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At least 487 records · Page 27

The role of the turbulent Prandtl number in turbine blade heat transfer prediction

Improvement of the prediction of external (gas-to-blade) heat transfer coefficients in gas turbine engines was undertaken. The effects of improved eddy diffusivity of heat modeling in the turbulence model was specifically investigated. A two-dimensional boundary STAN5, was selected and modified by incorporating several different turbulent Prandtl number models. Results indicated that slight effects were attributable to the modified turbulence model. Boundary layer character appeared to be much more significant.

Whitaker, Kevin W.↗

Boundary layer blockage in expansion tube nozzles

The results of a first order perfect gas correction for the effects of the boundary layer formation within expansion tubes with nozzles are presented. The analytical model developed to describe the boundary layer formation within the expansion tube and an expansion nozzle located at the end of the acceleration tube is based on the Karman integral equations. The results of this analytical model are compared with experimental data from an expansion diffuser. The model provides a useful tool for the preliminary design of nozzles for such facilities.

Sudnitsin, Olga↗

Vibroacoustic Characterization of a New Hybrid Wing-Body Fuselage Concept

A lighter, more robust airframe design is required to withstand the loading inherent to next generation non cylindrical commercial airliners. The Pultruded Rod Stitched Efficient Unitized Structure concept, a highly integrated composite design involving a stitched and co-cured substructure, has been developed to meet such requirements. While this structure has been shown to meet the demanding out-of-plane loading requirements of the flat-sided pressurized cabin design, there are concerns that the stiff co-cured details will result in relatively high acoustic radiation efficiencies at frequencies well below the thin skin acoustic coincidence frequency. To address this concern and establish a set of baseline vibroacoustic characteristics, a representative test panel was fabricated and a suite of tests were conducted that involved measurements of panel vibration and radiated sound power during point force and diffuse acoustic field excitations. Experimental results are shown and compared with Finite Element and Statistical Energy Analysis model predictions through the use of modal and energy correlation techniques among others. The behavior of the structure subject to turbulent boundary layer excitation is also numerically examined.

Allen, Albert R.↗

Updated Model of Radar Backscatter for Rough Lunar Craters

We reexamined our radar scattering model for young, rough craters [1] based on unpublished data from the 1980's [2]. Our model for scattering from the lunar surface is a mixing model consisting of varying amounts of diffuse and specular components as shown in Figure 1. The specular component, which consists of only opposite-sense circular (OC) echoes, results from the mirror-like surface and sub-surface layers that are smooth to a tenth of a radar wavelength for large (>10 wavelengths) areas oriented perpendicular to the radar's line-ofsight. The diffuse component, which has both OC and same sense (SC) circular echoes, is associated with either surface roughness (wavelength-sized rocks) or ice, and is assumed to be uniformly bright, with backscatter being proportional to the cosine of the incidence angle. Only diffuse scattering contributes to the SC echoes.

Moon↗

Dissecting Disorder: Defect-Driven Structural Complexity in Layered Li3InCl6 Solid Electrolyte

Halide solid electrolytes have emerged as promising candidates for solid-state batteries owing to their high oxidative stability and ionic conductivity. Among them, Li3InCl6 (LIC) has attracted significant attention. However, diffraction patterns of LIC synthesized via different methods exhibit distinct differences particularly at low-angle reflectionsindicative of underlying structural disorder. These variations are attributed to deviations from ideal crystallographic order, especially stacking faults, whose impact on structure and ion transport remains poorly understood. Here, we identify and quantify stacking faults in LIC samples prepared under different synthetic conditions. Using X-ray diffraction and time-of-flight neutron diffraction, we construct and refine stacking fault models that accurately reproduce the experimental diffraction features. LIC samples with higher degrees of stacking faults exhibit only negligible differences in ionic conductivities and activation energies. This indicates that stacking faults have a limited impact on altering the Li+ diffusion pathway along the c-axis, likely due to the high concentration of vacancies in the In layers, while Li+ diffusion remains nearly unchanged in the ab-plane. Our results account for the observed differences in diffraction patterns across samples and provide a quantitative assessment of faulting probabilities and stacking sequences. The insights gained from this study are expected to be broadly applicable to other layered halide solid electrolytes and contribute to a deeper understanding of the role of structural disorder in ion transport.

