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At least 325 records · Page 18

Solvation Environment and Interface Dynamics of Li 2 B 12 H 12 and Li 2 B 12 F 12 Electrolytes Uncovered by Theory and Operando Optical and FTIR Spectroelectrochemistry

In this work, we evaluated two closo-borate salts (Li 2 B 12 H 12 and Li 2 B 12 F 12 ) in propylene carbonate from theoretical and experimental perspectives to understand how the coordination environment influences their spectroscopic and electrochemical properties. The coordination environments of the closo-borate salts were modeled via density functional theory (DFT) and molecular dynamics (MD). Vibrational spectra calculated from the predicted coordination environments are in agreement with experimentally measured steady-state FTIR data. This theoretical investigation also suggested that Li 2 B 12 F 12 would possess a higher ionic conductivity than Li 2 B 12 H 12 , which was corroborated experimentally. Additionally, an electrochemical cell was designed and fabricated that enabled operando optical and FTIR spectroelectrochemical (OP-IR-SEC) measurements. This allowed for the simultaneous measurement of the relative changes of species at a lithium electrode-liquid electrolyte interface and the visualization of lithium plating at the electrode surface. This technique could provide new chemical insights and potentially link optical changes at the electrode–electrolyte interface to specific chemical species in similar electrochemical systems. The Li 2 B 12 F 12 electrolyte was found to have a higher thermal stability, which may find utility in applications for batteries that are subject to high-temperature conditions.

36 MATERIALS SCIENCE↗

The thermal stability of coronal loops - Numerical simulations

The radiative stability of thermally isolated coronal loops with free-flow boundary conditions by nonlinear numerical simulation are studied. A chromosphere-to-corona loop equilibrium (including the option of a deep chromosphere) is first established by following the nonlinear evolution from an initial isothermal state with rigid boundaries. The end conditions are then changed, to allow free flow and to fix the temperature, and investigate the response to nonisobaric perturbations. Within a family of loops of the same pressure, long hot loops to be stable and short cool loops to be unstable to the thermal chromospheric-expansion mode are found. The stable cases remain so, even when long chromospheric ends and/or gravity are added. In those cases which are unstable, the subsequent nonlinear evolution which exhibits swelling of the chromosphere until the entire loop becomes cool and dense are followed.

Mok, Y.↗

Sintering Characteristics of Multilayered Thermal Barrier Coatings Under Thermal Gradient and Isothermal High Temperature Annealing Conditions

Pyrochlore oxides have most of the relevant attributes for use as next generation thermal barrier coatings such as phase stability, low sintering kinetics and low thermal conductivity. One of the issues with the pyrochlore oxides is their lower toughness and therefore higher erosion rate compared to the current state-of-the-art TBC material, yttria (6 to 8 wt%) stabilized zirconia (YSZ). In this work, sintering characteristics were investigated for novel multilayered coating consisted of alternating layers of pyrochlore oxide viz Gd2Zr2O7 and t' low k (rare earth oxide doped YSZ). Thermal gradient and isothermal high temperature (1316 C) annealing conditions were used to investigate sintering and cracking in these coatings. The results are then compared with that of relevant monolayered coatings and a baseline YSZ coating.

