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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Numerical Mixing Suppresses Submesoscale Baroclinic Instabilities Over Sloping Bathymetry

Abstract The impacts of spurious numerical salinity mixing on the larger‐scale flow and tracer fields are characterized using idealized simulations. The idealized model is motivated by realistic simulations of the Texas‐Louisiana shelf and features oscillatory near‐inertial wind forcing. can exceed the physical mixing from the turbulence closure in frontal zones and within the mixed layer. This suggests that simulated mixing processes in frontal zones are driven largely by . Near‐inertial alongshore wind stress amplitude is varied to identify a base case that maximizes the ratio of to in simulations with no prescribed horizontal mixing. We then test the sensitivity of the base case with three tracer advection schemes (MPDATA, U3HC4, and HSIMT) and conduct ensemble runs with perturbed bathymetry. Instability growth is evaluated using the volume‐integrated eddy kinetic energy and available potential energy . While all schemes have similar total mixing, the HSIMT simulations have over double the volume‐integrated and 20% less relative to other schemes, which suppresses the release of and reduces the by roughly 25%. This results in reduced isohaline variability and steeper isopycnals, evidence that enhanced suppresses instability growth. Differences in and between the MPDATA and U3HC4 simulations are marginal. However, the U3HC4 simulations have 25% more . Experiments with variable horizontal viscosity and diffusivity coefficients show that small amounts of prescribed horizontal mixing improve the representation of the ocean state for all advection schemes by reducing the and increasing the .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mixed-valence halide perovskites

Mixed-valence compounds—which feature an element in at least two different oxidation states—can display emergent optical and transport phenomena stemming from electron transfer between the different valences (intervalence charge-transfer; IVCT). As halide perovskites show promise as active materials in numerous optoelectronic devices, it is an opportune moment to incorporate and study the effects of mixed-valence in this versatile materials family, to access tunable electronic structures ranging from insulators to semiconductors to metals. Herein, we introduce the basic concepts of mixed-valence in molecules and discuss how these concepts may be extended to mixed-valence in extended solids. We then review the few studies of mixed valence in 3D and 2D halide perovskites and halide perovskites with mixed-valence impurities, ranging from studies in the early 1900s to the present day. In conclusion, through judicious choice of metal ion, its coordinating ligands and their geometry, and overall structural dimensionality, chemists can exert powerful synthetic control over electronic delocalization in mixed-valence perovskites, and we hope to see this intriguing materials class expand to encompass new compositions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗
DOE OSTI2026

Geologic stress modulates fluid mixing at fracture intersections

Fracture intersections are critical links that enable flow and transport in subsurface fracture networks, and their behavior strongly influences fluid mixing in a network. Although all subsurface fractures are subjected to geological stress, we lack a fundamental understanding of how fracture intersection geometry evolves under stress and how these changes influence fluid mixing. Here, we combine 3D printing, 3D X-ray tomographic imaging, and 3D pore-scale numerical simulations to reveal stress-induced changes in intersection geometry and their impact on mixing. Mixing is found to be strongly affected by partial closure of an intersection under stress. As an intersection closes, the void area for fluid flow and diffusion decreases leading to substantial deviations between conventional mixing models and full pore-scale modeling. To address this, we propose a modified mixing model that accounts for intersection deformation, which is essential for accurate modeling of solute transport and mixing through fracture networks.

15 GEOTHERMAL ENERGY↗
NASA NTRS2005

The Closure of the Ocean Mixed Layer Temperature Budget using Level-Coordinate Model Fields