Liu, Jue [ORNL] (ORCID:000000024453910X)↗

Kinetic model describing self-limiting CO 2 diffusion in supported amine adsorbents

A reaction–diffusion shrinking core model describing the decay in diffusivity of supported amine sorbents upon CO 2 sorption under both simulated direct air capture and point source capture conditions is described. The decay in CO 2 diffusivity is associated with crosslinking in the aminopolymer samples and general pore blockage in the amino-silane derived samples, which occurs as CO 2 is adsorbed. The model is used to extract four kinetic parameters that govern the CO 2 uptake kinetics and working capacity: an apparent reaction rate constant, an initial effective diffusivity, and two dimensionless decay parameters. Ideally, an initially reaction limited system would allow for direct determination of the intrinsic reaction rate constant; however, sorption experiments suggest mass transfer resistances related to gas mixing, external boundary layers and intraparticle diffusion are present. Reaction rate constants are determined and agree well with theoretical values predicted with the Eyring equation parameterized using density functional theory energies from literature sources. The kinetic performance is expressed as the average effective diffusivity as a function of average conversion, which can be correlated to the dispersion of sorption sites on the support and the morphology of the active sorbent phase. Four supports are impregnated or grafted with amines, SBA-15, single-walled zeolite nanotubes (ZNT), Syloid SiO 2 , and γ-Al 2 O 3 . Due to its pore structure, γ-Al 2 O 3 supported amines can be modeled at the μm scale or at the nm scale, where the shell balance is on the μm-sized macroporous particle aggregate or on the nm-sized amine film on the surface of the Al 2 O 3 nanoparticles, which comprise the spherical particle aggregates. Faster diffusion rates are maintained under 400 ppm rather than 10% CO 2 due to a slower reaction rate giving a slower decay in diffusivity. In conclusion, this work provides a first principles kinetic analysis of CO 2 sorption where previous models are semi-empirical and use arbitrary kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of Scalar Filtered Density Function to Turbulent Flows Under Supercritical Condition

Abstract The scalar filtered density function (FDF) methodology is extended and employed for large eddy simulation (LES) of turbulent flows under supercritical condition. To describe real fluid behavior, the extended methodology incorporates the generalized heat and mass diffusion models along with real fluid thermodynamic relations which are derived using the cubic Peng–Robinson equation of state. These models are implemented within the stochastic differential equations comprising the scalar FDF transport. Simulations are conducted of a temporally developing mixing layer under supercritical condition and the results are assessed by comparing with data generated by direct numerical simulation (DNS) of the same layer. The consistency of the proposed FDF methodology is assessed. The LES-FDF predictions are shown to agree favorably with the DNS data and exhibit several key features pertaining to supercritical turbulent flows.

Energy & Fuels↗

The Aladdin experiment. I - Dynamics.

A coordinated rocket experiment was carried out on Nov. 20, 1970 at Eglin AFB, Fla. (30 deg N) to determine atmospheric layering and density distributions of ions and neutrals. The program measured vertical profiles between 70 and 150 km altitude of total neutrals, ions and electrons, individual species, temperature, density, diffusion coefficients, horizontal winds, and turbulent structure. A dynamic computer code model using these parameters was compared with the observed profiles. Wind fields were measured from seven chemical trails, separated up to 60 km horizontally and 600 sec in time. Kinetic temperatures were measured from fluorescence of chemically-released AlO, ranging from 440 to 680 K between 126 and 161 km. Densities derived from diffusion of the AlO ranged from 10 to 5 times 10 to the -12th power per cu cm between 126 and 139 km. A rocket-borne pitot probe showed wavelike density deviations from current standard atmosphere models, amounting to -25% at 80 and 110 km and to +25% at 100 and 125 km. The derived temperature profile from the pitot probe showed a double minimum at 74 and 102 km.

Rosenberg, N. W.↗

Lunar rock surfaces as detectors of solar processes

Lunar rock surfaces exposed at or just below the lunar surface are considered as detectors of the solar wind, solar flares and solar-derived magnetic fields through their interactions with galactic cosmic rays. The degradation of the solar detector capabilities of lunar surface rocks by meteoroid impact erosion, accreta deposition, loose dust, and sputtering, amorphous layer formation and accelerated diffusion due to solar particles and illumination is discussed, and it is noted that the complex interactions of factors affecting the outer micron of exposed surface material has so far prevented the development of a satisfactory model for a particle detector on the submicron scale. Methods for the determination of surface exposure ages based on the accumulation of light solar wind noble gases, Fe and Mg, impact craters, solar flare tracks, and cosmogenic Kr isotopes are examined, and the systematic variations in the ages determined by the various clocks are discussed. It is concluded that a means of obtaining satisfactory quantitative rate or flux data has not yet been established.

