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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Precipitation behavior of Widmanstätten O phase associated with interface in aged Ti2AlNb-based alloys

Highlights: • Ball milling tunes the morphology of primary O phase in Ti{sub 2}AlNb alloys. • The interface of Widmanstatten B2 and O affects the hardness of the alloys. • The entire precipitation process of Widmanstatten O phase is reported. - Abstract: Ti{sub 2}AlNb-based alloys, spark plasma sintered from ball-milled octahedral Ti-22Al-25Nb powder, are aged for 0–3 h in this study. Ball milling tunes the morphology of primary orthorhombic (O) phase to be columnar, and improves the mechanical properties of the alloys. The evolution of the Widmanstätten O phase, which brought main precipitation strengthening effect, is then investigated during the ageing process. The hardness of the alloys is improved by an increasing content of O phase and the reduced width of the Widmanstätten O phase; in addition, the length of Widmanstätten O phase also brings positive effect on the hardness, which indicates that the hardness is strongly coupled with the interface of the Widmanstätten O precipitates and B2 matrix. By means of transmission electron microscopy observation, the precipitation of O initials with an amorphous state, followed by a coherent interface between (110){sub B2} and (002){sub O}, which is destroyed to be semi-coherent and incoherent during the next ageing stage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Concentration Dependent Interfacial Chemistry of the NaOH(aq):Gibbsite Interface

Caustic conditions are often employed for dissolution of a wide variety of minerals, where ion sorption, surface diffusion, and interfacial organization impact surface reactivity. In the case of gibbsite, gamma-Al(OH)3, the chemistry at the NaOH(aq) interface is deeply intertwined with industrial processing of aluminum, including metal production and the disposition of Al-containing wastes. To date, little is known about the structure, speciation, and dynamic behavior of gibbsite interfaces (and that of many other minerals) with NaOH(aq)—particularly as a function of ionic strength. Yet concentration-dependent interfacial organization and dynamics are a critical starting point to develop a fundamental understanding of the factors that influence dissolution. This work reports equilibrium molecular dynamics simulations of the gamma-Al(OH)3:NaOH(aq) interface, revealing the sorption behavior and speciation of ions from 0.5–10 M [NaOH]. As inner-sphere complexes, Na+ primarily coordinates to the side of the gibbsite hexagonal cavities, while OH accepts hydrogen-bonding from the surface-OH groups. The mobility of inner-sphere Na+ and OH ions is significantly reduced due to a strong surface affinity in comparison to previous reports of NaCl, CaCl2, or BaCl2 electrolytes. At high [NaOH], contact ion pairing that is observed in the bulk solution is partially disrupted upon sorption to the gibbsite surface by the individual ion–surface interactions. The molecular-scale changes to surface speciation and competition between ion–surface vs. ion–ion interactions influence surface characterization of gibbsite and potential dissolution processes, providing a valuable baseline for starting conditions needed within future reactive molecular simulations.

alkaline solutions, IDREAM, gibbsite, molecular dy↗
DOE OSTI2014

Interface boundary conditions for dynamic magnetization and spin wave dynamics in a ferromagnetic layer with the interface Dzyaloshinskii-Moriya interaction

In this work, we derive the interface exchange boundary conditions for the classical linear dynamics of magnetization in ferromagnetic layers with the interface Dzyaloshinskii-Moriya interaction (IDMI). We show that IDMI leads to pinning of dynamic magnetization at the interface. An unusual peculiarity of the IDMI-based pinning is that its scales as the spin-wave wave number. We incorporate these boundary conditions into an existing numerical model for the dynamics of the Damon-Eshbach spin wave in ferromagnetic films. IDMI affects the dispersion and the frequency non-reciprocity of the travelling Damon-Eshbach spin wave. For a broad range of film thicknesses L and wave numbers, the results of the numerical simulations of the spin wave dispersion are in a good agreement with a simple analytical expression, which shows that the contribution of IDMI to the dispersion scales as 1/L, similarly to the effect of other types of interfacial anisotropy. Suggestions to experimentalists how to detect the presence of IDMI in a spin wave experiment are given.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Tuning the conductivity threshold and carrier density of two-dimensional electron gas at oxide interfaces through interface engineering

