Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “mixed conduction”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tailoring optical response of MXene thin films

Due to their attractive optical properties, 2D MXenes have garnered interest in nanophotonic and optoelectronic applications. However, tuning their properties typically requires the iterative synthesis of MXenes with a specific set of properties, such as the absorption band position, electronic conductivity, and dielectric constant. We demonstrate how to tailor the optical properties of MXene thin films over a broad 1500-nm wavelength range by mixing different ratios of highly conductive Ti 3 C 2 T x with poorly conductive Nb 2 CT x . By changing the MXene film composition, the epsilon-near-zero (ENZ) point, where the optical properties transit from dielectric to metallic, was varied in the spectral range from 1.1 to 2.6 µm. Additionally, we observed a reduction in absorption in some compositions compared to the absorption of the pure MXene films. Compared to other methods, this approach enables simple and continual tuning of MXene optical properties without requiring multiple time-consuming synthesis steps.

2D materials↗
DOE OSTI2022

Halide sublattice dynamics drive Li-ion transport in antiperovskites

Here, in this work, we resolve how proton dynamics and halide mixing enhance or impede ionic conduction in protonated lithium antiperovskites (pLiAP) at compositions near the eutectic points of the halide salts. As a material class, pLiAPs of the form Li 3-x OH x X, (X = Cl, Br) show vast compositional design freedom; however, the resulting properties are susceptible to synthesis and processing methodologies. Proton incorporation and halide mixing stabilize the perovskite cubic phase at low temperatures (<50 °C) and using halide mixtures near the eutectic points (~250 to 300 °C) offer possibilities of lower temperature and faster synthesis and processing conditions (<1 h). Mixed-halide compositions such as Li 2 OHCl 0.37 Br 0.63 lead to a 30-fold improvement in room temperature ionic conductivity of a single halide structure, 1.5 × 10 -6 vs. 4.9 × 10 -8 S cm -1 (Li 2 OHCl). We combine infrared spectroscopy and nuclear magnetic resonance with first-principles density functional theory calculations to deconvolute halide mixing effects from local proton dynamics on Li-ion transport. In contrast to what has been supposed, our findings suggest that the halide sublattice dynamics, besides the OH rotation, correlate strongly with the fast-ion conduction at high temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Giant Isotope Effect of Thermal Conductivity in Silicon Nanowires

Isotopically purified semiconductors potentially dissipate heat better than their natural, isotopically mixed counterparts as they have higher thermal conductivity (κ). But the benefit is low for Si at room temperature, amounting to only ~10% higher κ for bulk 28 Si than for bulk natural Si ( nat Si). Here we show that in stark contrast to this bulk behavior, 28 Si (99.92% enriched) nanowires have up to 150% higher κ than nat Si nanowires with similar diameters and surface morphology. Using a first-principles phonon dispersion model, this giant isotope effect is attributed to a mutual enhancement of isotope scattering and surface scattering of phonons in nat Si nanowires, correlated via transmission of phonons to the native amorphous SiO 2 shell. The Letter discovers the strongest isotope effect of κ at room temperature among all materials reported to date and inspires potential applications of isotopically enriched semiconductors in microelectronics.

36 MATERIALS SCIENCE↗
NASA NTRS1974

An oscillatory kernel function method for lifting surfaces in mixed transonic flow

A study was conducted on the use of combined subsonic and supersonic linear theory to obtain economical and yet realistic solutions to unsteady transonic flow problems. With some modification, existing linear theory methods were combined into a single computer program. The method was applied to problems for which measured steady Mach number distributions and unsteady pressure distributions were available. By comparing theory and experiment, the transonic method showed a significant improvement over uniform flow methods. The results also indicated that more exact local Mach number effects and normal shock boundary conditions on the perturbation potential were needed. The validity of these improvements was demonstrated by application to steady flow.

Cunningham, A. M., Jr.↗
NASA NTRS1976

Effects of forward velocity on turbulent jet mixing noise

Flight simulation experiments were conducted in an anechoic free jet facility over a broad range of model and free jet velocities. The resulting scaling laws were in close agreement with scaling laws derived from theoretical and semiempirical considerations. Additionally, measurements of the flow structure of jets were made in a wind tunnel by using a laser velocimeter. These tests were conducted to describe the effects of velocity ratio and jet exit Mach number on the development of a jet in a coflowing stream. These turbulence measurements and a simplified Lighthill radiation model were used in predicting the variation in radiated noise at 90 deg to the jet axis with velocity ratio. Finally, the influence of forward motion on flow-acoustic interactions was examined through a reinterpretation of the 'static' numerical solutions to the Lilley equation.

