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DOE OSTI2021

The importance of independent replication of treatments in plant science

Among other foci, the Journal of Experimental Botany aims to advance understanding of plant environment interactions, including abiotic stress, mineral nutrition, and the response of plants to global change. Advancing understanding in these areas often requires manipulation of the growth environment. Experiments range in scale and include: growth chambers (Yiotis et al., 2020), glasshouses (Rho et al., 2019), whole plant chambers (Sharwood et al., 2017), and open-air field experiments (Ruiz-Vera et al., 2020). The application of environmental manipulations can be constrained by available resources, operational costs, and time. In designing experiments, researchers attempt to balance logistical challenges with the desire to address scientific questions and maximize statistical power.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

The Joint Assimilation of Remotely Sensed Leaf Area Index and Surface Soil Moisture into a Land Surface Model

This work tests the hypothesis that jointly assimilating satellite observations of leaf area index and surface soil moisture into a land surface model improves the estimation of land vegetation and water variables. An Ensemble Kalman Filter is used to test such hypothesis across the Contiguous United States during April 2015 – December 2018. The performance of the proposed methodology is assessed for several modeled vegetation and water variables (evapotranspiration, net ecosystem exchange, and soil moisture) in terms of random errors and anomaly correlation coefficients against a set of independent validation datasets (i.e., Global Land Evaporation Amsterdam Model, FLUXCOM, and International Soil Moisture Network). Results show that the assimilation of leaf area index mostly improves the estimation of evapotranspiration and net ecosystem exchange, whereas the assimilation of surface soil moisture alone improves surface soil moisture content, especially in the western US, in terms of both root mean squared error and anomaly correlation coefficient. The joint assimilation of vegetation and soil moisture information combines the results of individual vegetation and soil moisture assimilations and reduces errors (and increases correlations with the reference datasets) in evapotranspiration, net ecosystem exchange, and surface soil moisture simulated by the land surface model. However, because soil moisture satellite observations only provide information on the water content in the top 5 cm of the soil column, the impact of the proposed data assimilation technique on root zone soil moisture is limited. This work moves one step forward in the direction of improving our estimation and understanding of land surface interactions using a multi-variate data assimilation approach, which can be particularly useful in regions of the world where ground observations are sparse or missing altogether.

Data assimilation↗

DOE OSTI2026

Liquid-to-gas transfer of sodium in a liquid anode glow discharge

Solute transfer from the liquid to the gas phase in plasmas has been widely used in analytical chemistry often focused on liquid cathode discharges. In this study, we report on time-resolved absolute density measurements of sodium in a glow discharge plasma with a NaCl solution anode using two-photon absorption laser induced fluorescence. The averaged maximum sodium density is found to be similar to the electron density in the discharge consistent with plasma-induced vapor generation. Random sodium flashes were also observed extending into the plasma afterglow and are attributed to sodium particles falling back on the liquid surface. Cataphoresis can explain the location of the maximum sodium density near the cathode side of the electrode gap rather than near the liquid anode region.