The two-dimensional electron gas (2DEG) formed at the perovskite oxides heterostructures is of great interest because of its potential applications in oxides electronics and nanoscale multifunctional devices. A canonical example is the 2DEG at the interface between a polar oxide LaAlO{sub 3} (LAO) and non-polar SrTiO{sub 3} (STO). Here, the LAO polar oxide can be regarded as the modulating or doping layer and is expected to define the electronic properties of 2DEG at the LAO/STO interface. However, to practically implement the 2DEG in electronics and device design, desired properties such as tunable 2D carrier density are necessary. Here, we report the tuning of conductivity threshold, carrier density and electronic properties of 2DEG in LAO/STO heterostructures by insertion of a La{sub 0.5}Sr{sub 0.5}TiO{sub 3} (LSTO) layer of varying thicknesses, and thus modulating the amount of polarization of the oxide over layers. Our experimental result shows an enhancement of carrier density up to a value of about five times higher than that observed at the LAO/STO interface. A complete thickness dependent metal-insulator phase diagram is obtained by varying the thickness of LAO and LSTO providing an estimate for the critical thickness needed for the metallic phase. The observations are discussed in terms of electronic reconstruction induced by polar oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The use of haptic interfaces and web services in crystallography: an application for a `screen to beam' interface

Haptic interfaces have become common in consumer electronics. They enable easy interaction and information entry without the use of a mouse or keyboard. Our work illustrates the application of a haptic interface to crystallization screening in order to provide a natural means for visualizing and selecting results. By linking this to a cloud-based database and web-based application program interface, the same application shifts the approach from `point and click' to `touch and share', where results can be selected, annotated and discussed collaboratively. Furthermore, in the crystallographic application, given a suitable crystallization plate, beamline and robotic end effector, the resulting information can be used to close the loop between screening and X-ray analysis, allowing a direct and efficient `screen to beam' approach. The application is not limited to the area of crystallization screening; `touch and share' can be used by any information-rich scientific analysis and geographically distributed collaboration.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2015

X-ray-driven reaction front dynamics at calcite-water interfaces

The interface between minerals and aqueous solutions hosts globally important biogeochemical processes such as the growth and dissolution of carbonate minerals. Understanding such processes requires spatially and temporally resolved observations and experimental controls that precisely manipulate the interfacial thermodynamic state. Using the intense radiation fields of a focused synchrotron x-ray beam, we drove dissolution at the calcite/water interface and simultaneously probed the dynamics of the propagating reaction fronts using surface x-ray microscopy. Evolving surface structures were controlled by the time-dependent solution composition, as characterized by a kinetic reaction model. At extreme disequilibria, we observed the onset of reaction front instabilities with velocities of > 30 nanometers per second. These instabilities serve as a signature of transport-limited dissolution of calcite under extreme disequilibrium.

calcite-water interface↗
DOE OSTI2021

A generic method for interfacing IEDs using low voltage interfaces to real-time simulators with hardware in the loop

This study presents an interface method (IM) to interconnect real-time simulators (RTSs) without amplifiers for different intelligent electronic devices (IEDs), such as protective relays, smart meters, and other devices. It is a significant topic for the power systems protection community because there are many protection devices with different requirements. These protection devices have pinouts that measure bus voltages/currents and breaker pole states and generate trip/close pulse signals. Most of the emulation test beds with RTSs and HIL need amplifiers to connect IEDs from different product manufacturers because the low-voltage interface levels are not available in some instruction manuals. Additionally, commercial amplifiers have cutoff frequency limitations and have an excessive cost when several IEDs are wired onto test beds. Then, the validation of protection and control systems with RTSs and IEDs in the loop from different vendors without amplifiers results in an unfeasible alternative. In this paper, the IM was based on using an interface box, power source, and RTS to identify IED inputs/outputs. Here, the sequence to recognize IED pinouts and calculate the current/voltage scaling factors is described. The IM was validated satisfactorily with RTS and a protection device (with unknown pinouts) in the loop.

