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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Investigation on phase transformation mechanism of zeolite NaY under alkaline hydrothermal conditions

The phase transformation mechanism of zeolite NaY under alkaline hydrothermal conditions was investigated by UV Raman spectroscopy, X-ray diffraction, X-ray fluorescence and scanning electron microscopy techniques. The results revealed that the products and transformation rate are dependent on the alkalinities. All of the starting and resulting zeolites are constructed with the 4-ring and 6-ring secondary building units. The products have lower Si/Al ratio, higher framework density and smaller pore size, which are more stable under alkaline hydrothermal condition. During the phase transformation the fragments of faujasite are formed, then the fragments combine to form different zeolites depending on basicity. Zeolite NaY crystals are consumed as the reservoir for the transformation products during the recrystallization process. For the first time, a 4-membered ring intermediate was found at the early stage of the recrystallization process. A cooperative interaction of liquid and solid phases is required for inducing the phase transformation. - Graphical Abstract: Phase transformation of NaY zeolite under alkaline hydrothermal condition is achieved by the cooperative interaction of the liquid and solid phases. A 4-membered ring species is an intermediate for recrystallization process. Highlights: • The products and transformation rate are dependent on the alkalinity. • A 4-membered ring species is an intermediate for recrystallization process. • A cooperative interaction of liquid and solid phases is required.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Variation improvement of mechanical properties of Mg-9Al-1Zn alloy with melt conditioned high pressure die casting

Highlights: • The variation improvement of mechanical properties of AZ91D was achieved via application of high shear melt conditioning. • The elongation variation of AZ91D with MC-HPDC has a significant reduction from 31.2% for tradition HPDC to 19.7%. • High shear melt conditioning can result in grain refinement of primary α-Mg formed in both shot sleeve and die cavity. - Abstract: Melt conditioning treatment via high shearing on Mg-9Al-1Zn melt was employed to disperse the oxide inclusions, and to harness the well-dispersed particles as the effective heterogeneous nucleation sites for primary α-Mg grains during solidification in high pressure die casting. To reveal the mechanism of property improvement, Prefil pressure filtration cleanliness analyzer, field-emission scanning electron microscopy with energy dispersive X-ray spectroscopy and high-resolution transmission electron microscopy were employed in present study. The experimental results showed that the application of high shearing not only improved elongation, ultimate tensile strength and yield strength simultaneously, but also reduced the variation of the mechanical properties of Mg-9Al-1Zn alloy. The improvement was ascribed to the refinement of the primary α-Mg grains formed in both shot sleeve and die cavity, and to the reduction of porosity as well as refinement of Mg{sub 17}Al{sub 12} phases.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Influence of sintering conditions on the microstructure and optical properties of Eu: CaF{sub 2} transparent ceramic

Highlights: • Eu: CaF2 ceramics sintering at different conditions were fabricated by HP method. • The results show that the temperatures have great effect on the microstructure. • The ceramic sintered at 600 °C/30 MPa has high transmittance and pore-free structure. • The diffusion and densification process mainly occurs between 350 °C and 500 °C. • The optical losses in ceramic were caused by structure defects and polishing damage. - Abstract: Nanopowders of the 5 at.% Eu doped CaF{sub 2} have been synthesized by co-precipitated method. X-ray diffraction (XRD) indicated that the samples corresponds to the cubic CaF{sub 2} phase and scanning electron microscopy (SEM) showed that the morphology of nanopowders were approximately spherical. The Eu: CaF{sub 2} transparent ceramics were fabricated by hot-pressing (HP) method at different P-T conditions in a vacuum environment. The fracture surface, the relative density, average grain size and shrinkage displacements were also studied to analysis the influence of sintering conditions on Eu: CaF{sub 2} ceramic. In comparison with other samples, the proper sintering temperature and pressure was 600 °C/30 MPa. The transmittance of ceramic was up to 79.7% and 88.85% at the wavelength of 760 nm and 2400 nm. Furthermore, the emission spectra of Eu: CaF{sub 2} transparent ceramics under 393.5 nm excitation was also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enhancing the mass resolving power of FRIB’s proposed high-voltage MR-ToF mass separator and spectrometer: Addressing non-ideal conditions

