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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
DOE OSTI2017

All-solid-state disordered LiTiS 2 pseudocapacitor

A lithium charge storage mechanism is discovered at the interface of nano-crystallites of LiTiS 2 in the solid state. The surface titanium atoms can be reduced reversibly at higher voltages. Electrochemically, this appears as a pseudocapacitive effect boosting capacity greater than theoretical at high rate with no liquid electrolyte.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Novel Image Processing Interface to Relate DSB Spatial Distribution from Immunofluorescence Foci Experiments to the State-of-the-Art Models of DNA Breakage

A recently developed software (NASARadiationTrackImage) allows a quick and automatic segmentation of foci that indicate spatial localization of specific proteins that are visualized by immunofluorescence. Of interest are the spatial and temporal distribution of foci such as gammaH2AX, a signal of the phosphorylation of a variant of the histone H2A that has been shown to correspond to DSBs, or proteins involved in DSB processing, such as ATM, Rad51, and p53, following exposures of human cells to high charge and energy (HZE) ion irradiation. Experimental data are recorded as sets of two-dimensional images in color with cells and foci of gammaH2AX, ATM, Rad51 or others shown. Different cells, levels of radiation and timing after radiation were recorded. The software allows us to calculate the number of foci per cell, overall intensity of light in foci and their spatial organization. A simple statistical model allows for testing of foci overlap (eclipse). A more complex statistical model previously known as DNAbreak simulates track structure and random chromosome geometry. It has one adjustable parameter corresponding to an average intensity of DSB creation in cubic micrometers of DNA volume per particle track or unit dose. Its limitation is the low-resolution limit both in physical space and DSB's along DNA. It works adequately on the scale of a cell and provides further insights on how the geometry of tracks and DNA affects genomic damage of the cell and subsequent repair. Future developments of the model for the description of the time evolution of DNA damage response proteins, and more robust track structure models will be discussed.

Ponomarev, A. L.↗
DOE OSTI2024

Emergent Phenomena at Mott Interfaces – a Time- and Depth-Resolved Approach (Final Technical Report)

This is the final technical report for Award DE-SC0019297, Emergent Phenomena at Mott Interfaces – a Time- and Depth-Resolved Approach. This research program aimed to address the scientific questions related to the emergence and control of non-equilibrium electronic phases of matter in strongly correlated Mott oxides and their interfaces. We were focusing specifically on exploiting the interfaces in heterostructures and superlattices, containing Mott oxides CaMnO 3 and LaNiO 3 because in such systems, precise control of electronic and magnetic structure in the ground state can be achieved through dimensionality, heterostructuring, interface termination, and lattice strain. We utilized advanced x-ray spectroscopic and scattering techniques, to investigate these phenomena. Additionally, we used intense THz electric-field pulses generated by a femtosecond laser to directly modify the electronic structure and magnetic states of the ultrathin LaNiO 3 and CaMnO 3 layers in such heterostructures, with the objectives of disentangling, understanding, and harnessing control over the intricate competing interactions responsible for two-dimensional magnetism and metal-insulator transition at the interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Role of Metal-Semiconductor Interface in Hybrid Perovskite Devices for High-Performance Radiation Photon Counting

Halide perovskites are promising optoelectronic semiconductors. For applications in solid-state detectors that operate in low photon flux counting mode, blocking interfaces are essential to minimize the dark current noise. Here, we investigate the interface between methylammonium lead tri-iodide (MAPbI 3 ) single crystals and commonly used high and low work function metals to achieve photon counting capabilities in a solid-state detector. Using scanning photocurrent microscopy, we observe a large Schottky barrier at the MAPbI 3 /Pb interface, which efficiently blocks dark current. Moreover, the shape of the photocurrent profile indicates that the MAPbI 3 single-crystal surface has a deep fermi level close to that of Au. Rationalized by first-principle calculations, we attribute this observation to the defects due to excess iodine on the surface underpinning emergence of deep band-edge states. The photocurrent decay profile yields a charge carrier diffusion length of 10–25 μm. Using this knowledge, we demonstrate a single-crystal MAPbI 3 detector that can count single γ-ray photons by producing sharp electrical pulses with a fast rise time of <2 μs. Overall, our study indicates that the interface plays a crucial role in solid-state detectors operating in photon counting mode.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Surface Reconstruction in Hydrated Amphiphilic Block Copolymer Thin Films Probed by Fluid Cell Atomic Force Microscopy