Entrainment is an important element of the mixed layer mass, heat, and temperature budgets. Conventional procedures to estimate entrainment heat advection often do not permit the closure of heat and temperature budgets because of inaccuracies in its formulation. In this study a rigorous approach to evaluate the effect of entrainment using the output of a general circulation model (GCM) that does not have an explicit prognostic mixed layer model is described. The integral elements of the evaluation are 1) the rigorous estimates of the temperature difference between mixed layer water and entrained water at each horizontal grid point, 2) the formulation of the temperature difference such that the budget closes over a volume greater than one horizontal grid point, and 3) the apparent warming of the mixed layer during the mixed layer shoaling to account for the weak vertical temperature gradient within the mixed layer. This evaluation of entrainment heat advection is compared with the estimates by other commonly used ad hoc formulations by applying them in three regions: the north-central Pacific, the Kuroshio Extension, and the Nino-3 areas in the tropical Pacific. In all three areas the imbalance in the mixed layer temperature budget by the ad hoc estimates is significant, reaching a maximum of about 4 K yr(exp -1).

temperature gradient↗
DOE OSTI2025

A simple three-component mixing problem for the evaluation of a new reaction rate model

A simple computational mixing problem is presented which can be utilized to assess the behavior of Reynolds-averaged reaction rate models in a problem with temporally varying mixedness. In this problem, three mixing components are homogeneously distributed but initially separated in a triply periodic domain. Further, these components are initialized within a Taylor–Green-like velocity field, which creates a mixing history evolving from the so-called “no-mix limit” to a well-mixed state. Large-eddy simulation results from this problem in configurations involving both premixed and nonpremixed reactants are then compared with zero-dimensional Reynolds-averaged Navier–Stokes results utilizing a new model for multicomponent reacting mixtures. The new model is shown to appropriately respect the no-mix limit and outperforms an earlier model (Morgan, 2022), particularly at early times when components are near the no-mix limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Constraining Black Carbon Aging in Global Models to Reflect Timescales for Internal Mixing

The radiative effects of black carbon depend critically on its atmospheric lifetime, which is controlled by the rate at which freshly emitted combustion particles become internally mixed with other aerosol components. Global aerosol models strive to represent this process, but the timescale for aerosol mixing is not easily constrained using observations. In this study, we apply a timescale parameterization derived from particle‐resolved simulations to quantify, in a global aerosol model, the timescale for internal mixing. We show that, while highly variable, the average timescale for internal mixing is approximately 3 hr, which is much shorter than the 24‐hr aging timescale traditionally applied in bulk aerosol models. We then use the mixing timescale to constrain the aging criterion in the Modal Aerosol Module. Our analysis reveals that, to best reflect timescales for internal mixing, modal models should assume that particles transition from the hydrophobic (fresh) to the hydrophilic (aged) class once they accumulate a coating thickness equal to four monolayers of sulfuric acid, as opposed to the model's current aging criterion of eight monolayers. We show that, in remote regions like the Arctic and Antarctic, predictions of black carbon loading and its seasonal variation are particularly sensitive to the model representation of aging. By constraining aging in global models to reflect mixing timescales simulated by the particle‐resolved model, we eliminate one of the free parameters governing black carbon's long‐range transport and spatiotemporal distribution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Phased array-based nonlinear wave mixing technique: Application to lack-of-fusion porosity characterization in additively manufactured metals

The objective of this research is to demonstrate the effectiveness of a phased array-based nonlinear wave mixing technique to characterize internal, localized microscale damage in an additively manufactured (AM) component. By using phased arrays for the generation of the incident waves, it is possible to produce a nonlinear wave mixing scanning technique without the need for immersion or changing coupling conditions. The phased arrays can be configured to generate incident waves in multiple directions that meet the resonance conditions required for nonlinear wave mixing at a variety of internal locations. This allows for the scanning of a specimen without the removal and re-coupling of the source transducers, leading to greater scanning speed and repeatability. To demonstrate the accuracy of this phased array wave mixing approach, measurements of acoustic nonlinearity in an AM component are first made with a bulk wave second harmonic generation through thickness measurement. Next, nonlinear wave mixing measurements are made with single element transducers to confirm the sensitivity of the proposed nonlinear wave mixing approach to lack-of-fusion porosity in AM metals. Finally, phased arrays are used to highlight the effectiveness of the proposed nonlinear wave mixing technique in these same AM components.