chemical vapor generation↗

NASA NTRSDate not supplied

Parameters Impacting Columnated Granular Soil Pneumatic Seal Performance

The ability of a column of loose granular soil to form a pneumatic seal was investigated by varying the diameter of the soil column, the effective column height, and the level of compaction in the soil. The soil column diameter was tested at three levels using pipes with inner diameters measuring 5.08, 10.16, and 15.24 centimeters (2, 4, and 6 inches). Soil was filled in each pipe to form 15, 30, and 45 centimeter (6, 12, and 18 inch) tall soil columns. Each diameter/height configuration was also tested at three levels of soil compaction, compared by calculating the bulk density of the soil with mass and volume measurements. GRC-1a simulant was used, with approximate low/medium/high bulk densities of 1.6, 1.75, and 1.9 g/cc achieved with a combination of vibration and tamping. The order of tests for a given column diameter was randomized and repeated three times. With the top of the soil open to atmosphere at room temperature, compressed air was injected through a small diffuser at the column base with several small downward-facing holes. The number and size of these holes was scaled such that a constant total inlet orifice area to column cross sectional area ratio was maintained for each column diameter. Inlet air pressure was slowly increased via a precision regulator to preserve quasi-static equilibrium in the soil column to minimize the impact of dynamics. Air pressure was increased all the way through the static and bubbling regimes until slugging or turbulent behavior was observed in the soil to ensure that the entire static regime had been captured during data collection. A three-factor, three-level analysis of variance (ANOVA) statistical analysis was performed on the resulting data to determine the extent to which each physical parameter impacted the soil column seal performance. It was concluded that there is statistically significant evidence that column height, and the interaction between column height and diameter impact soil seal performance. In all other cases there was insufficient data to identify a statistically significant causal relationship. Additionally, plots were generated comparing experimental data to the predictive formula developed by Ogino et al. for fluidized beds in 1993. Because this model was developed for industrial spouted fluidized beds, the accuracy of its output prior to fluidization in the static seal ‘edge case’ is unknown, especially considering in this application the working gas was diffused across the column base rather than being injected through a spout. Further, the fidelity of the model had not yet been tested with lunar soil simulants. Plotting the Ogino et al. model alongside test data allows for a more intuitive sense of the impact of test parameters on soil seal performance, as well as providing a quick means to further tune this predictive model for more accurate use with static seals across granular lunar soil simulants. The model provided by Ogino et al. was further tuned using test data to determine the degree to which a spouted bed model could be applied to a slightly modified set of testing conditions: lunar soil simulants and a more diffuse, homogeneous application of pneumatic pressure. A Matlab script was created to test different values for the leading coefficient and exponents in Ogino’s formula. The script swept preset ranges, then iterated with higher resolutions across narrower ranges to converge on the optimal value for each parameter. The resulting adjusted model was compared to the original, as well as test data with noticeable improvements across the entire test domain.

Jack Stewart↗

DOE OSTI2024

Direct numerical simulation of open-channel flow over a heterogeneous particle bed at low relative submergence

In this article, this study investigates turbulent open-channel flows over beds of irregularly arranged particles, using direct numerical simulations at a friction Reynolds number of Re T = 300⁠. Two distinct cases are examined: a polydisperse bed (P800) composed of multiple layers of randomly distributed spheres of varying sizes, and a monodisperse bed (M1015) formed by a random distribution of uniform sized spheres, with a bottommost single layer of varied-sized particles to introduce realistic randomness. Our investigation unveils a rich network of low- and high-speed streaks within the flow field, exhibiting distinctive behaviors in different bed configurations. The P800 case presents a poorly organized flow pattern induced by the varied particle sizes and arrangements, while the M1015 case shows a more regular flow pattern, marked by larger streaks. We also observe that total wall shear stress is substantially influenced by surface roughness-induced drag, extending beyond the effects documented in existing studies of open-channel flows. The present study reveals intricate secondary flow patterns over irregular particle beds. Large-scale circulations are discerned around particle crests in the P800 case and localized circulations with increased turbulence in the M1015 case. Furthermore, analysis of Reynolds stress tensor components indicates that roughness disrupts coherent turbulent eddies, consequently mitigating peak stress. We quantify correlations between drag force and local fluid velocity fluctuations. Notably, a larger deviation in drag is observed in the P800 case compared to M1015, accentuating the influence of particle size and distribution on fluid–particle interactions.

42 ENGINEERING↗

NASA NTRS2017

Remote Linkages to Anomalous Winter Atmospheric Ridging over the Northeastern Pacific

Severe drought in California between 2013 and 2016 has been linked to the multiyear persistence of anomalously high atmospheric pressure over the northeastern Pacific Ocean, which deflected the Pacific storm track northward and suppressed regional precipitation during California's winter 'rainy season.' Multiple hypotheses have emerged regarding why this high pressure ridge near the west coast of North America was so resilient-including unusual sea surface temperature patterns in the Pacific Ocean, reductions in Arctic sea ice, random atmospheric variability, or some combination thereof. Here we explore relationships between previously documented atmospheric conditions over the North Pacific and several potential remote oceanic and cryospheric influences using both observational data and a large ensemble of climate model simulations. Our results suggest that persistent wintertime atmospheric ridging similar to that implicated in California's 2013-2016 drought can at least partially be linked to unusual Pacific sea surface temperatures, and that Pacific Ocean conditions may offer some degree of cool-season foresight in this region despite the presence of substantial internal variability.