Plumblee, H. E., Jr.↗
NASA NTRS1990

Supersaturation, droplet spectra, and turbulent mixing in clouds

Much effort has recently gone into explaining the observed broad precoalescence size distribution of droplets in cloud and fogs, because this differs from the results of condensational growth calculations which lead to much narrower distributions. A good example of droplet size-distribution broadening was observed on flight 17 (25 July) of the NRL tethered balloon during the 1987 FIRE San Nicolas Island IFO. These observations caused the interactions between cloud microphysics and turbulent mixing to be re-examined. The findings of Broadwell and Breidenthal (1982) who conducted laboratory and theoretical studies of mixing in shear flow, and those of Baker et al. (1984) who applied the earlier work to mixing in clouds, were used. Rather than looking at the 25 July case at SNI, earlier fog observations made at SUNY (6 Oct. 1982) which also indicated that shear-induced mixing was taking place, and which had a better collection of microphysical measurements including more precise supersaturation measurements and detailed vertical profiles of meteorological parameters were chosen instead.

Gerber, H.↗
NASA NTRS2003

Turbulent Mixing of Multiphase Flow

Thus we conduct numerical simulations of multiphase fluids stirred by two-dimensional turbulence to assess the possibility of self-similar drop size distribution in turbulence. In our turbulence simulations, we also explore the non-diffusive limit, where molecular mobility for the interface is vanishing. Special care is needed to transport the non-diffusive interface. Numerically, we use the particle level set method to evolve the interface. Instead of using the usual methods to calculate the surface tension force from the level set function, we reconstruct the interface based on phase- field modeling, and calculate the continuum surface tension forcing from the reconstructed interface.

Young, Y.-N.↗
DOE OSTI2021

Multicomponent pyrochlore solid solutions with uranium incorporation – A new perspective of materials design for nuclear applications

Multicomponent pyrochlore solid solutions with and without uranium incorporation were fabricated and their thermal-mechanical properties were characterized. Multicomponent pyrochlore solid solutions without uranium exhibit comparable thermal conductivity and higher mechanical strength compared to baseline single component rare-earth titanate pyrochlore (A 2 Ti 2 O 7 ). Uranium incorporation reduces hardness as compared with single component compositions. High entropy pyrochlore with uranium displays the highest thermal conductivity within multicomponent pyrochlore solid solutions with significantly better mechanical properties than UO 2 . The measured thermal conductivity correlates well with A-site cation mixing entropy and a modified size disorder parameter, and thus the size disorder and mixing entropy could be good indicators for predicting thermal conductivity of multicomponent pyrochlore solid solutions. This work opens up the possibility of designing multicomponent oxide solid solutions by controlling their chemical disorder/mixing entropy to achieve acceptable thermal-mechanical properties, desired radiation and corrosion performance for potential nuclear waste form and inert matrix fuel applications.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2014

Influence of Mixed Mode I-Mode II Loading on Fatigue Delamination Growth Characteristics of a Graphite Epoxy Tape Laminate

Mixed mode I-mode II interlaminar tests were conducted on IM7/8552 tape laminates using the mixed-mode bending test. Three mixed mode ratios, G(sub II)/G(sub T) = 0.2, 0.5, and 0.8, were considered. Tests were performed at all three mixed-mode ratios under quasi-static and cyclic loading conditions, where the former static tests were used to determine initial loading levels for the latter fatigue tests. Fatigue tests at each mixed-mode ratio were performed at four loading levels, Gmax, equal to 0.5G(sub c), 0.4G(sub c), 0.3G(sub c), and 0.2G(sub c), where G(sub c) is the interlaminar fracture toughness of the corresponding mixed-mode ratio at which a test was performed. All fatigue tests were performed using constant-amplitude load control and delamination growth was automatically documented using compliance solutions obtained from the corresponding quasi-static tests. Static fracture toughness data yielded a mixed-mode delamination criterion that exhibited monotonic increase in Gc with mixed-mode ratio, G(sub II)/G(sub T). Fatigue delamination onset parameters varied monotonically with G(sub II)/G(sub T), which was expected based on the fracture toughness data. Analysis of non-normalized data yielded a monotonic change in Paris law exponent with mode ratio. This was not the case when normalized data were analyzed. Fatigue data normalized by the static R-curve were most affected in specimens tested at G(sub II)/G(sub T)=0.2 (this process has little influence on the other data). In this case, the normalized data yielded a higher delamination growth rate compared to the raw data for a given loading level. Overall, fiber bridging appeared to be the dominant mechanism, affecting delamination growth rates in specimens tested at different load levels and differing mixed-mode ratios.