Acoustics↗
DOE OSTI2024

Partition between supercooled liquid droplets and ice crystals in mixed-phase clouds based on airborne in situ observations

Abstract. The onset of ice nucleation in mixed-phase clouds determines the lifetime and microphysical properties of ice clouds. In this work, we develop a novel method that differentiates between various phases of mixed-phase clouds, such as clouds dominated by pure liquid or pure ice segments, compared with those having ice crystals surrounded by supercooled liquid water droplets or vice versa. Using this method, we examine the relationship between the macrophysical and microphysical properties of Southern Ocean mixed-phase clouds at −40 to 0 °C (e.g. stratiform and cumuliform clouds) based on the in situ aircraft-based observations during the US National Science Foundation Southern Ocean Clouds, Radiation, Aerosol Transport Experimental Study (SOCRATES) flight campaign. The results show that the exchange between supercooled liquid water and ice crystals from a macrophysical perspective, represented by the increasing spatial ratio of regions containing ice crystals relative to the total in-cloud region (defined as ice spatial ratio), is positively correlated with the phase exchange from a microphysical perspective, represented by the increasing ice water content (IWC), decreasing liquid water content (LWC), increasing ice mass fraction, and increasing ice particle number fraction (IPNF). The mass exchange between liquid and ice becomes more significant during phase 3 when pure ice cloud regions (ICRs) start to appear. Occurrence frequencies of cloud thermodynamic phases show a significant phase change from liquid to ice at a similar temperature (i.e. −17.5 °C) among three types of definitions of mixed-phase clouds based on ice spatial ratio, ice mass fraction, or IPNF. Aerosol indirect effects are quantified for different phases using number concentrations of aerosols greater than 100 or 500 nm (N>100 and N>500, respectively). N>500 shows stronger positive correlations with ice spatial ratios compared with N>100. This result indicates that larger aerosols potentially contain ice-nucleating particles (INPs), which facilitate the formation of ice crystals in mixed-phase clouds. The impact of N>500 is also more significant in phase 2 when ice crystals just start to appear in the mixed phase compared with phase 3 when pure ICRs have formed, possibly due to the competing aerosol indirect effects on primary and secondary ice production in phase 3. The thermodynamic and dynamic conditions are quantified for each phase. The results show stronger in-cloud turbulence and higher updraughts in phases 2 and 3 when liquid and ice coexist compared with pure liquid or ice (phases 1 and 4, respectively). The highest updraughts and turbulence are seen in phase 3 when supercooled liquid droplets are surrounded by ice crystals. These results indicate both updraughts and turbulence support the maintenance of supercooled liquid water amongst ice crystals. Overall, these results illustrate the varying effects of aerosols, thermodynamics, and dynamics through various stages of mixed-phase cloud evolution based on this new method that categorizes cloud phases.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1976

A new computer approach to mixed feature classification for forestry application

A computer approach for mapping mixed forest features (i.e., types, classes) from computer classification maps is discussed. Mixed features such as mixed softwood/hardwood stands are treated as admixtures of softwood and hardwood areas. Large-area mixed features are identified and small-area features neglected when the nominal size of a mixed feature can be specified. The computer program merges small isolated areas into surrounding areas by the iterative manipulation of the postprocessing algorithm that eliminates small connected sets. For a forestry application, computer-classified LANDSAT multispectral scanner data of the Sam Houston National Forest were used to demonstrate the proposed approach. The technique was successful in cleaning the salt-and-pepper appearance of multiclass classification maps and in mapping admixtures of softwood areas and hardwood areas. However, the computer-mapped mixed areas matched very poorly with the ground truth because of inadequate resolution and inappropriate definition of mixed features.

