising aspects for integrated high-frequency devices up to several hundred gigahertz are presented. The operation of such devices depends on charge injection into undoped silicon layers of about 1000-A thickness, grown by molecular beam epitaxy on heavily doped substrates, and isolation by thermally grown oxides of about 100-A thickness. Capacitance-voltage characteristics measured at high and low frequencies agree well with theoretical ones derived from uni and ambipolar space-charge models. It is concluded that after oxidation the residual doping in the epilayer is less than approximately 10 to the 16th/cu cm and rises by 3 orders of magnitude at the substrate interface within less than 100 A and that interface states at the oxide interface can be kept low.

Lieneweg, U.↗
DOE OSTI2021

Extracellular electron transfer across bio-nano interfaces for CO 2 electroreduction

Acetogenic bacteria represent a class of organisms capable of converting reducing equivalents and carbon dioxide into products with carbon–carbon bonds. Materials-based bio-electrochemical approaches are attractive for supplying biological organisms directly with grid-supplied electrons to convert carbon dioxide to value-added chemicals. Carbon nanotube-modified biocathodes have emerged as promising candidates for microbial electrosynthesis with high yields of carbon product formation, but a fundamental understanding of extracellular charge transfer at this electrode-biofilm interface is still lacking. Here, we utilize solid-state interfaces between semiconducting single-walled carbon nanotubes (s-SWCNT) and a model acetogenic bacterium for mechanistic studies of electro-catalytic CO 2 conversion to acetate. Studies of bacteria/s-SWCNT interactions in a transistor-based device suggest direct extracellular electron transfer (EET) at the bio-nano interface. Deuterium isotope labeling experiments confirmed that the availability of electrochemically produced H 2 as a redox mediator does not limit the efficiency of EET and CO 2 electro-reduction for C. ljungdahlii biofilms, suggesting the primary reducing equivalents are the electrons delivered across the electrode/bacterium interface or involvement of biological redox mediators. Additional isotope labeling studies demonstrate high Faradaic efficiency for CO 2 electro-reduction at the SWCNT/bacterium interface. These results provide important information about EET across the bacterium/material interface in a model biocathode.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2016

Lunar Entry Downmode Options for Orion

For Exploration Missions 1 and 2, the Orion capsules will be entering the Earth's atmosphere with speeds in excess of 11 km/s. In the event of a degraded Guidance, Navigation, and Control system, attempting the nominal guided entry may be inadvisable due to the potential for failures that result in a loss of vehicle (or crew, when crew are aboard). In such a case, a method of assuring Earth capture, water landing, and observence of trajectory constraints (heating, loads) is desired. Such a method should also be robust to large state uncertainty and variations in entry interface states. This document will explore four approaches evaluated and their performance in ensuring a safe return of the Orion capsule in the event of onboard system degradation.

Smith, Kelly M.↗
DOE OSTI2024

Advances in solid-state batteries: Materials, interfaces, characterizations, and devices

Solid-state batteries with features of high potential for high energy density and improved safety have gained considerable attention and witnessed fast growing interests in the past decade. Significant progress and numerous efforts have been made on materials discovery, interface characterizations, and device fabrication. Further, this issue of MRS Bulletin focuses on the current state of the art of solid-state batteries with the most important topics related to the interface issues, advanced characterizations, and electrode chemistries, aiming to provide a comprehensive perspective for the interface and characterization challenges for high-performance solid-state battery devices.

25 ENERGY STORAGE↗
DOE OSTI2020

Garnet-Type Solid-State Electrolytes: Materials, Interfaces, and Batteries

Solid-state batteries with desirable advantages, including high-energy density, wide temperature tolerance, and fewer safety-concerns, have been considered as a promising energy storage technology to replace organic liquid electrolyte-dominated Li-ion batteries. Solid-state electrolytes (SSEs) as the most vital component in solid-state batteries largely lead the future battery development. Among different types of solid-state electrolytes, garnet-type Li 7 La 3 Zr 2 O 12 (LLZO) solid-state electrolytes have particularly high ionic conductivity (10 –3 to 10 –4 S/cm) and good chemical stability against Li metal, offering a great opportunity for solid-state Li-metal batteries. Since the discovery of garnet-type LLZO in 2007, there has been an increasing interest in the development of garnet-type solid-state electrolytes and all solid-state batteries. Garnet-type electrolyte has been considered one of the most promising and important solid-state electrolytes for batteries with potential benefits in energy density, electrochemical stability, high temperature stability, and safety. In this Review, we will survey recent development of garnet-type LLZO electrolytes with discussions of experimental studies and theoretical results in parallel, LLZO electrolyte synthesis strategies and modifications, stability of garnet solid electrolytes/electrodes, emerging nanostructure designs, degradation mechanisms and mitigations, and battery architectures and integrations. We will also provide a target-oriented research overview of garnet-type LLZO electrolyte and its application in various types of solid-state battery concepts (e.g., Li-ion, Li–S, and Li–air), and we will demonstrate opportunities and perspectives as guides for future development of solid electrolytes and solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Understanding the Solid-State Electrode–Electrolyte Interface of a Model System Using First-Principles Statistical Mechanics and Thin-Film X-ray Characterization

