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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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Vapor phase conversion of 3-hydroxybutyric and crotonic acid to propylene in a continuous-flow reactor over silica–alumina and niobium catalysts demonstrates a new strategy for producing renewable fuels and chemicals from wastewater carbon.
The present study is devoted to a two-phase, gas–solid flow in an annular pipe (hollow cylinder) at an elevated pressure of 15 bars and moderate Reynolds number of circa 6000. The influence of the particle loading, the interaction between the phases, and turbulence dispersion on the flow dynamics is systematically studied by means of computational fluid dynamics simulations, employing the Ansys FLUENT commercial package. The cases with a particle volumetric fraction of 1.2% are referred to as “high particle loading,” and those with 0.13% are denoted as “low particle loading.” The following cases are investigated: (1) pure gas flow; (2) low particle loading two-phase flow with one-way coupling and with turbulence dispersion; (3) low particle loading two-phase flow with two-way coupling but without turbulence dispersion; (4) low particle loading two-phase flow with two-way coupling and with turbulence dispersion; (5) high particle loading two-phase flow with one-way coupling and with turbulence dispersion; (6) high particle loading two-phase flow with two-way coupling but without turbulence dispersion; and (7) high particle loading two-phase flow with two-way coupling and with turbulence dispersion. Additionally, the boundary layer is found to grow without fluctuations of the turbulent kinetic energy (TKE) for cases 1, 2, and 5. For case 4, the TKE fluctuations have been identified, although they appear to be less substantial than those in cases 6 and 7. The authors attribute the semi-chaotic nature of the TKE fluctuations to the particle loading and two-way coupling. In addition, the onset and development of the flow instability have been observed at a random axial distance in cases 4, 6, and 7. Such instability is also attributed to the two-way coupling with turbulence dispersion in the flow. It is concluded that the particle loading, one-way, or two-way coupling between the phases, and the turbulence dispersion models significantly influence the development of the flow dynamics with the same inlet and boundary conditions. Consequently, it is not a trivial question, which result a user should trust. The present computational results inspire to perform verification as well as experimental validation of the simulations, so the simulation results can subsequently be used with confidence for design analysis.
A solid state phase transformation of Ti-6Al-4V was studied using high speed in situ x-ray diffraction measurements made during rapid cooling of a cold metal transfer arc weld bead deposited onto a water cooled substrate. Analysis of body centered cubic (BCC) and hexagonal close packed (HCP) lattices revealed an abrupt, nonlinear shift in the lattice parameters of both phases just after the HCP phase had nucleated. Postmortem transmission electron microscopy confirmed that V diffusion was mostly suppressed during cooling. Together, these results indicate that at this cooling rate of approximately 10 4 K/s, which is representative of cooling rates of many additive manufacturing and welding processes, kinematic coherency of the BCC–HCP interfaces gives rise to the anomalous lattice expansion and contraction behaviors of both phases during the initial nucleation and growth stages of (mostly) martensitic transformation from BCC to HCP; the role of diffusion in such lattice anomalies is shown to be minimal.
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We investigate the connection between crystal symmetry and temporal and spectral properties of high-order harmonics in solids. We calculate the orientation-dependent harmonic spectrum driven by an intense, linearly polarized infrared laser field, using a momentum-space description of the generation process in terms of strong-field-driven electron dynamics on the band structure. We show that the orientation dependence of both the spectral yield and the subcycle time profile of the harmonic radiation can be understood in terms of the coupling strengths and relative curvatures of the valence band and the low-lying conduction bands. In particular, we show that in some systems this gives rise to a rapid shift of a quarter optical cycle in the timing of harmonics in the secondary plateau as the crystal is rotated relative to the laser polarization. Here, we address recent experimental results in MgO and show that the observed change in orientation dependence for the highest harmonics can be interpreted in the momentum space picture in terms of the contributions of several different conduction bands.
An in situ optical pump and x-ray probe technique has been utilized to study photoinitiated solid-state diffusion in a Ni-Pt multilayer system. Hard x-ray diffraction has been used to follow the systematic growth of the NiPt alloy as a function of laser intensity and total energy deposited. It is observed that new phase growth can be driven in as little as one laser pulse, and that repeated photoexcitation can completely convert the entire multilayer structure into a single metallic alloy. In conclusion, the data suggest that lattice strain relaxation takes place prior to atomic diffusion and the formation of a NiPt alloy.
Optimization of electron coupling into small solid angles is of extreme importance to applications, such as Fast Ignition, that require maximum electron energy deposition within a small volume. To optimize this coupling, we use the ultra-high-contrast Trident laser, which remains below intensity of 10 11 W/cm 2 until < 0.1 ns before the main pulse, while still attaining high-energy, 75 J, and peak intensity of 5 x 10 19 W/cm 2 . Using a cone-wire target, we find that the coupling into the 40 μm diameter wire is increased by a factor of 2.7x over the low-contrast Titan laser at similar peak intensity. Full-scale simulations are used to model the laser interaction and quantitatively reproduce the experimental results. These show that increase in coupling is due to both a closer interaction, as well as the reduction of laser filamentation and self-focusing.
