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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Optical properties monitor: Experiment definition phase

The stability of materials used in the space environment will continue to be a limiting technology for space missions. The Optical Properties Monitor (OPM) Experiment provides a comprehensive space research program to study the effects of the space environment (both natural and induced) on optical, thermal and space power materials. The OPM Experiment was selected for definition under the NASA/OAST In-Space Technology Experiment Program. The results of the OPM Definition Phase are presented. The OPM experiment will expose selected materials to the space environment and measure the effects with in-space optical measurements. In-space measurements include total hemispherical reflectance total integrated scatter and VUV reflectance/transmittance. The in-space measurements will be augmented with extensive pre- and post-flight sample measurements to determine other optical, mechanical, electrical, chemical or surface effects of space exposure. Environmental monitors will provide the amount and time history of the sample exposure to solar irradiation, atomic oxygen and molecular contamination.

Wilkes, Donald R.↗
NASA NTRS1993

Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

Benjamin, Ilan↗
NASA NTRS2011

Flight Test of Orthogonal Square Wave Inputs for Hybrid-Wing-Body Parameter Estimation

As part of an effort to improve emissions, noise, and performance of next generation aircraft, it is expected that future aircraft will use distributed, multi-objective control effectors in a closed-loop flight control system. Correlation challenges associated with parameter estimation will arise with this expected aircraft configuration. The research presented in this paper focuses on addressing the correlation problem with an appropriate input design technique in order to determine individual control surface effectiveness. This technique was validated through flight-testing an 8.5-percent-scale hybrid-wing-body aircraft demonstrator at the NASA Dryden Flight Research Center (Edwards, California). An input design technique that uses mutually orthogonal square wave inputs for de-correlation of control surfaces is proposed. Flight-test results are compared with prior flight-test results for a different maneuver style.

Taylor, Brian R.↗
DOE OSTI2018

Surface and Electrochemical Characteristics of Novel Chromate-Free Mn-V Oxyanion Sealed Tartaric–Sulfuric Acid Anodized Coating

In the present investigation, a novel chromate-free Mn and V oxyanions sealed tartaric–sulfuric acid anodic oxide coating (TSA) was developed on airframe grade aluminum alloy (AA2024). The results obtained from field emission scanning electron microscopy and energy-dispersive x-ray analysis showed effective surface modification of TSA after Mn-V oxyanions sealing (TSAMnVO). Potentiodynamic polarization results showed no significant difference in corrosion current density value (0.01 µA/cm{sup 2}) after 1 h and 336 h of immersion in 3.5% NaCl solution. EIS result exhibited barrier layer resistance (R{sub b}) value of TSAMnVO > 10{sup 6} kΩ cm{sup 2} even after 336 h of immersion in NaCl solution. The 3D profile and Raman analysis showed no significant difference in the topography and composition, respectively, on the surface of TSAMnVO even after 1000 h of salt spray test. TSAMnVO also showed excellent adhesion with aircraft grade epoxy primer as per the ASTM 3359. Tensile and constant amplitude fatigue test results of TSAMnVO exhibited ultimate tensile strength and number of cycles to failure comparable with chromic acid anodization (CAA) process. Hence, the developed novel TSAMnVO coating system eliminates the usage of chromate ions completely in anodization process since it provides comparable corrosion resistance and mechanical properties with CAA.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Pictorial communication in virtual and real environments

Papers about the communication between human users and machines in real and synthetic environments are presented. Individual topics addressed include: pictorial communication, distortions in memory for visual displays, cartography and map displays, efficiency of graphical perception, volumetric visualization of 3D data, spatial displays to increase pilot situational awareness, teleoperation of land vehicles, computer graphics system for visualizing spacecraft in orbit, visual display aid for orbital maneuvering, multiaxis control in telemanipulation and vehicle guidance, visual enhancements in pick-and-place tasks, target axis effects under transformed visual-motor mappings, adapting to variable prismatic displacement. Also discussed are: spatial vision within egocentric and exocentric frames of reference, sensory conflict in motion sickness, interactions of form and orientation, perception of geometrical structure from congruence, prediction of three-dimensionality across continuous surfaces, effects of viewpoint in the virtual space of pictures, visual slant underestimation, spatial constraints of stereopsis in video displays, stereoscopic stance perception, paradoxical monocular stereopsis and perspective vergence. (No individual items are abstracted in this volume)

Ellis, Stephen R.↗
DOE OSTI2022

2D materials-assisted heterogeneous integration of semiconductor membranes toward functional devices