In many thin film materials, nuanced interplays of interfacial energies control the surface morphology and rearrangement. This work evaluates polymer−solvent interactions and solvent-driven surface reconstructions via ex situ and in situ fluid cell Atomic Force Microscopy (fc-AFM) analysis of amphiphilic block copolymer (BCP) thin films upon exposure to deionized (DI) water. We examine the differences in surface morphology, whole-film swelling, and force response in thin films of polystyrene-block-poly(ethylene oxide) (PS-b-PEO) and polystyrene- block-poly[(allyl glycidyl ether)-co-(ethylene oxide)] (PS-b- P[AGE-co-EO]) processed into standing-up cylinder morphologies perpendicular to a silicon substrate (⊥C). Using Amplitude Modulation AFM (AM-AFM) and Amplitude-Phase Distance (APD) force spectroscopy, this work probes the mechanoresponsive nature of the dynamic surface layers of these films, unveiling surface layer stratification and surface chain rearrangement via minimal tip−sample stimulation. To help rationalize the observed reconfigurations, the energetic driving forces were estimated using the harmonic mean approximations of interfacial energies. Given the nonionizable nature of the minority P(AGE-co-EO) block and the energetic driving forces for chain mobility, this work shows how the elimination of unfavorable PS−water interfaces drives chain rearrangement and coverage of the PS surface by chains of the hydrophilic block. This work highlights considerations for increasing the heterogeneity and complexity of BCP thin films via random blocks and how those changes to local interfacial energies may drive larger scale film morphology reconstructions, with broader implications for tuning interface hydrophilicity.

Copolymers↗
NASA NTRS1988

Analysis of notched metal matrix composites under tension loading

Presented are techniques based on 3-D finite-element analysis for the examination of continuous fiber reinforced metal matrix composites. Examples are shown for specific metal matrix composites such as boron/aluminum and silicon-carbide/aluminum. Specimen stress-strain behavior and stress at first fiber failure were predicted for boron/aluminum laminates containing circular holes and crack-like slits. The predictions compared very well for (+ or - 45) sub 2s laminates. Mesh configuration was shown to have an effect on the calculation of stresses local to the notch. The presence of thin interface layers of matrix material had a significant influence on the slit-tip stress state, causing sharper stress gradients near the notch. Interface layers reduced the slit-tip fibers stresses in a (+ or - 45) sub s silicon-carbide/aluminum laminate but increased them in a (0/90) sub s laminate.

Bigelow, C. A.↗
DOE OSTI2020

Shear strength and permeability of the cement-casing interface

Here, the shear strength and hydraulic permeability of the interface between well cement and casing was investigated using a triaxial direct shear apparatus. For the first time, these experiments provide measurements under controlled stress conditions with fluid flow measurements along the interface. The low cohesion (1.1 ± 1.1 MPa) and the high friction angle (43.4 ± 2.0°) indicates that the shear strength of the interface is provided by friction. This implies that the state of stress of the cement is critical to well integrity. The hydraulic aperture of the undamaged cement-steel samples was 6.8 ± 1.0 microns. Shear damage to the interface caused a decrease (-20 %) in hydraulic aperture for samples aged up to 1 month, and an increase (+300 %) for samples cured for two years. We performed numerical simulations to estimate the leakage potential from a carbon storage operation. This model predicts negligible leakage amounts (47 tonnes) in a shear-damaged well for the modeled injection of ~1.26 million tonnes of CO 2 . Thus, our measurements indicate that the cement-casing interface is not a significant leakage pathway in its intact or damaged state, and that shear-driven failure scenarios for this interface are not a significant risk to CO 2 storage security.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Mars Science Laboratory Interplanetary Navigation Analysis

The Mars Science Laboratory (MSL) is a NASA rover mission that will be launched in late 2011 and will land on Mars in August of 2012. This paper describes the analyses performed to validate the navigation system for launch, interplanetary cruise, and approach. MSL will use guidance during its descent into Mars in order to minimize landing dispersions, and therefore will be able to use smaller landing zones that are closer to terrain of high scientific interest. This will require a more accurate delivery of the spacecraft to the atmospheric entry interface, and a late update of the state of the spacecraft at entry. During cruise and approach the spacecraft may perform up to six trajectory correction maneuvers (TCMs), to target to the desired landing site with the required flight path angle at entry. Approach orbit determination covariance analyses have been performed to evaluate the accuracy that can be achieved in delivering the spacecraft to the entry interface point, and to determine how accurately the state of the spacecraft can be predicted to initialize the guidance algorithm. In addition, a sensitivity analysis has been performed to evaluate which factors most contribute to the improvement or degradation of the navigation performance, for both entry flight path angle delivery and entry state knowledge.