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This paper studies the interactions of two plane waves in elastic solids with quadratic nonlinearity. In particular, the necessary and sufficient conditions for resonant mixing of two plane waves are derived. It is shown that the conventional resonance condition for resonant mixing of plane waves is only a necessary condition, not sufficient. Based on the newly derived necessary and sufficient conditions, resonant mixing of various types of plane waves are investigated and specific conditions for generating a resonant mixed wave are obtained for each case. These results are useful for developing nonlinear ultrasonic nondestructive evaluation techniques using the wave mixing method.
17th International Symposium on Solid Oxide Fuel Cells (SOFC-XVII), Virtual, July 18-23, 2021
Garnet-structured Li 6.75 La 3 Zr 1.75 Ta 0.25 O 12 (LLZTO) is one of the most promising electrolyte materials for solid-state Li batteries (SS-LiB). The design and fabrication of a good cathode/electrolyte interface is an important criterion for the SS-LiB. In this work, we performed a systematic study on the impact of cathode crystal structure and chemical compositions on their chemical stabilities against the LLZTO at elevated temperatures, which are required for their adhesion during cell fabrication processes. X-ray Diffraction (XRD) and Rietveld refinement analyses revealed the chemical stabilities of various cathode materials in contact with the LLZTO. While layered LiCoO 2 cathode showed good stability in contact with LLZTO to 900 °C, LiNiO 2 or Ni-rich LiNi x Mn y Co 1–x–y O 2 (NMC) cathodes suffered from the formation of La 4 NiLiO 8 due to La-diffusion from LLZTO. Furthermore, Mn-rich LiMn 2 O 4 spinel and layered LiNi 1/3 Mn 1/3 Co 1/3 O 2 cathodes suffered from the formation of La 2 Zr 2 O 7 due to Li-diffusion and production of Li 2 MnO 3 . As a result, LiNi 0.6 Mn 0.2 Co 0.2 O 2 , having an ideal balance of Ni/Mn/Co composition, or Li 2 MnO 3 containing cathodes such as Li 1.2 Ni 0.15 Mn 0.55 Co 0.1 O 2 were found to have excellent phase stability as the cathodes for LLZTO-based SS-LiBs.
Tin (Sn) nanoparticle electrodes have been prepared and battery cycling performance has been investigated with 1.2 M LiPF6 in ethylene carbonate (EC) / diethyl carbonate (DEC) electrolyte (1:1, w/w) with and without added vinylene carbonate (VC) or fluoroethylene carbonate (FEC). Incorporation of either VC or FEC improves the capacity retention of Sn nanoparticle electrodes although incorporation of VC also results in a significant increase in cell impedance. The best electrochemical performance was observed with electrolyte containing 10% of added FEC. In order to develop a better understanding of the role of the electrolyte in capacity retention and solid electrolyte interface (SEI) structure, ex-situ surface analysis has been performed on cycled electrodes with infrared (IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and Hard XPS (HAXPES). The ex-situ analysis reveals a correlation between electrochemical performance, electrolyte composition, and SEI structure.
There are several engineering applications in which the assumptions of homogenization and scale separation may be violated, in particular, for metallic structures constructed through additive manufacturing. Instead of resorting to direct numerical simulation of the macroscale system with an embedded fine scale, an alternative approach is to use an approximate macroscale constitutive model, but then estimate the model-form error using a posteriori error estimation techniques and subsequently adapt the macroscale model to reduce the error for a given boundary value problem and quantity of interest. Here, we investigate this approach to multiscale analysis in solids with unseparated scales using the example of an additively manufactured metallic structure consisting of a polycrystalline microstructure that is neither periodic nor statistically homogeneous. As a first step to the general nonlinear case, we focus here on linear elasticity in which each grain within the polycrystal is linear elastic but anisotropic.
Molybdenum (Mo)-based alloys offer higher temperature capability than nickel-based superalloys. The challenge of designing these alloys is tailoring the chemistry and microstructure to achieve high-temperature strength, creep and fatigue resistance, and oxidation resistance while maintaining lower-temperature ductility and damage tolerance. Structure-properties modeling tools can be used to identify optimum microstructures. However, one missing element in this tool set is a constitutive model for the more ductile α-Mo phase over the entire temperature range from room temperature to 1,400°C. A crystal viscoplasticity model is developed for α-Mo, including the influence of varying amounts of silicon (Si) in solid solution. As a result, the temperature, strain rate, and Si dependence of the deformation behavior needed to determine the model parameters are obtained from new compression experiments.
In Task1 we explained the layout of the staggered grid adopted in the UL0_2.4 a finite difference computer program developed by Pitarka (1996,1999). The objective of the second task is to modify the UL0_2.4 program in order to extend its application to computing elastic wave propagation in heterogeneous structures with irregular surface topography and solid-liquid boundaries. The new program UL0_2.4W preserves the structure and variable-grid finite-difference technique used in the original computer program. The list of computer programs for running the FD code, and programs for post processing the output data is given in the Appendix.
all solid state Li battery made with organosulfide cathode, flexible thin SSE and Li anode
The project has two primary objectives: (1) down select three-dimensional (3D) printing and post-processing approaches for solid-state electrolyte (SSE) / cathode integration, and (2) understand battery failure mechanisms via ex situ and in situ characterization.