Kan, E. P.↗
NASA NTRS1976

Evaluation of scramjet combustor performance using cold nonreactive mixing tests

Results of cold supersonic ducted mixing tests are presented and compared with results of hot mixing and combustion tests obtained using the same apparatus. Two strut injectors are evaluated, one with injectors parallel to the free-stream direction and one with perpendicular injectors. Detailed flow surveys are used to determine the degree of mixing accomplished in the cold flow tests. In the hot flow tests, the amount of mixing and reaction is inferred from survey data and comparison of wall static pressures with one-dimensional flow calculations. These comparisons show that cold mixing results can be used to predict combustion results. In some cases, such as the normal injection strut tested, cold mixing efficiency and combustion efficiency are identical. In other cases, transport models developed from cold flow results can be applied to predict the effects of higher temperature mixing and reaction. Cold flow surveys are also used to determine detailed flow characteristics not readily measured in hot flows.

Mcclinton, C. R.↗
NASA NTRS1983

Scale model performance test investigation of mixed flow exhaust systems for an energy efficient engine /E3/ propulsion system

As part of the NASA Energy Efficient Engine program, scale-model performance tests of a mixed flow exhaust system were conducted. The tests were used to evaluate the performance of exhaust system mixers for high-bypass, mixed-flow turbofan engines. The tests indicated that: (1) mixer penetration has the most significant affect on both mixing effectiveness and mixer pressure loss; (2) mixing/tailpipe length improves mixing effectiveness; (3) gap reduction between the mixer and centerbody increases high mixing effectiveness; (4) mixer cross-sectional shape influences mixing effectiveness; (5) lobe number affects mixing degree; and (6) mixer aerodynamic pressure losses are a function of secondary flows inherent to the lobed mixer concept.

Kuchar, A. P.↗
NASA NTRS1987

Mechanisms by which heat release affects the flow field in a chemically reacting, turbulent mixing layer

The mechanisms by which heat release affects the fluid dynamics in a turbulent reacting mixing layer are studied by direct numerical simulation. In agreement with previous laboratory experiments, the heat release is observed to lower the rate at which the mixing layer grows and to reduce the rate at which chemical products are formed. The baroclinic torque and thermal expansion in the mixing layer are shown to produce changes in the flame vortex structure that act to produce more diffuse vortices than in the constant density case, resulting in lower rotation rates of fluid elements. Previously unexplained anomalies observed in the mean velocity profiles of reacting jets and mixing layers are shown to result from vorticity generation by baroclinic torques. The density reductions also lower the generation rates of turbulent kinetic energy and the turbulent shear stresses, resulting in less turbulent mixing of fluid elements. Calculations of the energy in the various wave numbers show that the heat release has a stabilizing effect on the growth rates of individual modes. A linear stability analysis of a simlified model problem confirms this, showing that low density fluid in the mixing region will result in a shift of the frequency of the unstable modes to lower wave numbers (longer wavelengths). The growth rates of the unstable modes decrease, contributing to the slower growth of the mixing layer.

Riley, J. J.↗
NASA NTRS1988

Structure and growth of the mixing layer over the Amazonian rain forest

The structure and growth of the atmospheric mixed layer over the Amazonian rain forest were examined using measurements obtained during the NASA Amazon Boundary Layer Experiment. Measurements of temperature, moisture, and horizontal wind were carried out in and above the mixed layer by means of a tethered balloon, rawinsonde, and aircraft; fluxes of sensible and latent heat were measured at the top of the canopy. It was found that the mixing layer grows rapidly, at 5-8 cm/sec, soon after sunrise to a mean maximum height of 1200 m by 1300 LT; during undisturbed conditions, mixed layer heights of 1000 are common between 1000 and 1600 LT. No horizontal inhomogeneities in the mixed layer structure or depth were found over large distances. A simple mixed layer model was applied to show how fluxes of species might be estimated using only quantities measured at the surface and prescribing an initial condition and boundary condition for the mixed layer.