Multi-reflection time-of-flight mass separators and spectrometers (MR-ToF MSs) are indispensable tools at radioactive ion beam (RIB) facilities. These electrostatic ion beam traps act as highly selective mass separators and high-precision mass spectrometers for rare and exotic nuclei. When well-tuned and designed to minimize higher-order flight-time aberrations, state-of-the-art MR-ToF MSs approach, and slightly exceed, mass resolving powers of m/Δm = 10 6 . Achieving m/Δm ≥ 3 ⋅ 10 6 would provide the ability to resolve > 90 % of all known isomeric states with half-lives above 10 ms. However, the ability to mass separate in all practical setups is limited by non-ideal conditions which place such resolving powers out of reach. Here, to this end, we present a simulated analysis of these conditions in the newly proposed high-voltage MR-ToF MS for the Facility for Rare Isotope Beams (FRIB). It is expected to store ions at 30 keV beam energy and increase ion throughput by two orders of magnitude compared to current devices. Existing efforts to mitigate the effects of non-ideal conditions employed for current MR-ToF devices storing ions at < 3 keV beam energy will already enable mass resolving powers approaching 10 6 for FRIB’s high-voltage MR-ToF device. Simulations of newly proposed mitigation strategies show that even mass resolving powers approaching 10 7 might become feasible.

Electrostatic ion beam traps↗
DOE OSTI2025

Addressing the impact of Lyman opacity in inference of divertor plasma conditions with 2D spectroscopic camera analysis of Balmer emission during detachment in JET L-mode plasmas

The impact of re-absorption of the deuterium Lyman series emission was addressed in inferring divertor plasma conditions from Balmer series emission with 2D spectroscopic camera analysis during detachment in JET L-mode plasmas. The previously presented methodology was amended by modifying the standard photon emission coefficients and ionization and recombination rate coefficients of the ADAS database to consider the re-population of excited states due to Lyman opacity. This resulted in the estimate for the atomic density near the outer strike point to decrease by up to 75% at the onset of detachment at strike point temperatures of T e,osp ≈ 1.0–3.0 eV with respect to the strongly overestimated previously obtained values, whereas the estimated electron temperature and density were unaffected by the opacity correction within the scatter of the data and only a moderate reduction by up to 20% was observed in the estimate for the molecularly induced fraction of the Balmer emission. No noticeable change was seen in the ionization rate, calculated from the estimated outer strike point conditions, due to the decrease in the atomic density estimate compensating for the increased values of the opacity-corrected ADAS rate coefficients for ionization. In detached conditions at T e,osp ≈ 0.5–1.0 eV, 25%–35% lower recombination rates were provided by the opacity-corrected model. The observed effects on the experimental analysis were supported by a corresponding synthetic analysis based on EDGE2D-EIRENE simulations.

Balmer emission↗
DOE OSTI2020

Experimental study for critical heat flux in 2x2 rod bundles at high pressure conditions

Critical heat flux (CHF) phenomena has been a topic of study for over fifty years yet remains a serious concern across industries and especially in water-cooled nuclear reactor design. CHF data in the high-pressure range is limited, and the effects of bundle geometry and non-uniform heat flux profile are challenging to quantify. In this study, CHF experiments were performed in upward flowing water in a 2 × 2 rod bundle with a cosine profile heat flux. Data were collected between 16.5 and 18 MPa at two mass flux conditions with three inlet subcooling conditions. Under these conditions, average CHF was shown to decrease with increasing pressure. However, pressure had less of an effect than decreasing the inlet subcooling or the mass flux, both of which reduce the CHF value considerably. Of interest, correlations that have been developed for lower pressure continued to predict CHF occurrences with moderate accuracy outside their ranges of validity. Nearly all predicted values were within 20% of experimental values.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Wrought FeCrAl alloy (C26M) cladding behavior and burst under simulated loss-of-coolant accident conditions