California drought;Atmospheric ridging;Ocean-atmos↗

DOE OSTI2025

Contributions of vegetation heterogeneity within tower footprint to CO 2 flux estimations through graph neural network modeling

Net ecosystem exchange of CO 2 (Fc) measured directly by eddy covariance towers is based on various assumptions, including large, flat and homogenous land cover type. In reality, often a tower site is not large enough for flux measurements, and landscapes consist of patches of different land cover types within the flux footprint. In addition, some portions of fluxes are contributed by different cover types when a footprint exceeds the size of the target ecosystem. The contributions of non-dominant patches to Fc are often ignored. Here, in this study, we propose a novel integrated modeling framework that combines random forest (RF) and XGBoost with a residual correction module based on a deep graph convolutional network (DeeperGCN) to simulate Fc for seven flux measurement sites in southwest Michigan. High-resolution remote sensing vegetation indices, soil properties, meteorological variables, and footprint-weighted spatial features were used as model inputs at three spatial resolutions (10 m, 20 m, 30 m), and their importance in predicting Fc with DeeperGCN was assessed. We found that residual correction using DeeperGCN significantly improved prediction accuracy, with the R 2 increasing from 0.9098 to 0.9479 for RF and from 0.9235 to 0.9433 for XGBoost. At site level, the maximum improvement in R 2 reached 0.1617. Paired t-tests confirmed that these improvements were statistically significant (p < 0.05). Among all predictors, leaf area index and incoming shortwave radiation emerged as the dominant drivers of spatial residual variation, followed by precipitation, relative humidity, and selected vegetation indices. The 20 m resolution yielded the best balance between model performance and computational efficiency. In conclusion, our modeling framework effectively captures both spatial heterogeneity and nonlinear interactions, offering a robust solution for spatially explicit flux modeling in structurally diverse ecosystems beyond the study sites.

footprint model↗

DOE OSTI2021

Structure Tuning, Strong Second Harmonic Generation Response, and High Optical Stability of the Polar Semiconductors Na 1- x K x AsQ 2

We report the mixed cation compounds Na 1-x K x AsSe 2 (x = 0.8, 0.65, 0.5) and Na 0.1 K 0.9 AsS 2 crystallize in the polar noncentrosymmetric space group Cc. The AAsQ(2) (A = alkali metals, Q = S, Se) family features one-dimensional (1D) 1 / ∞ [AQ 2 - ] chains comprising corner-sharing pyramidal AQ 3 units in which the packing of these chains is dependent on the alkali metals. The parallel 1 / ∞ [AQ(2) - ] chains interact via short As ∙∙∙Se contacts, which increase in length when the fraction of K atoms is increased. The increase in the As ∙∙∙Se interchain distance increases the band gap from 1.75 eV in γ-NaAsSe 2 to 2.01 eV in Na 0.35 K 0.65 AsSe 2 , 2.07 eV in Na 0.2 K 0.8 AsSe 2 , and 2.18 eV in Na 0.1 K 0.9 AsS 2 . The Na 1-x K x AsSe 2 (x = 0.8, 0.65) compounds melt congruently at approximately 316 °C. Wavelength-dependent second harmonic generation (SHG) measurements on powder samples of Na 1-x K x AsSe 2 (x = 0.8, 0.65, 0.5) and Na 0.1 K 0.9 AsS 2 suggest that Na 0.2 K 0.8 AsSe 2 and Na 0.1 K 0.9 AsS 2 have the highest SHG response and exhibit significantly higher laser-induced damage thresholds (LIDTs). Theoretical SHG calculations on Na 0.5 K 0.5 AsSe 2 confirm its SHG response with the highest value of d 33 = 22.5 pm/V χ 333 (2) = 45.0 pm/V). The effective nonlinearity for a randomly oriented powder is calculated to be d eff = 18.9 pm/V χ eff (2) = 37.8 pm/V), which is consistent with the experimentally obtained value of d eff = 16.5 pm/V χ eff (2) = 33.0 pm/V). Three-photon absorption is the dominant mechanism for the optical breakdown of the compounds under intense excitation at 1580 nm, with Na 0.2 K 0.8 AsSe 2 exhibiting the highest stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1971