orbit determination↗
NASA NTRS2011

Mars Science Laboratory interplanetary navigaton analysis

The Mars Science Laboratory (MSL) is a NASA rover mission that will be launched in late 2011 and will land on Mars in August of 2012. This paper describes the analyses performed to validate the navigation system for launch, interplanetary cruise, and approach. MSL will use guidance during its descent into Mars in order to minimize landing dispersions, and therefore will be able to use smaller landing zones that are closer to terrain of high scientific interest. This will require a more accurate delivery of the spacecraft to the atmospheric entry interface, and a late update of the state of the spacecraft at entry. During cruise and approach the spacecraft may perform up to six trajectory correction maneuvers (TCMs), to target to the desired landing site with the required flight path angle at entry. Approach orbit determination covariance analyses have been performed to evaluate the accuracy that can be achieved in delivering the spacecraft to the entry interface point, and to determine how accurately the state of the spacecraft can be predicted to initialize the guidance algorithm. In addition, a sensitivity analysis has been performed to evaluate which factors most contribute to the improvement or degradation of the navigation performance, for both entry flight path angle delivery and entry state knowledge.

Wong, Mau C.↗
NASA NTRS1978

Stress intensity factors for bonded orthotropic strips with cracks

The elastostatic problem for a nonhomogeneous plane which consists of two sets of periodically arranged dissimilar orthotropic strips is considered. It is assumed that the plane contains a series of collinear cracks perpendicular to the interfaces and is loaded in tension away from and perpendicular to the cracks. Cracks fully imbedded into the homogenous strips were analyzed as well as the singular behavior of the stresses for two special crack geometries. The analysis of cracks crossing interfaces indicates that, for certain orthotropic material combinations, the stress state at the point of intersection of a crack and an interface may be bounded. A number of numerical examples are worked out in order to separate the primary material parameters influencing the stress intensity factors and the powers of stress singularity, and to determine the trends regarding the influence of the secondary parameters.

Delale, F.↗
DOE OSTI2019

In Situ Transmission Electron Microscopy Study of Molybdenum Oxide Contacts for Silicon Solar Cells

Here, a molybdenum oxide (MoO x ) and aluminum (Al) contact structure for crystalline silicon (c-Si) solar cells is investigated using a combination of transmission line measurements (TLM) and in-situ transmission electron microscopy (TEM). Cross-sectional high-resolution TEM (HRTEM) micrographs reveal a ≈2 nm silicon oxide (SiO x ) interlayer at c-Si/MoO x interface in the as-deposited state, indicating that formation of SiO x occurs during deposition of MoO x . Moreover, oxygen diffusion takes place from MoO x toward Al resulting in the formation of a ≈2–3 nm aluminum oxide (AlO x ) interlayer at the MoO x /Al interface. Overall, it is observed that MoO x /Al contact is relatively stable upon annealing up to 200 °C and still retains ohmic transport with sufficiently low contact resistivity.

14 SOLAR ENERGY↗
DOE OSTI2021

Linking void and interphase evolution to electrochemistry in solid-state batteries using operando X-ray tomography

Despite progress in solid-state battery engineering, our understanding of the chemo-mechanical phenomena that govern electrochemical behavior and stability at solid-solid interfaces remains limited compared to solid-liquid interfaces. Here, we use operando synchrotron X-ray computed microtomography to investigate the evolution of lithium/solid-state electrolyte interfaces during battery cycling, revealing how the complex interplay among void formation, interphase growth, and volumetric changes determines cell behavior. Void formation during lithium stripping is directly visualized in symmetric cells, and the loss of contact that drives current constriction at the interface between lithium and the solid-state electrolyte (Li10SnP2S12) is quantified and found to be the primary cause of cell failure. The interphase is found to be redox-active upon charge, and global volume changes occur due to partial molar volume mismatches at either electrode. Finally, these results provide new insight into how chemo-mechanical phenomena can impact cell performance, which is necessary to understand for the development of solid-state batteries.