Cladding burst experiments for FeCrAl cladding were performed in the Severe Accident Test Station facility at Oak Ridge National Laboratory. These experiments were simulated using the BISON fuel performance code to better understand the cladding plastic behavior and failure under simulated loss-of-coolant accident conditions. 3D cladding surface boundary conditions were generated using composite axial and azimuthal profiles from experiment thermocouple data. To improve the simulation analysis capabilities in BISON for cladding burst behavior, new thermal creep, plasticity, and failure stress models specific to C26M, a wrought FeCrAl alloy, were developed and implemented. Initial cladding burst results indicated a general underprediction in the failure temperature of the six cladding burst simulations versus the observed failure temperatures. Close investigation of the experiment timing versus the underlying tensile test data revealed that, compared with the tensile specimens, the cladding tubes did not experience the same long holding time at high temperatures. New tensile tests were performed at high temperatures using a temperature ramp similar to the simulated loss-of-coolant accident experiments. These new tensile curves showed an approximately 80% increase in the ultimate tensile strength of the C26M alloy, indicating that a holding time of 10 min at 700 °C and 800 °C allows annealing to change the material microstructure. Using the updated tensile properties, the burst temperatures and stresses from the simulations showed remarkable agreement with the experimental results. This study was then extended by varying the initial pressure to highlight the burst temperature difference between standard Zircaloy-4 and C26M cladding under equivalent conditions. The results show that C26M has a burst temperature that is approximately 70–130 K greater than that of Zircaloy-4. In conclusion, these modeling predictions can be further improved by collecting high-temperature tensile data for C26M beyond the temperature ranges used in this work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

3D probabilistic fracture mechanics / computational fluid dynamics simulation of a reactor pressure vessel under transient conditions

Reactor pressure vessels (RPVs) are safety-critical light-water-reactor components that, under irradiation, experience long-term material degradation in the form of embrittlement. This can increase their susceptibility to fracture under thermal-shock conditions, which could occur during off-normal transients such as loss-of-coolant accidents (LOCAs). During a LOCA, the most severe conditions for the RPV occur when emergency core cooling water is injected through the cold legs into the water-and-steam-filled RPV. The rapid cooling of the downcomer and internal RPV surface causes decreased temperature and elevated thermally driven tensile stresses in the RPV wall. This, combined with long-term material embrittlement, may cause fracture initiation at pre-existing flaws, challenging the integrity of the RPV. Assessing RPV integrity during transients with a large spatial variation in the coolant temperature requires a modeling approach that considers the effects of spatially varying coolant temperature on the fracture probability of a population of flaws distributed throughout the RPV, accounting for spatially varying embrittlement. Here, the present study addresses this need by demonstrating first-of-its-kind coupling of a high-fidelity 3D computational fluid dynamics code with 3D probabilistic fracture mechanics This was accomplished using representative models of a pressurized-water reactor subjected to small- and medium-break LOCA conditions, both of which can result in large spatial temperature variations. While the observed impact of accounting for 3D effects was minimal under the small-break LOCA this study indicates a significant increase in the probability of fracture initiation under the medium-break LOCA when 3D effects are considered, relative to a spatially uniform cooling scenario.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Maize, sorghum, and pearl millet have highly contrasting species strategies to adapt to water stress and climate change-like conditions

This study compared maize, sorghum and pearl-millet, leading C 4 cereals, for the transpiration rate (TR) response to increasing atmospheric and soil water stress. The TR response to transiently increasing VPD (0.9–4.1kPa) and the transpiration and leaf area expansion response to progressive soil drying were measured in controlled conditions at early vegetative stage in 10–16 genotypes of each species grown in moderate or high vapor pressure deficit (VPD) conditions. Maize grown under moderate VPD conditions restricted TR under high VPD, but not sorghum and pearl millet. By contrast, when grown under high VPD, all species increased TR upon increasing VPD, suggesting a loss of TR responsiveness. Sorghum and pearl-millet grown under high VPD reduced leaf area, but not maize. Upon progressive soil drying, maize reduced transpiration at higher soil moisture than sorghum and pearl millet, especially under high VPD, and leaf area expansion declined at similar or lower soil moisture than transpiration in maize and sorghum. It is concluded that maize conserves water by restricting transpiration upon increasing VPD and under higher soil moisture than sorghum and millet, giving maize significantly higher TE, whereas sorghum and pearl millet rely mostly on reduced leaf area and somewhat on transpiration restriction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Frictional Contacts Between Individual Woody Biomass Particles under Wet and Dry Conditions