Application of Monte Carlo techniques to optimization of high-energy beam transport in a stochastic environment

An algorithm employing a modified sequential random perturbation, or creeping random search, was applied to the problem of optimizing the parameters of a high-energy beam transport system. The stochastic solution of the mathematical model for first-order magnetic-field expansion allows the inclusion of state-variable constraints, and the inclusion of parameter constraints allowed by the method of algorithm application eliminates the possibility of infeasible solutions. The mathematical model and the algorithm were programmed for a real-time simulation facility; thus, two important features are provided to the beam designer: (1) a strong degree of man-machine communication (even to the extent of bypassing the algorithm and applying analog-matching techniques), and (2) extensive graphics for displaying information concerning both algorithm operation and transport-system behavior. Chromatic aberration was also included in the mathematical model and in the optimization process. Results presented show this method as yielding better solutions (in terms of resolutions) to the particular problem than those of a standard analog program as well as demonstrating flexibility, in terms of elements, constraints, and chromatic aberration, allowed by user interaction with both the algorithm and the stochastic model. Example of slit usage and a limited comparison of predicted results and actual results obtained with a 600 MeV cyclotron are given.

Parrish, R. V.↗

DOE OSTI2025

Efficient wind farm layout optimization with the FLOWERS AEP model and analytic gradients

Wind farm layout optimization (WFLO) studies often aim to maximize the annual energy production (AEP) of a wind farm by choosing an arrangement of turbines that minimizes wake interactions. One way to reduce the cost of WFLO studies is by using more computationally efficient AEP models. The cost of standard AEP modeling approaches, based on the numerical integration of low-fidelity engineering wake models, scales poorly with the number of simulated discrete wind conditions. A second way to reduce cost when using a gradient-based algorithm is to supply exact gradient information instead of finite-difference estimates. However, analytical functions for the derivatives of AEP with respect to turbine positions are not always available in the conventional modeling approach. FLOWERS is a computationally inexpensive, analytical model for wind farm AEP that is specifically developed for WFLO applications. In this paper, we analyze the performance of the FLOWERS AEP model with analytic gradients in a layout optimization study compared with a reference optimization framework across three wind farm case studies. We find that the FLOWERS-based approach reduces computation time by a factor of 50–4000 and improves optimal AEP by about 0.3% with less than half of the variability in AEP across instances with randomized initial conditions. We also find the optimal layouts to be insensitive to model parameter tuning, making FLOWERS-based layout optimization a streamlined, user-friendly approach.