Hartung, J. B.↗

Effects of thermal-solutal convection on temperature and solutal fields under various gravitational orientations

Semiconductor crystals such as Hg(1-x)CD(x)Te grown by unidirectional solidification Bridgmann method have shown compositional segregations in both the axial and radial directions. Due to the wide separation between the liquidus and the solidus of its pseudobinary phase diagram, there is a diffusion layer of higher HgTe content built up in the melt near the melt-solid interface which gives a solute concentration gradient in the axial direction. The value of effective diffusion coefficient calculated from fitting of the data to 1D model varies with Hg(1-x)Cd(x)Te growth conditions. This indicates that the growth condition of the Hg(1-x)Cd(x)Te is not purely diffusion controlled. Because of the higher thermal conductivity in the melt than that in the crystal in the growth system, there is a thermal leakage through the fused silica crucible wall near the melt-solid interface. This gives a thermal gradient in the radial direction. Hart, and Thorpe, Hutt and Soulsby have shown that under such conditon a fluid will become convectively unstable as a result of different diffusitivities of temperature and solute. It is quite important to understand the effects of this thermosolute convection on the compositonal segregation in both axial and radial directions in the unidirectionally solidified crystals under various gravitational directions. To reach this goal, we start with a simplified problem to study the effects of thermal-solutal convection on the temperature and solutal fields under various gravitional orientations. We begin by reviewing model governing equations.

Wang, Jai-Ching↗

The Influence of Shallow Cloud Populations on Transitions to Deep Convection in the Amazon

Abstract In this study, a pair of convection-permitting (2-km grid spacing), month-long, wet-season Weather Research and Forecasting (WRF) Model simulations with and without the eddy-diffusivity mass-flux (EDMF) scheme are performed for a portion of the Green Ocean Amazon (GoAmazon) 2014/15 field campaign period. EDMF produces an ensemble of subgrid-scale convective plumes that evolve in response to the boundary layer meteorological conditions and can develop into shallow clouds. The objective of this study is to determine how different treatments of shallow cumulus clouds (i.e., with and without EDMF) impact the total cloud population and precipitation across the Amazonian rain forest, with emphasis on impacts on the likelihood of shallow-to-deep convection transitions. Results indicate that the large-scale synoptic conditions in the EDMF and control simulations are nearly identical; however, on the local scale their rainfall patterns diverge drastically and the biases decrease in EDMF. The EDMF scheme significantly increases the frequency of shallow clouds, but the frequencies of deep clouds are similar between the simulations. Deep convective clouds are tracked using a cloud-tracking algorithm to examine the impact of shallow cumulus on the surrounding ambient environment where deep convective clouds initiate. Results suggest that a rapid increase of low-level cloudiness acts to cool and moisten the low to midtroposphere during the day, favoring the transition to deep convection.