Intermixing of atomic species at the electrode-electrolyte boundaries can impact the properties of the interfaces in solid-state batteries. Herein, this work uses first-principles statistical mechanics along with experimental characterization to understand intermixing at the electrode-electrolyte interface. For the model presented in this work, lithium manganese oxide (LiMn 2 O 4 , LMO) and lithium lanthanum titanate (Li 3x La 2/3-x TiO 3 , LLTO) are employed as the cathode and electrolyte, respectively. The results of the computational work show that Ti-Mn intermixing at the interface is significant at synthesis temperatures. The experimental results in this work find that, at some critical temperatures between 600 and 700 degrees C for material preparation, the interface of LLTO-LMO becomes blurred. Calculations predict that the interface is unstable with regard to Ti-Mn intermixing starting at 0 K, suggesting that the critical temperature found in the experiment is related to kinetics. The work overall suggests that, in designing a solid-state battery, the fundamental reactions such as intermixing need to be considered.

25 ENERGY STORAGE↗
DOE OSTI2022

Probing the Atomic Scale Mechanisms of Time Dependent Dielectric Breakdown in Si/SiO 2 MOSFETs (June 2022)

Here we report on an atomic-scale study of trap generation in the initial/intermediate stages of time-dependent dielectric breakdown (TDDB) in high-field stressed (100) Si/SiO2 MOSFETs using two powerful analytical techniques: electrically detected magnetic resonance (EDMR) and near-zero-field magnetoresistance (NZFMR). We find the dominant EDMR-sensitive traps generated throughout the majority of the TDDB process to be silicon dangling bonds at the (100) Si/SiO2 interface (Pb0 and Pb1 centers) for both the spin-dependent recombination (SDR) and trap-assisted tunneling (SDTAT) processes. We find this generation to be linked to both changes in the calculated interface state densities as well as changes in the NZFMR spectra for recombination events at the interface, indicating a redistribution of mobile magnetic nuclei which we conclude could only be due to the redistribution of hydrogen at the interface. Additionally, we observe the generation of traps known as E’ centers in EDMR measurements at lower experimental temperatures via SDR measurements at the interface. Our work strongly suggests the involvement of a rate-limiting step in the tunneling process between the silicon dangling bonds generated at the interface and the ones generated throughout the oxide.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

Numerical solutions of jet-induced mixing in a partially full cryogenic tank are presented. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear-free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to solve the nondimensional form of steady state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of above stated parameters on the condensation Nusselt and Stanton numbers which characterize the steady-state interface condensation process are investigated. Detailed analysis to gain a better understanding of the fundamentals of fluid mixing and interface condensation is performed.

Lin, Chin-Shun↗
NASA NTRS1989

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

Numerical solutions of jet-induced mixing in a partially full cryogenic tank are presented. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear-free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to solve the nondimensional form of steady state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of above stated parameters on the condensation Nusselt and Stanton numbers which characterize the steady-state interface condensation process are investigated. Detailed analysis to gain a better understanding of the fundamentals of fluid mixing and interface condensation is performed.