Heterogeneous integration techniques allow the coupling of highly lattice-mismatched solid-state membranes, including semiconductors, oxides, and two-dimensional materials, to synergistically fuse the functionalities. The formation of heterostructures generally requires two processes: the combination of crystalline growth and a non-destructive lift-off/transfer process enables the formation of high-quality heterostructures. Although direct atomic interaction between the substrate and the target membrane ensures high-quality growth, the strong atomic bonds at the substrate/epitaxial film interface hinder the non-destructive separation of the target membrane from the substrate. Alternatively, a 2D material-coated compound semiconductor substrate can transfer the weakened (but still effective) surface potential field of the surface through the 2D material, allowing both high-quality epitaxial growth and non-destructive lift-off of the grown film. This Perspective reviews 2D/3D heterogeneous integration techniques, along with applications of III–V compound semiconductors and oxides. Here, the advanced heterogeneous integration methods offer an effective method to produce various freestanding membranes for stackable heterostructures with unique functionalities that can be applied to novel electrical, optoelectronic, neuromorphic, and bioelectronic systems.

2D materials↗
NASA NTRS2005

Transonic-Small-Disturbance and Linear Analyses for the Active Aeroelastic Wing Program

Analysis serves many roles in the Active Aeroelastic Wing (AAW) program. It has been employed to ensure safe testing of both a flight vehicle and wind tunnel model, has formulated models for control law design, has provided comparison data for validation of experimental methods and has addressed several analytical research topics. Aeroelastic analyses using mathematical models of both the flight vehicle and the wind tunnel model configurations have been conducted. Static aeroelastic characterizations of the flight vehicle and wind tunnel model have been produced in the transonic regime and at low supersonic Mach numbers. The flight vehicle has been analyzed using linear aerodynamic theory and transonic small disturbance theory. Analyses of the wind-tunnel model were performed using only linear methods. Research efforts conducted through these analyses include defining regions of the test space where transonic effects play an important role and investigating transonic similarity. A comparison of these aeroelastic analyses for the AAW flight vehicle is presented in this paper. Results from a study of transonic similarity are also presented. Data sets from these analyses include pressure distributions, stability and control derivatives, control surface effectiveness, and vehicle deflections.

Wiesman, Carol D.↗
DOE OSTI2020

Size Transformation of the Au 22 (SG) 18 Nanocluster and Its Surface-Sensitive Kinetics

For many applications of well-defined gold nanoclusters, it is desirable to understand their structural evolution behavior under working conditions with molecular precision. Here we report the first systematic investigation of the size transformation products of the Au 22 (SG) 18 nanocluster under representative working conditions and highlight the surface effect on the transformation kinetics. Under thermal and aerobic conditions, the consecutive and pH-dependent transformation from Au 22 to both well-defined clusters and small Au(I)SR species was identified by ESI-MS and UV-vis spectroscopy. By introducing a perturbation onto the Au 22 surface, significant changes in the activation parameters were determined from the kinetic study of the Au 22 transformation. This indicates the sensitivity of the nanocluster transformation pathway to the cluster surface. Finally, the systematic study of cluster transformation and the sensitivity of cluster transformation to the surface revealed herein has significant implications for future attempts to design gold nanoparticles with adaptation to the working environment and the regeneration of active nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Surface molecular pump enables ultrahigh catalyst activity

The performance of electrocatalysts is critical for renewable energy technologies. While the electrocatalytic activity can be modulated through structural and compositional engineering following the Sabatier principle, the insufficiently explored catalyst-electrolyte interface is promising to promote microkinetic processes such as physisorption and desorption. By combining experimental designs and molecular dynamics simulations with explicit solvent in high accuracy, we demonstrated that dimethylformamide can work as an effective surface molecular pump to facilitate the entrapment of oxygen and outflux of water. Dimethylformamide disrupts the interfacial network of hydrogen bonds, leading to enhanced activity of the oxygen reduction reaction by a factor of 2 to 3. This strategy works generally for platinum-alloy catalysts, and we introduce an optimal model PtCuNi catalyst with an unprecedented specific activity of 21.8 ± 2.1 mA/cm 2 at 0.9 V versus the reversible hydrogen electrode, nearly double the previous record, and an ultrahigh mass activity of 10.7 ± 1.1 A/mg Pt .