54 ENVIRONMENTAL SCIENCES↗

Predicting Thermal Response in a Li-ion Cell on a UAV Fight Profile

As the energy storage devices continue to "pack" more energy in a small space, any damage, battery component failure, manufacturing defect, or electrically abusing the battery can lead to catastrophic thermal runaway events. A catastrophic thermal event in a cell leads to high temperature, in some instances spewing of battery materials due to gas development from side reactions initiated due to high internal temperatures. Also, a thermal runaway event can propagate from a single "failed" cell to the pack in a battery pack, leading to a more significant event. Mitigating a thermal runaway event is important in the commercial and automotive sectors. However, preventing such events in an electric aircraft (or air taxis) is paramount due to the lack of alternatives in the event of a failure. Battery prognostics algorithms allow the prediction of state-of-charge (SOC) and end-of-life (EOL) of a Li-ion battery in a UAV (unmanned air vehicle) [1]. For this presentation, we will extend this two-level battery predictive algorithm to predict SOC, EOL, and estimated maximum temperature during a simulated flight. The model is extended by integrating a lumped physics-driven thermal model for high current densities [2]. The parameters used to control SOC and EOL are maximum storable charge, time constant for Li-ion diffusivity in the carbon particles, and internal cell resistance. Cycling leads to an increase in the heat generated by an aged Li-ion cell with a LiyCoO2 (LCO) cathode and a LixC6 (MCMB) anode. The aging of a cell leads to increase in SEI layer thickness, the diffusion time for the lithium ions inside the electrodes, and the local reaction rates, in addition to the thermodynamic abuse caused by fixed cycling voltages controlled by a Battery Management System. As the battery ages, the cell resistance increases, while the onset temperature of the thermal runaway decreases (depends on the cell chemistry and cell abuse history). Any large deviation of the cell temperature from the estimated (expected) value can identify a faulty cell. Since SEI decomposition has the lowest onset temperature in the series of reactions leading to thermal runaway, the model considers the self-heating rate of the SEI decomposition as onset temperature (similar to Ref. [3]). The parameters in the Arrhenius equation for the SEI heating rate depend on the number of cycles, the cell's operating temperature, and the cell's abuse history [4,5]. Coupling the electrochemical, thermal, and aging model allow the prognostic algorithm to estimate a typical cell voltage and temperature as a function of age (cycling and calendar), whose departure from measured values from the BMS is used to identify a safety event. In addition, we will present the results from two simulated flight scenarios for a UAV: typical and extreme, since the power requirements vary significantly during take-off, landing, and changing altitudes, while the power requirements remain low during the cruise. For this presentation, the power requirement for a battery pack in a UAV is scaled to a single cell. This cell is cycled through a simulated profile, and the data is collected and used to predict a safety event.

Li-ion↗

Effective Lanthanide Diffusivity through U-Zr Metallic Fuel

Fuel-cladding chemical interaction (FCCI) is one of the main concerns for the performance of U-Zr metallic fuels. Although FCCI results in complex phase transformations and morphological changes in both the fuel and cladding sides of the interface, the formation of a brittle layer in the cladding side of the interface (sometimes referred to as wastage) has one of the most significant impacts on the cladding mechanical integrity. This brittle layer is associated with the formation of intermetallic compounds between the cladding constituents Fe, Cr and the lanthanide fission product species. The formation of this cladding wastage layer has been the focus of recent efforts to develop a mechanistic modeling framework, including production of lanthanides in the fuel, transport through the fuel to the fuel-cladding interface, and phase transformation to form intermetallic phases. To calculate the rate of transport of lanthanides through the fuel, a multi-scale computational approach has been used. Atomistic calculations have been performed to determine the diffusivities of Nd, the most prevalent lanthanide species, through the solid fuel matrix and along pore surfaces. These diffusivities have been used as input parameters for a mesoscale model to determine an effective diffusion coefficient that accounts for the formation of porosity, its interconnection, and infiltration with bond sodium from the fuel-cladding gap. The effective diffusivity has been used in engineering-scale simulations using the BISON fuel performance code, and BISON simulations have been compared to representative validation cases from the EBR-II reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Conserving asphalt resources: Rethinking rejuvenator performance evaluation through peptizing efficiency

Timely rejuvenation and restoration of asphalt are essential conservation practices that help preserve and extend the service life of roads, bridges, driveways, and parking lots. The performance of asphalt rejuvenators is often assessed based on their diffusion rates and softening power, yet these metrics alone fail to capture true rejuvenation potential. Here, this study integrates density functional theory (DFT) modeling with experimental analysis to show that rejuvenation effectiveness is primarily governed by molecular interactions with oxidized asphaltene nanoaggregates. DFT results revealed that amide- and unsaturated-chain compounds, such as hexadecanamide, oleic acid, and 9,17-octadecadienal, act cooperatively to disrupt π–π stacking and exfoliate asphaltene layers, reducing binding strength and enhancing dispersion. Unlike bulky, rigid molecules that remain trapped, these components remain mobile and repeatedly interact with multiple aggregation sites. Experimental validation using rheometry and FTIR confirmed that such molecularly compatible rejuvenators restore the binder flexibility and polydispersity, even when diffusion is relatively slow. Building on this mechanistic foundation, six rejuvenators (A2, A5, A7, A8, A9, and A10) were evaluated using a three-metric performance framework encompassing cracking resistance (Glover–Rowe parameter), UV stability, and surface hydrophobicity. Among the six rejuvenators evaluated, A9 exhibited the highest overall performance, reducing the Glover–Rowe cracking parameter by 85% (from 351 kPa to 53 kPa), demonstrating the greatest resistance to UV-induced aging with a stability index of 4.17 h·kPa⁻¹, and increasing surface hydrophobicity to a contact angle of 103.6°. Its superior performance is primarily attributed to its amide- and unsaturated-chain components, which act cooperatively to disrupt π–π stacking interactions and exfoliate asphaltene layers, thereby promoting molecular deagglomeration and enhancing long-term durability. These results shift the criteria for selecting rejuvenators: effective candidates must pair the electronic capability to unlock aged asphaltenes with sufficient structural stability to resist secondary aging and restore hydrophobicity. Restoring hydrophobicity is critical, as aging reduces the asphalt’s water repellency and increases water diffusion, which in turn accelerates moisture-related damage; consequently, a high-performing rejuvenator must effectively restore the binder’s hydrophobic characteristic. Collectively, these findings provide a framework for the rational design of next-generation of bio-based rejuvenators that enhance pavement longevity and promote long-term sustainability.