Thermal Barrier Coatings↗

Flammability: A Review and Analysis

With its founding in 1975, Committee G-4 of the American Society for Testing and Materials (ASTM) embarked on the process of defining the flammability of metallic materials in oxygen-enriched atmospheres. In this process, they are joined by the National Aeronautics and Space Administration (NASA), the National Fire Protection Association (NFPA), and the Compressed Gas Association (CGA). Although none of these organizations has explicitly defined flammability, the following definitions and statements provide a composite understanding of the concept: 1. "This Standard Guide (ASTM G94-92) is concerned primarily with the properties of a material associated with its relative susceptibility to ignition and propagation of combustion." 2. "A material is considered flammable at the maximum use pressure if at least one sample burns more than 6 in. (15.2 cm). At least, five samples must be tested." NASA 3. "Flammable: Capable, when ignited of maintaining combustion under the specified environmental conditions." NFPA 53. 4. "Combustion: A complex sequence of chemical reactions between a fuel and an oxidant accompanied by the evolution of heat, and usually, the emission of light." NFPA 53. and 5. "A safe oxygen-piping transmission or distribution system is one that is designed and installed in accordance with all applicable codes and regulations for the service conditions and locations involved and further meets the special requirements for oxygen services." CGA-G4 Flammability thus equates, after ignition, to propagation of combustion, synonymous with steady state burning, under specified environmental conditions. Properties for which quantitative values are given in ASTM G94-92 and which are used to describe metals flammability consistent with the concept of steady state burning are either system independent properties, such as, enthalpies of reaction, burn ratios, flame temperatures, thermal conductivity, and heat release; or system dependent properties, such as, oxygen index, promoted combustion, threshold pressure and burn rates. Each property is reviewed and analyzed as to whether it provides an absolute or relative measure for flammability. It is shown that burn ratio, as applied to the actual steady state combustion condition, approaches the desired absolute measure of flammability.

Wilson, D. Bruce↗

Viscous Three-Dimensional Simulation of Flow in an Axial Low Pressure Compressor at Engine Icing Operating Points

Viscous three-dimensional simulations of the Honeywell ALF502R-5 low pressure compressor (sometimes called a booster) using the NASA Glenn code GlennHT have been carried out. A total of ten simulations were produced. Five operating points are investigated, with each point run with two different wall thermal conditions. These operating points are at, or near, points where engine icing has been determined to be likely. In the future, the results of this study will be used for further analysis such as predicting collection efficiency of ice particles and ice growth rates at various locations in the compressor. A mixing plane boundary condition is used between each blade row, resulting in convergence to steady state within each blade row. The k-omega turbulence model of Wilcox, combined with viscous grid spacing near the wall on the order of one, is used to resolve the turbulent boundary layers. For each of the operating points, heat transfer coefficients are generated on the blades and walls. The heat transfer coefficients are produced by running the operating point with two different wall thermal conditions and then solving simultaneously for the heat transfer coefficient and adiabatic wall temperature at each point. Average Nusselt numbers are calculated for the most relevant surfaces. The values are seen to scale with Reynolds number to approximately a power of 0.7. Additionally, images of surface distribution of Nusselt number are presented. Qualitative comparison between the five operating points show that there is relatively little change in the character of the distribution. The dominant observed effect is that of an overall scaling, which is expected due to Reynolds number differences. One interesting aspect about the Nusselt number distribution is observed on the casing (outer diameter) downstream of the exit guide vanes (EGVs). The Nusselt number is relatively high between the pairs of EGVs, with two lower troughs downstream of each EGV trailing edge. This is of particular interest since rather complex ice shapes have been observed in that region.

compressor↗

Influence of Cooling Channel Geometry on the Thermal Response in Silicon Nitride Plates Studied

Engine manufacturers are continually attempting to improve the performance and efficiency of internal combustion engines. Usually they raise the operating temperature or reduce the cooling air requirement for the hot section turbine components. However, the success of these attempts depends on finding materials that are lightweight, are strong, and can withstand high temperatures. Ceramics are among the top candidate materials considered for such harsh applications. They hold low-density, high-temperature strength, and thermal conductivity, and they are undergoing investigation as potential materials for replacing nickel-base alloys and superalloys that are currently used for engine hot-section components. Ceramic structures can withstand higher operating temperatures and a harsh combustion environment. In addition, their low densities relative to metals help reduce component mass. The long-term objectives of the High Temperature Propulsion Components (HOTPC) Project are to develop manufacturing technology, thermal and environmental barrier coatings (TBC/EBC), and the analytical modeling capability to predict thermomechanical stresses in minimally cooled silicon nitride turbine nozzle vanes under simulated engine conditions. Two- and three-dimensional finite element analyses with TBC were conducted at the NASA Glenn Research Center. Nondestructive evaluation was used to determine processing defects. The study included conducting preliminary parametric analytical runs of heat transfer and stress analyses under steady-state conditions to demonstrate the feasibility of using cooled Si3N4 parts for turbine applications. The influence of cooling-channel shapes (such as circular, square, and ascending-order cooling channels) on cooling efficiency and thermal stresses was investigated. Temperature distributions were generated for all cases considered under both cooling and no-cooling conditions, with air being the cooling medium. The table shows the magnitude of the maximum and minimum temperature obtained for the plates under air cooling. Each channel's cross-sectional shape delivered a different temperature; however, the two-dimensional analyses for circular and square or equal-side rectangular holes produced close results. Moreover, the model of the panel with ascending order cooling channels experienced the lowest temperature. A difference of near 260 C was found among the three cooling-hole configurations investigated. The ascending-order cooling channels arrangement showed superior performance by attaining the lowest temperature (1077 C) in comparison to the circular (1379 C) and square (1343 C) channels for the same cooling-hole size. This indicates that the panel with ascending-order cooling channels is the most suitable configuration regardless of the complexity involved in its manufacture. More details pertaining to this study are reported.