Ratcliffe, James G.↗
NASA NTRS1992

Single element injector testing for STME injector technology

An oxidizer-swirled coaxial element injector is being developed for application in the liquid oxygen/gaseous hydrogen Space Transportation Main Engine (STME) for the National Launch System (NLS) vehicle. This paper reports on the first two parts of a four part single injector element study for optimization of the STME injector design. Measurements of Rupe mixing efficiency and atomization characteristics are reported for single element versions of injection elements from two multielement injectors that have been recently hot fire tested. Rather than attempting to measure a definitive mixing efficiency or droplet size parameters of these injector elements, the purpose of these experiments was to provide a baseline comparison for evaluating future injector element design modifications. Hence, all the experiments reported here were conducted with cold flow simulants to nonflowing, ambient conditions. Mixing experiments were conducted with liquid/liquid simulants to provide economical trend data. Atomization experiments were conducted with liquid/gas simulants without backpressure. The results, despite significant differences from hot fire conditions, were found to relate to mixing and atomization parameters deduced from the hot fire testing, suggesting that these experiments are valid for trend analyses. Single element and subscale multielement hot fire testing will verify optimized designs before committing to fullscale fabrication.

Hulka, J.↗
NASA NTRS2005

Consistent Large-Eddy Simulation of a Temporal Mixing Layer Laden with Evaporating Drops: A Posteriori Modelling - Part 2

Large-eddy simulation (LES) is conducted of a three-dimensional temporal mixing layer whose lower stream is initially laden with liquid drops which may evaporate during the simulation. The gas-phase equations are written in an Eulerian frame for two perfect gas species (carrier gas and vapour emanating from the drops), while the liquid-phase equations are written in a Lagrangian frame. The effect of drop evaporation on the gas phase is considered through mass, species, momentum and energy source terms. The drop evolution is modelled using physical drops, or using computational drops to represent the physical drops. Simulations are performed using various LES models previously assessed on a database obtained from direct numerical simulations (DNS). These LES models are for: (i) the subgrid-scale (SGS) fluxes and (ii) the filtered source terms (FSTs) based on computational drops. The LES, which are compared to filtered-and-coarsened (FC) DNS results at the coarser LES grid, are conducted with 64 times fewer grid points than the DNS, and up to 64 times fewer computational than physical drops. It is found that both constant-coefficient and dynamic Smagorinsky SGS-flux models, though numerically stable, are overly dissipative and damp generated small-resolved-scale (SRS) turbulent structures. Although the global growth and mixing predictions of LES using Smagorinsky models are in good agreement with the FC-DNS, the spatial distributions of the drops differ significantly. In contrast, the constant-coefficient scale-similarity model and the dynamic gradient model perform well in predicting most flow features, with the latter model having the advantage of not requiring a priori calibration of the model coefficient. The ability of the dynamic models to determine the model coefficient during LES is found to be essential since the constant-coefficient gradient model, although more accurate than the Smagorinsky model, is not consistently numerically stable despite using DNS-calibrated coefficients. With accurate SGS-flux models, namely scale-similarity and dynamic gradient, the FST model allows up to a 32-fold reduction in computational drops compared to the number of physical drops, without degradation of accuracy; a 64-fold reduction leads to a slight decrease in accuracy.

two-phase flow↗
DOE OSTI2021

Crosslinked polymer binders for electrochemical energy storage devices

An electrochemical storage device including a conductive material and an electrochemical storage device material held together by a covalently crosslinked binder matrix. A method of forming an electrode for an electrochemical storage device, the method including the steps of: mixing electrochemical storage device material, conductive material, linear polymer, and crosslinker with one or more solvents, the resultant mixture forming an electrode slurry, crosslinking the linear polymer with the crosslinker to thereby create a covalently crosslinked polymer network of the polymer and crosslinker, the crosslinked polymer network physically or chemically binding together the electrochemical storage device material and the conductive material.