Science & Technology - Other Topics↗
DOE OSTI2024

Suppressing strain propagation in ultrahigh-Ni cathodes during fast charging via epitaxial entropy-assisted coating

Surface reconstruction and the associated severe strain propagation have long been reported as the major cause of cathode failure during fast charging and long-term cycling. Despite tremendous attempts, no known strategies can simultaneously address the electro-chemomechanical instability without sacrificing energy and power density. Here we report an epitaxial entropy-assisted coating strategy for ultrahigh-Ni LiNi x Co y Mn 1-x-y O 2 (x ≥ 0.9) cathodes via an oriented attachment-driven reaction between Wadsley-Roth phase-based oxides and the layered-oxide cathodes. Further, the high anti-cracking and anti-corrosion tolerances as well as the fast ionic transport of the entropy-assisted surface effectively improved the fast charging/discharging capability, wide temperature tolerance and thermal stability of the ultrahigh-Ni cathodes. Comprehensive analysis from the primary and secondary particle level to the electrode level using multi-scale in situ synchrotron X-ray probes reveals greatly reduced lattice dislocations, anisotropic lattice strain and oxygen release as well as improved bulk/local structural stability, even when charging beyond the threshold state of charge (75%) of layered cathodes. Layered Ni-rich oxide cathodes are susceptible to challenges with surface reconstruction and strain propagation, limiting their cyclability. The authors propose a solution involving oriented attachment-driven reactions, utilizing Wadsley-Roth nanocrystals and layered oxide to induce an epitaxial entropy-assisted coating, effectively addressing these issues.

25 ENERGY STORAGE↗
NASA NTRS2016

Considering Combined or Separated Roughness and Vegetation Effects in Soil Moisture Retrievals

For more than six years, the Soil Moisture and Ocean Salinity (SMOS) mission has provided multi angular and full-polarization brightness temperature (TB) measurements at L-band. Geophysical products such as soil moisture (SM) and vegetation optical depth at nadir (tau(sub nad)) are retrieved by an operational algorithm using TB observations at different angles of incidence and polarizations. However, the quality of the retrievals depends on several surface effects, such as vegetation, soil roughness and texture, etc. In the microwave forward emission model used in the retrievals (L-band Microwave Emission Model, L-MEB),soil roughness is modeled with a semi-empirical equation using four main parameters (Q(sub r), H(sub r), N(sub rp), with p = H or V polarizations). At present, these parameters are calibrated with data provided by airborne studies and in situ measurements made at a local scale that is not necessarily representative of the large SMOS footprints (43 km on average) at global scale. In this study, we evaluate the impact of the calibrated values of N(sub rp) and H(sub r) on the SM and tau(sub nad) retrievals based on SMOS TB measurements (SMOS Level 3 product) over the Soil Climate Analysis Network (SCAN) network located in North America over five years (2011-2015). In this study, Qr was set equal to zero and we assumed that N(sub rH)= N(sub rV). The retrievals were performed by varying N(sub rp) from −1 to 2 by steps of 1 and H(sub r) from 0 to 0.6 by steps of 0.1. At satellite scale, the results show that combining vegetation and roughness effects in a single parameter provides the best results in terms of soil moisture retrievals, as evaluated against the in situ SM data. Even though our retrieval approach was very simplified, as we did not account for pixel heterogeneity, the accuracy we obtained in the SM retrievals was almost systematically better than those of the Level 3 product. Improved results were also obtained in terms of optical depth retrievals. These new results may have key consequences in terms of calibration of roughness effects within the algorithms of the SMOS (ESA) and the SMAP (NASA) space missions.

full-polarization↗
DOE OSTI2016

A theoretical approach to study the melting temperature of metallic nanowires

The physical properties of any material change with the change of its size from bulk range to nano range. A theoretical study to account for the size and shape effect on melting temperature of metallic nanowires has been done. We have studied zinc (Zn), indium (In), lead (Pb) and tin (Sn) nanowires with three different cross sectional shapes like regular triangular, square and regular hexagonal. Variation of melting temperature with the size and shape is graphically represented with the available experimental data. It was found that melting temperature of the nanowires decreases with decrement in the size of nanowire, due to surface effect and at very small size the most probable shape also varies with material.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO{sub 2} core-shell nano-crystals: A (time dependent)density functional theory study