42 ENGINEERING↗
DOE OSTI2015

A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τ crit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τ crit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results show that the value of τ crit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τ crit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τ crit values.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores

In geologic settings relevant to a number of extraction and potential sequestration processes, nanopores bounded by clay mineral surfaces play a critical role in the transport of aqueous species. Solution structure and dynamics at clay–water interfaces are quite different from their bulk values, and the spatial extent of this disruption remains a topic of current interest. We have used molecular dynamics simulations to investigate the structure and diffusion of aqueous solutions in clay nanopores approximately 6 nm thick, comparing the effect of clay composition with model Na-hectorite and Na-montmorillonite surfaces. In addition to structural properties at the interface, water and ion diffusion coefficients were calculated within each aqueous layer at the interface, as well as in the central bulk-like region of the nanopore. The results show similar solution structure and diffusion properties at each surface, with subtle differences in sodium adsorption complexes and water structure in the first adsorbed layer due to different arrangements of layer hydroxyl groups in the two clay models. Interestingly, the extent of surface disruption on bulk-like solution structure and diffusion extends to only a few water layers. Additionally, a comparison of sodium ion residence times confirms similar behavior of inner-sphere and outer-sphere surface complexes at each clay surface, but ~1% of sodium ions adsorb in ditrigonal cavities on the hectorite surface. Thus, the presence of these anhydrous ions is consistent with highly immobile anhydrous ions seen in previous nuclear magnetic resonance spectroscopic measurements of hectorite pastes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Elastic NaxMoS2-carbon-BASE triple interface direct robust solid-solid interface for all-solid-state Na-S batteries

The promises of all-solid-state (ASS) sodium batteries for the next generation energy storage are widely recognized but their developments have been severely constrained by the difficulties to design favorable solid-solid interfaces for unhindered Na-ion transport. Using the most promising ß?-Al2O3 solid state electrolyte (BASE) as a platform, we demonstrate here a triple nanojunction strategy that provides simultaneous strong Na adhesion and continuous Na-ions diffusion at solid-solid interface. Such triple junctions (NaxMoS2-carbon-BASE) were constructed by adhering ternary composite Na anodes containing dispersed 3 wt% MoS2 and 3 wt% carbon on BASE, and provide nearly complete adhesion of Na on BASE with a much smaller contact angle (~ 45o vs. 120o of pristine Na). The composite Na anodes exhibited ~ 3 times improved elastic property and the synergy of NaxMoS2 and carbon provides the required ionic and electronic diffusion channels at solid-solid interface, which significantly improve Na utilization and resist premature failure due to loss of solid-solid contact as Na shrink during high capacity stripping. As a result, Na metal at the triple junction exhibited more than five time reduced charge transfer resistance and at least 200 hours stable battery cycling at practical current densities. The novel anode architecture also enabled high capacity cycling of prototype ASS sodium sulfur batteries when coupled with advanced sulfur cathodes containing intrinsic Na-ions diffusion channels and redox catalytic mediators, leading to stable cycling with specific capacity of 1110 mAh g-1.

ß”-Al2O3 solid electrolyte, solid state batteries,↗
DOE OSTI2019

Creating stable interfaces between reactive materials: titanium nitride protects photoabsorber–catalyst interface in water-splitting photocathodes

The development of a solar-driven water splitting device that replaces costly precious metals, while achieving stable high performance, is a major challenge. Transition metal phosphides are active and low-cost catalysts for the hydrogen evolution reaction (HER), although, none thus far have exhibited stable performance when interfaced with semiconductors. In this work, we report on a monolithic junction consisting of cubic-NiP 2 :TiN:Si, fabricated using both commercial and custom Si photovoltaics. Stable performance is achieved using an ultrathin film of crystalline TiN that effectively hinders atomic diffusion between interfaces during fabrication. Crystalline cubic-NiP 2 deposited on TiN/n + p-Si retains 97% of the bare Si photovoltage, comparable saturation current density to bare Si, and has a turnover frequency of 1.04 H 2 per site per s at -100 mV applied potential. In acid, it requires only -150 mV additional overpotential compared to the benchmark, Pt/TiN/n + p-Si, to reach a HER photocurrent density of -10 mA cm -2 . This photocathode maintains a stable H 2 photocurrent (±10%) for at least 125 hours, the duration of testing. When the same layers are fabricated on a commercial Si solar cell, this photocathode produced double the photocurrent density (36.3 mA cm -2 , under simulated 1.5 AM G illumination). Physical characterization gives detailed information on the properties responsible for the observed activity and durability of these interfaces. In general, the thin-film methodology presented here is widely applicable, demonstrates superior activity, and achieves long-term stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