Martin, Charles L.↗
NASA NTRS1990

Oceanic upper mixed layer depth determination by the use of satellite data

A method has been developed to determine the oceanic daily mean mixed layer depth from satellite observations and a mixed layer thermal inertia (MLTI) model. The algorithms were developed to use remotely-sensed values of sea surface temperature, albedo, and surface wind speeds to calculate the thermal inertia and to predict changes in subsurface diurnal mixed layer depth. The MLTI model, based on a mixed layer model of the upper ocean, has been used to simulate the diurnal mixing process and thermal inertia distribution in the Sargasso Sea around 34 deg N, 70 deg W. Sea surface temperature and albedo have been obtained from the NOAA7-AVHRR images. Surface wind speeds have been derived from the Scanning Multichannel Microwave Radiometer (SMMR) aboard Nimbus 7. Image processing was performed for images gathered between June and July 1982. The daily mean mixed layer depths predicted by the MLTI model agree well with data gathered at the LOTUS mooring located in the Sargasso Sea. This suggests that vertical mixing is the dominant physical process that controls the thermal inertia distribution in the midocean, far from major current systems, and that remote sensing is a promising tool to study such upper ocean processes.

Yan, Xiao-Hai↗
NASA NTRS1990

Summary of JAYGO mixing and FSM-1 application of castable inhibitor and liner

Two JAYGO planetary mixers (12 and 42 gallon) are being qualified to mix STW5-3224 liner and STW5-3223 castable inhibitor. These mixers are an integral part of a mix process which allows for safe addition of the asbestos component. An essential part of the engineering evaluation (ETP-0347) of these mixers is the generation of static test fire data. Ultimately, these results will help confirm the adequacy of these mixers for production mixing of liner and inhibitor. (These data are not required for qualification of the Certification Test Plan CTP-0125). The details on the mixing, inhibiting, and sling-lining of JAYGO-mixed castable inhibitor and liner which were applied to the FSM-1 segments are presented. The objectives are the following: (1) to document processing events surrounding the JAYO mixing of castable inhibitor and liner, and the subsequent inhibiting and sling lining onto the FSM-1 segments; and (2) to substantiate the measured properties of these JAYGO-mixed materials (rheological and mechanical) and compare these properties to existing production database.

Evans, Kurt B.↗
NASA NTRS1991

Supersonic mixing enhancement by vorticity for high-speed propulsion

The results of a three year study on vortex enhancement of supersonic mixing are discussed. Recent interests in compressible mixing has spurred research in the field of high speed shear layers. It was established that shear layer growth diminishes with increasing convective Mach number; this Mach number is the relative Mach number of the large scale structures in the shear layer with respect to the Mach numbers on either side of the shear layer. The purpose was to evaluate the effect of swirl on compressible mixing rates. Previously analytical and experimental results seem to indicate that swirling flow may significantly modify the shear layer, in some cases resulting in enhanced mixing. Previous studies of the effect of swirl on compressible mixing were incomplete since the amount of swirl in the flowfield was not quantified. This study was undertaken to conclusively determine the effect of swirl on supersonic mixing, including the quantification of the swirl. Preliminary results indicate that the swirl modestly enhances the mixing rates.

Settles, Gary S.↗
NASA NTRS1990

Interaction of a streamwise vortex with a turbulent mixing layer

The interaction of a single streamwise vortex with a plane turbulent mixing layer is experimentally studied. Initially, near the mixing layer origin, the vortex rides just below the layer and only affects the mixing layer properties near the bottom side of the mixing layer. Once the vortex starts to become embedded within the mixing layer and active interaction has begun, the effect of the vortex is to grossly distort the mean velocity and turbulence contours over the whole width of the mixing layer. The induced cross-flow velocities in the mixing layer result in the production of additional normal Reynolds stresses which in turn act with mean flow gradients to generate extra shear stresses. In particular, the secondary shear stress (SSS) achieves an absolute peak value equivalent to about 40 percent of the maximum primary shear stress. The position and decay of the SSS peak are then found to be strongly correlated with those of the streamwise vortex.

Bell, James H.↗