Zhu, Yu↗
DOE OSTI2021

Investigating the Evolution of Ice Particle Distributions in Mixed-Phase Clouds

The goal of this project is to conduct modeling studies that focus on the processes that control the macrophysical and microphysical properties of mixed phase clouds, such as the partitioning of water phase and the processes that promote precipitation and govern cloud evolution. The process specific to this project is the collection of vapor-grown non-spherical ice crystals and snow hydrometeors through aggregation, as uncertainty remains in the evolution of particle properties as they aggregate. To aid in the understanding of ice particle evolution from pristine monomers to aggregates, the aggregation process is depicted using an offline simulator for ice crystal collection, namely the Ice Particle and Aggregate Simulator (IPAS). Of particular interest in the context of this work is the influence of monomer habit on aggregation and subsequently on cloud microphysical structure. This overarching goal has been completed by conducting modeling studies using the Adaptive Habit Model (AHM) in mixed-phase cloud systems, which predicts and evolves ice shape. While the AHM is designed with physical detail in mind, those details may be lost on larger spatial or temporal scales. Hence, how the contributions of particle growth and collection control the evolution of ice particle size distributions (PSDs) and redistribute mass within the cloud and at the surface has been investigated. Analyses include microphysical sensitivity investigations that inform on future improvement capabilities of microphysical parameterizations in larger scale models. Further, improvements of processes within ice clouds have resulted from this work as the environmental processes controlling ice crystal growth, microphysical processes, and precipitation are inherently integrated within this investigation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Anisotropic hybridization in CeRhSn

The optical conductivity σ⁡(ω, T) of CeRhSn was studied by broadband infrared spectroscopy. Temperature-dependent spectral weight transfer occurs over high energy (0.8 eV) and temperature (~500 K) scales, classifying CeRhSn as a mixed-valent compound. The optical conductivity reveals a substantial anisotropy in the electronic structure. Renormalization of σ⁡(ω, T) occurs as a function of temperature to a coherent Kondo state with concomitant effective mass generation. Associated spectroscopic signatures were reproduced remarkably well by the combination of density functional theory and dynamical mean-field theory using a momentum-independent self-energy. The theory shows that the anisotropy for energies > 10 meV is mainly driven by the bare three-dimensional electronic structure that is renormalized by local electronic correlations. The possible influence of magnetic frustration and quantum criticality is restricted to lower energies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Low thermal conductivity in Bi 8 CsO 8 SeX 7 (X = Cl, Br) by combining different structural motifs

Understanding the structure–property relationships of materials in order to supress thermal conductivity is crucial for developing efficient thermoelectric generators and thermal barrier coatings. Low thermal conductivity materials can often contain a single dominant phonon scattering mechanism. Here, we highlight how combining different structural features into one material can aid in the design and identification of new materials with low thermal conductivities. We synthesise two new mixed-anion materials, Bi 8 CsO 8 SeX 7 (X = Cl and Br), with low thermal conductivities of 0.27(2) and 0.22(2) W m -1 K -1 respectively, measured along their c-axes at room temperature. The Bi 8 CsO 8 SeX 7 materials possess a combination of bond strength hierarchies, Cs + vacancies, and low frequency Cs + rattling. These different features significantly inhibit phonon transport along different crystallographic directions. Due to sharp bond strength contrast between the van der Waals gaps and [Bi 2 O 2 ] 2+ layers, the Bi 8 CsO 8 SeX 7 materials exhibit thermal conductivities <50% of the theoretical minimum when measured along the stacking direction. Conversely, the thermal conductivity associated with the ab-plane is reduced by Cs + rattling when compared to the structurally and compositionally related BiOCl.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Faradaic efficiency in protonic-ceramic electrolysis cells

Abstract Proton-conducting ceramics (e.g. doped barium zirconates or cerates) are typically mixed ionic-electronic conductors (MIECs). The electronic conduction, typically in the form of positively charged small polarons or electron holes, leads to ‘electronic leakage.’ In an ideal steam-electrolysis cell, one gas-phase H 2 molecule is produced from every two electrons delivered from an external power source. In other words, such ideal behavior achieves 100% faradaic efficiency. However, the electronic flux associated with MIEC membranes contributes to reduced faradaic efficiency. The present paper develops a model that predicts the behavior of faradaic efficiency as a function of electrolysis-cell operating conditions. Although the model framework is more general, the paper focuses on the behavior of a cell based upon a BaCe 0.7 Zr 0.1 Y 0.1 Yb 0.1 O 3 − δ (BCZYYb) membrane. The study predicts the effects of operating conditions, including temperature, pressure, and gas compositions.

Zhu, Huayang↗