Due to their tunable properties, silicon nano-crystals (NC) are currently being investigated. Quantum confinement can generally be employed for size-dependent band-gap tuning at dimensions smaller than the Bohr radius (∼5 nm for silicon). At the nano-meter scale, however, increased surface-to-volume ratio makes the surface effects dominant. Specifically, in Si-SiO{sub 2} core-shell semiconductor NCs the interfacial transition layer causes peculiar electronic and optical properties, because of the co-existence of intermediate oxidation states of silicon (Si{sup n+}, n = 0–4). Due to the presence of the many factors involved, a comprehensive understanding of the optical properties of these NCs has not yet been achieved. In this work, Si-SiO{sub 2} NCs with a diameter of 1.1 nm and covered by amorphous oxide shells with thicknesses between 2.5 and 4.75 Å are comprehensively studied, employing density functional theory calculations. It is shown that with increased oxide shell thickness, the low-energy part of the optical transition spectrum of the NC is red shifted and attenuated. Moreover, the absorption coefficient is increased in the high-energy part of the spectrum which corresponds to SiO{sub 2} transitions. Structural examinations indicate a larger compressive stress on the central silicon cluster with a thicker oxide shell. Examination of the local density of states reveals the migration of frontier molecular orbitals from the oxide shell into the silicon core with the increase of silica shell thickness. The optical and electrical properties are explained through the analysis of the density of states and the spatial distribution of silicon sub-oxide species.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

High-purity silicon crystal growth

Crystal growth parameter effects on minority carrier lifetime and solar cell efficiencies were investigated using high purity techniques such as float zoning. Study objectives include the following: (1) optimize dopants and minority carrier lifetime in FZ material for high efficiency silicon solar cell applications; (2) improve the understanding of lifetime degradation mechanisms (point defects, impurities, thermal history, surface effects, etc.), and (3) crystallographic defect characterization of float zone and ribbon crystals via X-ray topography.

Ciszek, T.↗
DOE OSTI2016

Alternative modeling methods for plasma-based Rf ion sources

Rf-driven ion sources for accelerators and many industrial applications benefit from detailed numerical modeling and simulation of plasma characteristics. For instance, modeling of the Spallation Neutron Source (SNS) internal antenna H{sup −} source has indicated that a large plasma velocity is induced near bends in the antenna where structural failures are often observed. This could lead to improved designs and ion source performance based on simulation and modeling. However, there are significant separations of time and spatial scales inherent to Rf-driven plasma ion sources, which makes it difficult to model ion sources with explicit, kinetic Particle-In-Cell (PIC) simulation codes. In particular, if both electron and ion motions are to be explicitly modeled, then the simulation time step must be very small, and total simulation times must be large enough to capture the evolution of the plasma ions, as well as extending over many Rf periods. Additional physics processes such as plasma chemistry and surface effects such as secondary electron emission increase the computational requirements in such a way that even fully parallel explicit PIC models cannot be used. One alternative method is to develop fluid-based codes coupled with electromagnetics in order to model ion sources. Time-domain fluid models can simulate plasma evolution, plasma chemistry, and surface physics models with reasonable computational resources by not explicitly resolving electron motions, which thereby leads to an increase in the time step. This is achieved by solving fluid motions coupled with electromagnetics using reduced-physics models, such as single-temperature magnetohydrodynamics (MHD), extended, gas dynamic, and Hall MHD, and two-fluid MHD models. We show recent results on modeling the internal antenna H{sup −} ion source for the SNS at Oak Ridge National Laboratory using the fluid plasma modeling code USim. We compare demonstrate plasma temperature equilibration in two-temperature MHD models for the SNS source and present simulation results demonstrating plasma evolution over many Rf periods for different plasma temperatures. We perform the calculations in parallel, on unstructured meshes, using finite-volume solvers in order to obtain results in reasonable time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Reactivity of Carbonate Solvent Electrolytes on Lithium Silicon Anodes

Silicon (Si) is promising for lithium-ion battery (LIB) anodes due to their high theoretical capacity and low electrochemical potential. However, significant challenges remain, including severe volumetric expansion during cycling and the electrochemical instability of electrolytes, which leads to the formation of a nonuniform solid electrolyte interphase (SEI). To investigate SEI formation mechanisms, computational molecular dynamics simulations offer valuable insights. In this work, we examine the trajectories and charge transfer behavior of lithium hexafluorophosphate (LiPF 6 ) salt with various solvent compositions using density functional theory (DFT) and ab initio molecular dynamics (AIMD). Among the tested electrolyte systems, LiPF 6 with vinylene carbonate (VC) added to ethyl methyl carbonate (EMC) exhibits the lowest reactivity with the Si anode. In contrast, the effects of fluoroethylene carbonate (FEC) and VC depend on whether the primary solvent is EMC alone or a mixture of ethylene carbonate (EC) and EMC. Moreover, we show that electrolyte reactivity varies with the degree of lithiation of the Si anode (LiSi vs Li 15 Si 4 ) and under different charge states. To decouple electrolyte reactivity from surface effects, we analyze the dissociation and formation energies of individual species from solvated configurations. Overall, these first-principles-based findings provide a strategic foundation for electrolyte design to improve cycling stability and extend calendar life in LIBs using Si anodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