Friction between wood particles can be a critical property when designing processing equipment for creating cellulosic biofuels and similar natural products. Also, as wood processing is likely to occur year-round, understanding the friction between wet as well as dry wood particles can help design and model equipment, such as screw feeders. Here, a tribo-rheometry method was developed using a commercial rheometer that measured the torque required to rotate two contacting millimeter-scale wood chip particles. First, a range of normal forces were used to find the limits of the experimental method. Torque values were measured for seven pairs of wood chip particles at 1 N normal force under both dry and wet conditions, at both ambient conditions and in a humidity-controlled chamber. The torque required to rotate the wet particles was consistently higher than that of the dry particles, although differences were not quite statistically significant when measurements were performed at ambient conditions. Using humidity control resulted in torque values for wet particles of 1900 uNm and 900 uNm for dry particles. Finally, the friction coefficient was calculated as 0.23 for wet particles and 0.11 for dry particles when humidity was controlled. These frictions coefficients agreed with values for wood reported in the literature. Overall, controlling humidity is strongly recommended to quantify the range of friction for particles that uptake water, including granular systems from biomass to food to powders.

biomass↗
DOE OSTI2020

Experimental and modeling study of C2–C4 alcohol autoignition at intermediate temperature conditions

C2–C4 alcohols are advantageous blendstocks identified by many research groups, including the U.S. Department of Energy Co-Optima Initiative, towards enabling efficient, boosted Spark-Ignition (SI) engines. Their use in advanced engine applications requires a comprehensive understanding of their intermediate-temperature autoignition behavior. This work reports an experimental and modeling study covering their fundamental autoignition characteristics in a twin-piston rapid compression machine at pressures of 20 and 40 bar, intermediate temperatures from 750 to 980 K, and two fuel loading conditions representative of boosted SI engines. Direct comparison between these alcohols is made, where the order of reactivity is established across different thermodynamic and fuel loading conditions. Changes in preliminary exothermicity (or intermediate-temperature heat release) displayed in single-stage autoignition across different alcohols and conditions are also quantified. This provides insight into fuel-to-fuel differences, and how these could affect advanced combustion concepts such as spark-assisted compression ignition. Kinetic models are used to simulate the experiments, and reasonable agreement is obtained. Furthermore, the sensitivity analysis results demonstrate the importance of accurately capturing the autoignition kinetics, particularly H-abstraction reactions on the parent fuels by OH and HO 2 , and the branching ratio associated with these.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Is satellite Sun-Induced Chlorophyll Fluorescence more indicative than vegetation indices under drought condition?

Droughts represent one of the most severe abiotic stress factors that could result in great crop yield loss. Numerous vegetation indices have been proposed for monitoring the vegetation condition under stress and assessing drought impacts on yield loss. However, the understanding and comparison between traditional vegetation indices (VIs) and the newly emerging satellite Sun-Induced Chlorophyll Fluorescence (SIF) for monitoring vegetation condition is still limited especially under drought stress and at multiple spatial scales. In this study, the potential of satellite observation SIF for monitoring corn response to drought was investigated based on the 2012 drought in the US Corn Belt. The standardized precipitation evapotranspiration index (SPEI) was used here to quantify drought. We found that all SPEI were above –1, except for July (–1.27), August (–1.39) and September (–1.14) in 2012, indicating the severity of this drought. We examined the relationship between satellite measurements of SIF, SIF yield , VIs (e.g., NDVI and EVI) and SPEI. Results indicated that SIF yield was sensitive to drought and SIF captured the stress more accurately both at the regional and state scales for the US Corn Belt. Quantitatively, SIF yield had a high correlation with SPEI (r = 0.987, p < 0.05) over the entire Corn Belt, and it indicated losses in response to drought approximately one month earlier than SIF/NDVI/EVI. Furthermore, our results demonstrated that SIF could be trusted as an effective indicator to study the relationship between GPP (R 2 ≥ 0.8664, p < 0.01) under drought conditions across the Corn Belt. Finally, this study highlighted the advantage of using satellite SIF observations to monitor the drought stress on crop growth especially GPP at regional scale.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Optimal conditions for efficient flow-electrode capacitive deionization