17 WIND ENERGY↗

NASA NTRS1995

Pressure correlations at a fluid/structure interface

The structure of pressure-pressure correlations at the interface of an incompressible steady-state turbulent flow with a rigid boundary was investigated. For the sake of completeness, the absolute value of the correlation between two random varying functions is herein defined as a number greater than or equal to zero and less than or equal to unity which is a measure of that fraction of one of the functions that 'follows' the second function (or vice versa). It was found that the soughtafter correlations can be determined by consideration of the high Re Navier-Stokes equation, but that the complexity of boundary layer turbulence, in particular the inhomogeneity perpendicular to the boundary and the anisotropy due to convective flow gradients, makes the structure of said correlations extremely difficult to assess. One of the earlier researchers in this field described the quantity under present consideration as 'a quantity which is beyond assessment.' Nonetheless, it was found that under some rather simplifying assumptions the determination of the required structure necessitates the formulation of the related structure of second order two-point correlations of turbulent velocity gradients, as well as third order two-point correlations of velocity gradients. The presence of these latter gradients is due to the nonlinearity in the turbulence ('turbulence self-interaction'). Both of these correlations are scaled, although not similarly, by factors dependent upon the magnitude of the convective flow, which can be modeled using a log law approximation. Fourth order correlations, although present, can be ignored, since they constitute 'higher order terms.' In a slightly more complex situation, it was found that convective flow gradients also have to be incorporated. At the moment, no definitive algebraic information peculiar to pressure-pressure correlations is available in the most highly idealized cases.

Trevino, George↗

DOE OSTI2024

Evaluation of RANS vs. LES simulation of fluid flow through 3 × 3 rod bundle with a simple spacer grid as a precursor to coupled fluid–structure interaction simulations

The research literature on Computational Fluid Dynamics (CFD) of coolant flow through rod bundles with spacer-grids and mixing vanes is replete, ranging from high fidelity Large Eddy Simulation (LES)/Direct Numerical Simulation (DNS) simulations to Reynolds-Averaged Navier–Stokes (RANS) modeled studies. The mixing of flow between subchannels and the pressure drop through the bundle are fundamental quantities useful for comparing and evaluating CFD methods. Less commonly observed and compared are the forces exerted onto the structure by the fluid. The present study seeks to evaluate the use of RANS simulations for predicting the structural response to fluid flow. Wall resolved RANS simulations are benchmarked against LES simulations of fluid flow at a Reynolds number of 15,000 through a 3 × 3 fuel rod bundle with a simple spacer grid. Velocity line-plots are compared showing good agreement between RANS and LES results, ascertaining that the former is capable of capturing the essential time-averaged velocity profile. Additionally, the distribution of forces on the spacer grid and fuel rods are collected as a function of time and space. The RANS methods are evaluated using the frequency and magnitude of the fluctuating forces on various portions of the structure as compared to LES. In conclusion, the power spectral density evaluation of the models reveal underprediction of force amplitude on the rod walls by RANS and also discrepancy in the prediction of high frequency spectra, especially in the immediate vicinity of spacer-grid structure, which may be attributed to the lack of random turbulence fluctuation or insufficient modeling of small-scale eddies in RANS simulation.

FIV↗

DOE OSTI2021

Equatorial waves triggering extreme rainfall and floods in southwest Sulawesi, Indonesia

On the basis of detailed analysis of a case study and long-term climatology, it is shown that equatorial waves and their interactions serve as precursors for extreme rain and flood events in the central Maritime Continent region of southwest Sulawesi, Indonesia. Meteorological conditions on January 22, 2019, leading to heavy rainfall and devastating flooding in this area were studied. It is shown that a convectively coupled Kelvin wave (CCKW) and a convectively coupled Rossby wave (CCERW) embedded within the larger-scale envelope of the Madden-Julian Oscillation (MJO) enhanced convective phase, contributed to the onset of a mesoscale convective system which developed over the Java Sea. Low-Level convergence from the CCKW forced mesoscale convective organization and orographic ascent of moist air over the slopes of southwest Sulawesi. Climatological analysis shows that 92 % of December-January-February floods and 76% of extreme rain events in this region were immediately preceded by positive low-level westerly wind anomalies. It is estimated that both CCKWs and CCERWs propagating over Sulawesi double the chance of floods and extreme rain event development, which the probability of such hazardous events occurring during their combined activity is eight times greater than on a random day. While the MJO is a key component shaping tropical atmospheric variability, it is shown that its usefulness as a single factor for extreme weather-driven hazard prediction is limited.