Abdul-Aziz, Ali↗

Nanocluster Active Sites Formed on Heterogeneous Thermal Catalysts and Electrocatalysts by Operando Reactive Environments

Here, in this Viewpoint, we summarize our recent studies in this endeavor, ending with a forward-looking perspective into the remaining challenges and open questions for consideration by the catalysis community. Through a computationally efficient framework of systematically investigating metal atom ejection from and migration onto metal surfaces, leading to the formation of metal atom clusters, we show that the surface of a metal catalyst is dynamic and much less rigid than previously thought. We suggest that the operando formed metal atom clusters are novel active sites, which can dominate the activity of steps or kinks (let aside terraces) from where their constituent atoms were ejected. Through more readily responding to reaction conditions by forming catalytically active clusters, solid metal catalysts approach not only homogeneous catalyst motifs, thus establishing a bridge between homogeneous and heterogeneous catalysis, but also liquid metals which have been suggested to be better than traditional heterogeneous catalysts.

adsorption↗

NeuroSEM: A hybrid framework for simulating multiphysics problems by coupling PINNs and spectral elements

Multiphysics problems that are characterized by complex interactions among fluid dynamics, heat transfer, structural mechanics, and electromagnetics, are inherently challenging due to their coupled nature. While experimental data on certain state variables may be available, integrating these data with numerical solvers remains a significant challenge. Physics-informed neural networks (PINNs) have shown promising results in various engineering disciplines, particularly in handling noisy data and solving inverse problems in partial differential equations (PDEs). However, their effectiveness in forecasting nonlinear phenomena in multiphysics regimes, particularly involving turbulence, is yet to be fully established. Here, this study introduces NeuroSEM, a hybrid framework integrating PINNs with the highfidelity Spectral Element Method (SEM) solver, Nektar++. NeuroSEM leverages the strengths of both PINNs and SEM, providing robust solutions for multiphysics problems. PINNs are trained to assimilate data and model physical phenomena in specific subdomains, which are then integrated into the Nektar++ solver. We demonstrate the efficiency and accuracy of NeuroSEM for thermal convection in cavity flow and flow past a cylinder. The framework effectively handles data assimilation by addressing those subdomains and state variables where the data is available. We applied NeuroSEM to the Rayleigh-B´enard convection system, including cases with missing thermal boundary conditions and noisy datasets. Finally, we applied the proposed NeuroSEM framework to real particle image velocimetry (PIV) data to capture flow patterns characterized by horseshoe vortical structures. Our results indicate that NeuroSEM accurately models the physical phenomena and assimilates the data within the specified subdomains. The framework’s plug-and-play nature facilitates its extension to other multiphysics or multiscale problems. Furthermore, NeuroSEM is optimized for efficient execution on emerging integrated GPU-CPU architectures. This hybrid approach enhances the accuracy and efficiency of simulations, making it a powerful tool for tackling complex engineering challenges in various scientific domains.