One of the current barriers to achieving fast and stable performance for flow-electrode capacitive deionization (FCDI) is determining optimal operating parameters. To date, however, no consensus has been reached for universal conditions for FCDI. Through experimental and modeling approaches in this study, we systematically evaluated the influence of applied potential (V = 1.2–2.4 V) and electrolyte concentration (C0 = 0.05–0.5 M) on the FCDI and electrodialysis (ED) desalination processes. Evaluation indicators include the concentration decrease in the desalinated solution, salt removal rates, pH fluctuations, charge efficiency, and energy consumption. Results demonstrated that the dynamic curves of concentration decrease at 2.0 V nearly overlapped with the response at 1.6 V at certain electrolyte concentrations, while the salt removal rates at 0.2 M salt concentration were the best among all concentrations tested at a range of applied potential. Therefore, it was thus concluded that the optimum conditions for FCDI operation are 1.6 V applied potential and 0.2 M initial salt concentration, under which faradaic reactions are not being triggered, and concentration polarization does not significantly affect ion transfer. Furthermore, a comparative study between FCDI and ED indicated that ED has a different dependence on the electrolyte concentration and applied potential, in which the desalination can be linearly enhanced with increasing potential but greatly limited at high concentrations. Due to the presence of carbon particles in FCDI, the enhanced charge/ion transfer is probably the main reason for the different desalination performance of FCDI and ED. Overall, the optimal operating parameters obtained in this work could be used as basic test conditions for further development of new carbon-based materials for FCDI.

42 ENGINEERING↗
DOE OSTI2020

Antecedent conditions determine the biogeochemical response of coastal soils to seawater exposure

Coastal landscapes are increasingly exposed to seawater due to sea level rise and extreme weather events. The biogeochemical responses of these vulnerable ecosystems are poorly understood, limiting our ability to predict how their role in local and global biogeochemical cycles will shift under future conditions. Here we evaluate how antecedent conditions influence the biogeochemical response of soil to seawater inundation events based on a 42-day laboratory incubation experiment with soils collected from a natural salinity gradient across a coastal floodplain. We quantified influences of seawater inundation on intact soil cores through high-frequency carbon dioxide (CO 2 ) and methane (CH 4 ) gas fluxes measurements as well as ultrahigh resolution characterization of organic matter chemistry and metabolites. Mean CO 2 and CH 4 fluxes were higher after inundation compared to control cores for soils that had low in situ salinity. Soils with low in situ salinity also exhibited significant shifts in organic matter profiles after inundation, with surficial soils (0-7.5 cm) becoming more enriched in phenolic compounds, compared to deeper soils (7.5-15 cm). The number of biochemical transformations inferred from mass spectrometry increased significantly after inundation for soils with low in situ salinity, and a trend of decreasing thermodynamic favorability with increasing salinity was observed, suggesting an increase in microbial activity following inundation. Our results suggest that seawater inundation of low-salinity terrestrial environments can lead to increased microbial activity, preferential depletion of more thermodynamically favorable compounds, and increased soil carbon release. Finally, we conclude that the biogeochemical impacts of future seawater exposure will be modulated by antecedent conditions associated with landscape position within coastal watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Wear Performance of incoloy 800HT and inconel 617 in various surface conditions for high-temperature gas-cooled reactor components

Incoloy™ 800HT and Inconel™ 617 are primary candidate structural materials for high-temperature gas-cooled reactors (HTGRs). Impurities (e.g., H 2 O, CH 4 ) in the coolant induce corrosion reactions that affect tribological behavior. We investigate the high-temperature tribological performance of the alloys under surface conditions including: conditioned in H 2 O-containing helium at elevated temperatures, hardened via the carbon-diffusion Kolsterising® treatment, and conditioned after hardening. Initial friction coefficients and volume removed serve as metrics for wear performance. In this work, we find that wear mechanisms including scuffing, glaze-oxide formation, and oxide-layer wear and break-through are governed by surface hardness, chemistry, and applied load. The formation of a glaze-oxide layer is achieved with an oxide of sufficient mechanical integrity if the oxide-substrate interface is strong and the load is low.