42 ENGINEERING↗
NASA NTRS2019

Experimental and Numerical Analysis of Skin-Stiffener Separation Using a Seven-Point Bend Configuration

Skin-stiffener separation in stiffened composite panels consists of a complex interaction between multiple scales of progressive damage and failure mechanisms. This work used a superposed cohesive element method of modeling resistance curve effects that represents the structural interface of a unidirectional tape skin and a fabric stiffener. Finite element models using cohesive elements with input properties obtained from tape-to-fabric interface characterization tests were compared to experimental results of a stable skin-stiffener separation characterization test using a seven-point bend fixture. This fixture deformed the stiffened panel specimens into a buckled configuration which induced mixed-mode interlaminar stress states at the skin-stiffener interface. The advantage of this fixture was the potential for more stable damage initiation and delamination growth compared to a stringer-stiffened panel under axial compression. Use of the superposed cohesive elements showed promise, but the characterization of interface material properties as input to the cohesive elements remains a crucial component to be investigated to ensure accurate prediction of skin-stiffener separation.

Kosztowny, Cyrus J. R.↗
DOE OSTI2019

Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy Studies of Hole-Selective Molybdenum Oxide Contacts in Silicon Solar Cells

In this study, substochiometric hole-selective molybdenum oxide (MoO x ) contacts in crystalline silicon (c-Si) solar cells were investigated by a combination of transmission electron microscopy (TEM) and spatially resolved electron energy-loss spectroscopy (SR-EELS). It was observed that a ≈ 4 nm SiO x interlayer grows at the MoO x /c-Si interface during the evaporation of MoO x over a c-Si substrate. SR-EELS analyses revealed the presence of a 1.5 nm diffused MoO x /indium tin oxide (ITO) interface in both as-deposited and annealed samples. Moreover, the presence of a 1 nm thin layer with a lower oxidation state of Mo was detected at the SiO x /MoO x interface in an as-deposited state, which disappears upon annealing. Altogether, it was evident that no hole-blocking interlayer is formed at the MoO x /ITO interface during annealing and homogenization of the MoO x layer takes place during the annealing process. Furthermore, device simulations revealed that efficient hole collection is dependent on MoO x work function and that reduction in the work function of MoO x results in loss of band bending and negatively impacts hole selectivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

The pilot interface with cockpit automation and advanced avionics systems

A flight test program was conducted with a sophisticated, integrated avionics system to study pilot workload and the pilot interface with high levels of avionics capability. The study indicates that advanced systems can provide improved information to the pilot and additional functional capability. The study also indicates that additional research is needed to develop the knowledge base required to design pilot interfaces with such systems. The combination of the pilot interface and the high level of system capability used in this study led to pilot blunders associated with navigation data management, autopilot management, and maintaining awareness of system status. A functional relationship is suggested between level of avionics system sophistication and the required state-of-the-art in pilot/avionics interface design. Suggested guidelines for the design of the pilot/avionics interface for advanced avionics systems are given.

Hinton, D. A.↗
DOE OSTI2026

Cavity-altered superconductivity

Is it feasible to alter the ground-state properties of a material by engineering its electromagnetic environment? Inspired by theoretical predictions, experimental realizations of such cavity-controlled properties without optical excitation are beginning to emerge. Here we devised and implemented a new platform to realize cavity-altered materials. Single crystals of hyperbolic van der Waals (vdW) compounds provide a resonant electromagnetic environment with enhanced density of photonic states and prominent mode confinement. We interfaced hexagonal boron nitride (hBN) with the molecular superconductor κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Br (κ-ET). The frequencies of infrared hyperbolic modes (HMs) of hBN match the infrared-active carbon–carbon (C=C) stretching molecular resonance of κ-ET implicated in superconductivity. Nano-optical data supported by first-principles molecular Langevin dynamics simulations confirm the presence of resonant coupling between the hBN hyperbolic cavity modes and the C=C stretching mode in κ-ET. Meissner-effect measurements using magnetic force microscopy (MFM) demonstrate a strong suppression of superfluid density near the hBN/κ-ET interface. Non-resonant control heterostructures, including RuCl 3 /κ-ET and hBN/Bi 2 Sr 2 CaCu 2 O 8+x (BSCCO), do not show the pronounced superfluid suppression. These observations suggest that hBN/κ-ET realizes a cavity-altered superconducting ground state. Our work highlights the potential of dark cavities devoid of external photons for engineering electronic ground-state properties of complex quantum materials.

36 MATERIALS SCIENCE↗