42 ENGINEERING↗

Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) for studying materials and processes under extreme conditions

Externally heated diamond anvil cells provide a stable and uniform thermal environment, making them a versatile device to simultaneously generate high-pressure and high-temperature conditions in various fields of research, such as condensed matter physics, materials science, chemistry, and geosciences. The present study features the Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) system, a versatile configuration consisting of a diamond anvil cell with a customized microheater for stable resistive heating, bidirectional pressure control facilitated by compression and decompression membranes, and a water-cooled enclosure suitable for vacuum and controlled atmospheres. This integrated system excels with its precise control of both pressure and temperature for mineral and materials science research under extreme conditions. Here, we showcase the capabilities of the system through its successful application in the investigation of the melting temperature and thermal equation of state of high-pressure ice-VII at temperatures up to 1400 K. The system was also used to measure the elastic properties of solid ice-VII and liquid H 2 O using Brillouin scattering and Raman spectra of carbonates using Raman spectroscopy, highlighting the potential of the EH-DANCE system in high-pressure research.

Instruments & Instrumentation↗

Shock processing of interstellar grains

Shock processing plays an important role in the life of a typical interstellar grain. Shocks of 100 km/s-l or greater can destroy about 50% of the grain material under appropriate preshock conditions of density and magnetic field. The destruction occurs by grain-grain collisions and nonthermal sputtering for steady state radiative shocks and by thermal sputtering for fast adiabatic shocks. The evaluation of the lifetime of grains against shock destruction depends on models of the interstellar medium (ISM) structure and on supernova remnants (SNR) evolution. Results from various authors give lifetimes between 10 to the 8th and 10 to the 9th power years, compared to typical injection times for new grains of a few times 10 to the 9th power years. These numbers require that a major portion of the interstellar silicon bearing grain material must be formed by grain growth in the ISM. At the same time, the presence of isotopic anomalies in some meteorites implies that at least some grains must survive from their formation in SNRs or red giant winds through incorporation into the solar system.

Seab, C. G.↗

Hybrid Electric MC-12 Ground Testing Plan Chapter

In the commercial aviation world, hybrid/electric propulsion is a promising technology for fuel, emissions, and noise reduction in support of the challenging goals established by 2050 EU Flightpath/SRIA, NASA ARMD Strategic Implementation Plan, and the US Air Force ATTAM programs. Ongoing results indicate operational benefits are possible in those three technical areas. Considering military applications, hybrid/electric propulsion may yield further significant improvements by enabling new, unorthodox mission capabilities. Potential benefits are expected in the areas of vehicle signature reduction (lower noise, lower exhaust signature), usage in enhanced flight environments, minimized human-in-the-loop workload by offering a platform compatible with future goals of autonomous operations facilitation, maintenance cost reductions, and performance burst/dash energy. Additional synergies are likely when used in conjunction with energy weapons. Some potential areas of mutual interest could include, dusty operations capability, remote supply capability, extended surveillance, dispatch able power, fuel-flexible vehicles, and autonomous rescue equipment. Many of the key technologies that have been demonstrated in ground operation must now be qualified for altitude conditions. We expect to have many flight qualified powertrain systems over the next decade for military planners to choose from for new future battlefield capability. This requires new flight-weight and flight-efficient powertrain components, fault tolerant power management, and electromagnetic interference mitigation technologies. Moreover, initial studies indicate some combination of ambient and cryogenic thermal management and relatively high bus voltages when compared to state of practice will be required to achieve a net system benefit. Developing all these powertrain technologies within a realistic aircraft architectural geometry and under realistic operational conditions requires a unique electric aircraft test bed. The MC-12 surveillance aircraft is an ideal military aircraft for demonstrating some of the benefits of incorporating hybrid electric propulsion. This report details an approach for full-scale ground-based altitude testing the hybrid electric MC-12 powertrain through a full flight profile.

military electric aircraft propulsion↗

High speed cylindrical roller bearing analysis, SKF computer program CYBEAN. Volume 2: User's manual

The CYBEAN (Cylindrical Bearing Analysis) was created to detail radially loaded, aligned and misaligned cylindrical roller bearing performance under a variety of operating conditions. Emphasis was placed on detailing the effects of high speed, preload and system thermal coupling. Roller tilt, skew, radial, circumferential and axial displacement as well as flange contact were considered. Variable housing and flexible out-of-round outer ring geometries, and both steady state and time transient temperature calculations were enabled. The complete range of elastohydrodynamic contact considerations, employing full and partial film conditions were treated in the computation of raceway and flange contacts. Input and output architectures containing guidelines for use and a sample execution are detailed.