Aging↗

Diffusion characteristics of water molecules in a lamellar structure formed by triblock copolymers

The distribution and diffusion of water molecules are playing important roles in determining self-assembly and transport properties of polymeric systems. Small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulation have been applied to understand the distribution of water molecules and their dynamics in the lamellar membrane formed by Pluronic L62 block copolymers. Penetration of water molecules into the polyethylene oxide (PEO) layers of the membranes has been estimated using scattering length density (SLD) profiles obtained from SANS measurements, which agree well with the molecular distribution observed from MD simulations. The water diffusion coefficient at different regions of the lamellar membrane was further investigated using MD simulation. The diffusion characteristic shows a transition from normal to anomalous diffusion as the position of the water molecule changes from the bulk to PEO and to the polypropylene oxide (PPO) layer. Here we find that water molecules within the PEO or PPO layers follow subdiffusive dynamics, which can be interpreted by the model of fractional Brownian motion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large-scale neutral composition gravity waves in the thermosphere observed by ESRO 4

Neutral composition waves with a wavelength of about 5000 km and a wave period of about 2.5 h were observed by ESRO 4 in the altitude region of 250 km. The amplitudes are of the order of 25% for Ar, 15% for N2, and roughly 10% for He and O at 25 deg geographic latitude. The Ar and N2 waves are almost in phase, whereas He is in antiphase, and O is in between. The wave amplitudes are seen to decrease toward lower latitudes, suggesting that the composition waves are launched by auroral sources. Simultaneous ground-based ionosonde measurements of the F2 layer critical frequency at middle and low latitudes show a wave period consistent with the satellite observations. From the relation between wavelength and wave period these waves are identified as gravity waves. The theoretical investigation with a multicomponent model shows that diffusion plays a major role in explaining the observed phase and amplitude relations between atmospheric constituents.

Trinks, H.↗

Diffusive-convective vapor transport across horizontal and inclined rectangular enclosures

The enhancement of vapor transport across horizontal and inclined rectangular (two-dimensional) enclosures by expansive convection is studied numerically for a range in Grashof number that extends up to boundary layer flow. Comparison is made with predictions of the simplifying model and resulting analytical treatment of Klosse and Ullersma (1973) for various aspect ratios of the enclosure. The influence of varying Schmidt and Prandtl numbers is investigated. Solutions for interfacial (growth) flux and temperature distributions are given, showing practically important nonuniformities.

Markham, B. L.↗

Chemical stratification in white dwarf atmospheres and envelopes

Theoretical arguments supporting a new mechanism maintaining a homogeneously mixed composition in white dwarf atmospheres with traces of helium are presented. Diffusion time scales, meridional circulation, mass loss, accretion of interstellar matter, convection, and radiative levitation are discussed. Theoretically, layered envelopes, with hydrogen on top of helium and an abundance profile in the transition layer determined by diffusion equilibrium, are expected. In cases with observed helium and hydrogen in the atmosphere this means that the total hydrogen mass must be very small. The empirical evidence for such atmospheres are assessed, using a new grid of model atmospheres with stratified element abundances and applying it to typical mixed abundance cases at the hot end of the white dwarf temperature sequence.

Koester, D.↗