42 ENGINEERING↗
DOE OSTI2011

Human STEAP3 maintains tumor growth under hypoferric condition

Iron is essential in cellular proliferation and survival based on its crucial roles in DNA and ATP synthesis. Tumor cells proliferate rapidly even in patients with low serum iron, although their actual mechanisms are not well known. To elucidate molecular mechanisms of efficient tumor progression under the hypoferric condition, we studied the roles of six-transmembrane epithelial antigen of the prostate family member 3 (STEAP3), which was reported to facilitate iron uptake. Using Raji cells with low STEAP3 mRNA expression, human STEAP3-overexpressing cells were established. The impact of STEAP3 expression was analyzed about the amount of iron storage, the survival under hypoferric conditions in vitro and the growth of tumor in vivo. STEAP3 overexpression increased ferritin, an indicator of iron storage, in STEAP3-overexpressing Raji cells. STEAP3 gave Raji cells the resistance to iron deprivation-induced apoptosis. These STEAP3-overexpressing Raji cells preserved efficient growth even in hypoferric mice, while parental Raji cells grew less rapidly. In addition, iron deficiency enhanced STEAP3 mRNA expression in tumor cells. Furthermore, human colorectal cancer tissues exhibited more STEAP3 mRNA expression and iron storage compared with normal colon mucosa. These findings indicate that STEAP3 maintains iron storage in human malignant cells and tumor proliferation under the hypoferric condition. -- Highlights: {yields} STEAP3 expression results in increment of stored intracellular iron. {yields} Iron deprivation induces expression of STEAP3. {yields} Colorectal cancer expresses STEAP3 highly and stores iron much. {yields} STEAP3 expressing tumors preserves growth even in mice being hypoferremia.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Establishment and characterization of a novel conditionally immortalized human parietal epithelial cell line

Highlights: • A novel conditionally immortalized human parietal epithelial cell (ciPEC) line was created. • ciPECs were isolated out of fresh human kidney tissue from an infant. • ciPECs show specific PEC characteristics. • ciPECs show no or little podocyte and glomerular endothelial cell marker expression. • ciPECs can be activated by IL-1β treatment. Parietal epithelial cells (PECs) are epithelial cells in the kidney, surrounding Bowman's space. When activated, PECs increase in cell volume, proliferate, migrate to the glomerular tuft and excrete extracellular matrix. Activated PECs are crucially involved in the formation of sclerotic lesions, seen in focal segmental glomerulosclerosis (FSGS). In FSGS, a number of glomeruli show segmental sclerotic lesions. Further disease progression will lead to increasing number of involved glomeruli and gradual destruction of the affected glomeruli. Although the involvement of PECs in FSGS has been acknowledged, little is known about the molecular processes driving PEC activation. To get more insights in this process, accurate in vivo and in vitro models are needed. Here, we describe the development and characterization of a novel conditionally immortalized human PEC (ciPEC) line. We demonstrated that ciPECs are differentiated when grown under growth-restrictive conditions and express important PEC-specific markers, while lacking podocyte and endothelial markers. In addition, ciPECs showed PEC-like morphology and responded to IL-1β treatment. We therefore conclude that we have successfully generated a novel PEC line, which can be used for future studies on the role of PECs in FSGS.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Turbulent shear-layer mixing: initial conditions, and direct-numerical and large-eddy simulations

Aspects of turbulent shear-layer mixing are investigated over a range of shear-layer Reynolds numbers, $Re_{\unicode[STIX]{x1D6FF}}=\unicode[STIX]{x0394}U\unicode[STIX]{x1D6FF}/\unicode[STIX]{x1D708}$ , based on the shear-layer free-stream velocity difference, $\unicode[STIX]{x0394}U$ , and mixing-zone thickness, $\unicode[STIX]{x1D6FF}$ , to probe the role of initial conditions in mixing stages and the evolution of the scalar-field probability density function (p.d.f.) and variance. Scalar transport is calculated for unity Schmidt numbers, approximating gas-phase diffusion. The study is based on direct-numerical simulation (DNS) and large-eddy simulation (LES), comparing different subgrid-scale (SGS) models for incompressible, uniform-density, temporally evolving forced shear-layer flows. Moderate-Reynolds-number DNS results help assess and validate LES SGS models in terms of scalar-spectrum and mixing estimates, as well as other metrics, to $Re_{\unicode[STIX]{x1D6FF}}\lesssim 3.3\times 10^{4}$ . High-Reynolds-number LES investigations to $Re_{\unicode[STIX]{x1D6FF}}\lesssim 5\times 10^{5}$ help identify flow parameters and conditions that influence the evolution of scalar variance and p.d.f., e.g. marching versus non-marching. Initial conditions that generate shear flows with different mixing behaviour elucidate flow characteristics in each flow regime and identify elements that induce p.d.f. transition and scalar-variance behaviour. P.d.f. transition is found to be largely insensitive to local flow parameters, such as $Re_{\unicode[STIX]{x1D6FF}}$ , or a previously proposed vortex-pairing parameter based on downstream distance, or other equivalent criteria. The present study also allows a quantitative comparison of LES SGS models in moderate- and high- $Re_{\unicode[STIX]{x1D6FF}}$ forced shear-layer flows.

Mechanics↗