Kleckner, R. J.↗

High speed cylindrical roller bearing analysis. SKF computer program CYBEAN. Volume 2: User's manual

CYBEAN (CYlindrical BEaring ANalysis) was created to detail radially loaded, aligned and misaligned cylindrical roller bearing performance under a variety of operating conditions. Emphasis was placed on detailing the effects of high speed, preload and system thermal coupling. Roller tilt, skew, radial, circumferential and axial displacement as well as flange contact were considered. Variable housing and flexible out-of-round outer ring geometries, and both steady state and time transient temperature calculations were enabled. The complete range of elastohydrodynamic contact considerations, employing full and partial film conditions were treated in the computation of raceway and flange contacts. The practical and correct implementation of CYBEAN is discussed. The capability to execute the program at four different levels of complexity was included. In addition, the program was updated to properly direct roller-to-raceway contact load vectors automatically in those cases where roller or ring profiles have small radii of curvature. Input and output architectures containing guidelines for use and two sample executions are detailed.

Dyba, G. J.↗

Low Frequency High Amplitude Temperature Oscillations in Loop Heat Pipe Operation

This paper presents a theory that explains low frequency, high amplitude temperature oscillations in loop heat pipe (LHP) operation. Oscillations of the CC temperature with amplitudes on the order of tens of degrees Kelvin and periods on the order of hours have been observed in some LHPs during ambient testing. There are presently no satisfactory explanations for such a phenomenon in the literature. It is well-known that the operating temperature of an LHP with a single evaporator is governed by the compensation chamber (CC) temperature, which in turn is a function of the evaporator heat load, sink temperature, and ambient temperature. As the operating condition changes, the CC temperature will change during the transient but eventually reach a new steady temperature. Under certain conditions, however, the LHP never really reaches a true steady state, but instead displays an oscillatory behavior. The proposed new theory describes why low frequency, high amplitude oscillations may occur when the LHP has a low evaporator power, a low heat sink temperature (below ambient temperature), and a large thermal mass attached to the evaporator. When this condition prevails, there are some complex interactions between the CC, condenser, thermal mass and ambient. The temperature oscillation is a result of the large movement of the vapor front inside the condenser, which is caused by a change in the net evaporator power modulated by the large thermal mass through its interaction with the sink and CC. The theory agrees very well with previously published test data. Effects of various parameters on the amplitude and frequency of the temperature oscillation are also discussed.

Ku, Jentung↗

Precondensed matter - Key to the early solar system

Explicit astrophysical details are developed for the hypothesis that chemical and isotopic anomalies in primitive solar-system samples reflect routine initial chemical conditions within precondensed matter. The central feature of this theory concerns the chemical state of presolar dust, which is regarded as never having been vaporized in the region where the most chemically primitive samples (carbonaceous meteorites) accumulated. It is suggested that the initial chemical state of heavy atoms during meteorite and planetary accumulation was distributed between a refractory-mineral component from high-temperature condensation and a volatile component resulting from cold matter adhering to preexisting grains. Thermal conditions in the solar nebula are considered along with the existence of supernova condensates and other thermal condensates in the interstellar dust. Fractionation into volatile and refractory elements is idealized in terms of four distinct interstellar components, and the fractionated precondensed matter is described.