Lin, Chin-Shun↗
DOE OSTI2023

First principles study of the electronic structure of the Ni 2 MnIn / InAs and Ti 2 MnIn / InSb interfaces

We present a first principles study of the electronic and magnetic properties of epitaxial interfaces between the Heusler compounds, Ti 2 MnIn and Ni 2 MnIn, and the III-V semiconductors, InSb and InAs, respectively. We use density functional theory (DFT) with a machine-learned Hubbard U correction determined by Bayesian optimization. Here, we evaluate these interfaces for prospective applications in Majorana-based quantum computing and spintronics. In both interfaces, states from the Heusler penetrate into the gap of the semiconductor, decaying within a few atomic layers. The magnetic interactions at the interface are weak and local in space and energy. Magnetic moments of less than 0.1 µB are induced in the two atomic layers closest to the interface. The induced spin polarization around the Fermi level of the semiconductor decays within a few atomic layers. The decisive factor for the induced spin polarization around the Fermi level of the semiconductor is the spin polarization around the Fermi level in the Heusler, rather than the overall magnetic moment. As a result, the ferrimagnetic narrow-gap semiconductor Ti 2 MnIn induces a more significant spin polarization in the InSb than the ferromagnetic metal Ni 2 MnIn induces in the InAs. This is explained by the position of the transition metal d states in the Heusler with respect to the Fermi level. Based on our results, these interfaces are unlikely to be useful for Majorana devices but could be of interest for spintronics.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Vapor condensation at the free surface of an axisymmetric liquid mixed by a laminar jet

This paper presents numerical solutions of jet-induced mixing in a partially full cryogenic tank. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to slove the nondimensional form of steady-state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of previously stated parameters on the condensation Nusselt and Stanton numbers that characterize the steady-state interface condensation process are investigated. Detailed analysis is performed to gain a better understanding of the fundamentals of fluid mixing and interface condensation.

Lin, Chin-Shun↗
NASA NTRS1980

Measuring radiation effects on MOS capacitors

Electron injection technique serves as powerful probe of trapped hole distribution after irradiation because it was determined that electrons only annihilate trapped holes. Other effects, such as other electron traps and interface state generation, are negligible in injection range used. Trap cross sections and densities indicate at least three trap species; interfacial species, dominant bulk species determined to tail off from silicon interface, and lower density and cross section species that may be distributed throughout bulk of oxide.

Bakowski, M.↗
NASA NTRS1980

Improved characterization of the Si-SiO2 interface

Refined quasi-static and conductance methods, based on effectively thin composite insulating layers, low-carrier-concentration bulk semiconductors, and low-level illumination, have been applied to an improved characterization of the (100) Si-SiO2 interface. Accurate measurement of both the total density of interface states and its major components as a function of energy in the forbidden gap have been made over four decades (10-billion to 100-trillion states/eV sq cm) on a single sample. The normal U-shaped density of states is resolved into separate valence- and conduction-band-derived contributions as well as impurity-derived contributions corresponding to concentrations on the order of 20 ppm at the interface.

Su, P.↗
NASA NTRS2007

A Comparison of Two Skip Entry Guidance Algorithms

The Orion capsule vehicle will have a Lift-to-Drag ratio (L/D) of 0.3-0.35. For an Apollo-like direct entry into the Earth's atmosphere from a lunar return trajectory, this L/D will give the vehicle a maximum range of about 2500 nm and a maximum crossrange of 216 nm. In order to y longer ranges, the vehicle lift must be used to loft the trajectory such that the aerodynamic forces are decreased. A Skip-Trajectory results if the vehicle leaves the sensible atmosphere and a second entry occurs downrange of the atmospheric exit point. The Orion capsule is required to have landing site access (either on land or in water) inside the Continental United States (CONUS) for lunar returns anytime during the lunar month. This requirement means the vehicle must be capable of flying ranges of at least 5500 nm. For the L/D of the vehicle, this is only possible with the use of a guided Skip-Trajectory. A skip entry guidance algorithm is necessary to achieve this requirement. Two skip entry guidance algorithms have been developed: the Numerical Skip Entry Guidance (NSEG) algorithm was developed at NASA/JSC and PredGuid was developed at Draper Laboratory. A comparison of these two algorithms will be presented in this paper. Each algorithm has been implemented in a high-fidelity, 6 degree-of-freedom simulation called the Advanced NASA Technology Architecture for Exploration Studies (ANTARES). NASA and Draper engineers have completed several monte carlo analyses in order to compare the performance of each algorithm in various stress states. Each algorithm has been tested for entry-to-target ranges to include direct entries and skip entries of varying length. Dispersions have been included on the initial entry interface state, vehicle mass properties, vehicle aerodynamics, atmosphere, and Reaction Control System (RCS). Performance criteria include miss distance to the target, RCS fuel usage, maximum g-loads and heat rates for the first and second entry, total heat load, and control system saturation. The comparison of the performance criteria has led to a down select and guidance merger that will take the best ideas from each algorithm to create one skip entry guidance algorithm for the Orion vehicle.

Rea, Jeremy R.↗