Clayton, D. D.↗

PELICAN Design, Test Planning, and Commissioning Results

To support design efforts for the Versatile Test Reactor (VTR) core assemblies, an experimental facility has been designed and constructed at Argonne National Laboratory to match the hydraulic flow conditions within the VTR’s primary heat transport system (PHTS). This facility, the Pressure drop Experimental Loop for Investigations of Core Assemblies in advanced Nuclear reactors, PELICAN, provides the ability to measure pressure drop across a full-scale fuel assembly containing prototypic axial reflectors, fuel, and plena components. The PELICAN facility was designed and built to offer maximum flexibility, allowing testing from short sub-sections all the way to the full-length core fuel assemblies. The report presents the high-level program objectives, a summary of the facility design, instrumentation, and control systems, and the testing procedure. The outcomes from facility characterization efforts and first test matrix results are then presented and then, finally, the conclusion contains a summary of the future work to be performed. This test facility was designed to match the hydraulic conditions of the flowing sodium in the VTR using water as a surrogate fluid. To do so, the water is elevated to a temperature of 110°C where its viscosity matches that of sodium, and with a 50-HP centrifugal pump, is capable of generating full scale flow rates to achieve prototypic Reynolds and Euler number flow conditions. To prevent boiling, the system is maintained at elevated pressure of at least 2.7-3.0 bar (40-44 psig). A set of 15 tests have been used to perform checkout activities in order to commission the device, survey the capabilities of PELICAN, and generate experimental data at isothermal conditions and over a range of flow rates up to 44 kg/s (700 GPM) to produce datasets used in the verification and validation of VTR design and modeling efforts. Initial testing focused on facility characterization, which assessed the operational capabilities of various control systems. The thermal control system was qualified, including the thermal response of the loop to the heat added by self- and auxiliary heaters, the chiller and heat exchanger systems for removing excess heat, and their coupled ability to maintain steady-state isothermal conditions as desired. Additionally, the pressure control system was verified to ensure necessary operating environments that promote pump health and prevent boiling of loop inventory at high temperatures could be met. With these systems in place, the first set of matrix tests have been carried out using orifice plates with inner diameters of 2.25-inches and 2.5-inches. Orifice plate flow behavior is well covered in scientific literature, and the results find good agreement with the measured pressure drop vs flow rate and those of theoretical predictions. This initial testing not only helps to validate the experiment, but it also produces a high quality data set for a geometry that is easily reproducible for simulations. Finally, the report is concluded with a discussion of the work to come and provides a snapshot of the test articles in the experimental pipeline whose designs are being inspired by the current designs from the VTR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Final analysis and design of a thermal protection system for 8-foot HTST combustor

The cylindrical shell combustor with T-bar supports in the 8-foot HTST at the NASA-Langley Research Center encountered vibratory fatigue cracking over a period of 50-250 tunnel tests within a limited range of the required operating envelope. A preliminary design study provided several suitable thermal protection system designs for the combustor, one of which was a two-pass regenerative type air-cooled omega-shaped segment liner. A final design layout of the omega segment liner was prepared and analyzed for steady-state and transient conditions. The design of a support system for the fuel spray bar assembly was also included. Detail drawings suitable for fabrication purposes were also prepared. Liner design problems defined during the preliminary study included (1) the ingress of gas into the attachment bulb section of the omega segment, (2) the large thermal gradient along the leg of the omega bulb attachment section and, (3) the local peak metal temperature at the radius between the liner ID and the leg of the bulb attachment. These were resolved during the final design task. Analyses of the final design of the omega segment liner indicated that all design goals were met and the design provided the capability of operating over the required test envelope with a life expectancy substantially above the goal of 1500 cycles.

Moskowitz, S.↗

Temperature-Dependent Mechanical Anisotropy in Textured Zircaloy Cladding

This work evaluates deformation activity in textured zircaloy-4 cladding with the aim of elucidating the mechanisms that govern mechanical behavior across a temperature range anticipated in reactor service. In particular, the dependence of mechanical anisotropy on temperature and stress state (ratio of applied stresses) is examined via uniaxial and biaxial tensile experiments at room temperature and 400 °C. The mechanical behavior was interpreted based on micro-texture and dominant slip system activity. Thermal activation of basal systems is found as a key mechanism affecting mechanical behavior across the temperature range. The biaxial stress states produce resolved shear stresses contrasting to uniaxial stress states. As a result, mechanical testing and implications for reactor pellet-cladding mechanical interaction stress conditions are discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