Latos, Beata↗

DOE OSTI2022

Experimental Investigation of Interactions Between Two Closely Spaced Azimuthal Modes in a Multinozzle Can Combustor

Thermoacoustic instabilities in annular or circular combustors are often coupled with azimuthal modes. These modes can be characterized by a spin ratio (SR), which quantifies the dominant mode between two counter-rotating waves, and a phase difference between them, which is directly related to the orientation of the antinodal line. This study investigates the instability amplitudes, SR, and phase difference of two closely spaced (3% of their mean frequency), yet distinct azimuthal modes; one is the first azimuthal (1A) mode, and the other is a combination of first azimuthal and first longitudinal (1A1L) mode. Each mode itself consists of two peaks that are spaced even more closely in frequency (0.8%). Furthermore, distinct harmonics at 2× and 3× of these frequencies, presumably associated with nonlinearities, are also evident in the spectra. Each mode is bandpass filtered in spectrum to analyze them separately. For the 1A mode, the SR and phase difference exhibit a variety of behaviors—including quasi-periodic standing waves, spinning waves, and intermittency—depending on operating conditions such as thermal power and azimuthal fuel staging. Similar trends are observed for the 1A1 L mode. Moreover, there is clear coupling between the 1A and 1A1 L modes, as their SRs are almost synchronized during the quasi-periodic standing wave. This synchronization is observed in phase differences as well, but not in the instability amplitude. For spinning dominant wave conditions, the SRs of each mode have similar average values, but they fluctuate in a seemingly random fashion. For the phase difference, both average and fluctuation are not correlated. In contrast, the instability amplitudes are strongly correlated, with modulation of the 1A mode leading to that of the 1A1 L mode. Furthermore, these results clearly indicate that complex coupling occurs across closely spaced frequencies under instability conditions, coupling that must be understood in order to capture limit cycle dynamics.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1993

Design and testing of a unique randomized gravity, continuous flow bioreactor

A rotating, null gravity simulator, or Couette bioreactor was successfully used for the culture of mammalian cells in a simulated microgravity environment. Two limited studies using Lipomyces starkeyi and Streptomyces clavuligerus were also conducted under conditions of simulated weightlessness. Although these studies with microorganisms showed promising preliminary results, oxygen limitations presented significant limitations in studying the biochemical and cultural characteristics of these cell types. Microbial cell systems such as bacteria and yeast promise significant potential as investigative models to study the effects of microgravity on membrane transport, as well as substrate induction of inactive enzyme systems. Additionally, the smaller size of the microorganisms should further reduce the gravity induced oscillatory particle motion and thereby improve the microgravity simulation on earth. Focus is on the unique conceptual design, and subsequent development of a rotating bioreactor that is compatible with the culture and investigation of microgravity effects on microbial systems. The new reactor design will allow testing of highly aerobic cell types under simulated microgravity conditions. The described reactor affords a mechanism for investigating the long term effects of reduced gravity on cellular respiration, membrane transfer, ion exchange, and substrate conversions. It offers the capability of dynamically altering nutrients, oxygenation, pH, carbon dioxide, and substrate concentration without disturbing the microgravity simulation, or Couette flow, of the reactor. All progeny of the original cell inoculum may be acclimated to the simulated microgravity in the absence of a substrate or nutrient. The reactor has the promise of allowing scientists to probe the long term effects of weightlessness on cell interactions in plants, bacteria, yeast, and fungi. The reactor is designed to have a flow field growth chamber with uniform shear stress, yet transfer high concentrations of oxygen into the culture medium. The system described allows for continuous, on line sampling for production of product without disturbing fluid and particle dynamics in the reaction chamber. It provides for the introduction of substrate, or control substances after cell adaptation to simulated microgravity has been accomplished. The reactor system provides for the nondisruptive, continuous flow replacement of nutrient and removal of product. On line monitoring and control of growth conditions such as pH and nutrient status are provided. A rotating distribution valve allows cessation of growth chamber rotation, thereby preserving the simulated microgravity conditions over longer periods of time.

Lassiter, Carroll B.↗

NASA NTRS1994

Numerical and experimental analyses of the radiant heat flux produced by quartz heating systems

A method is developed for predicting the radiant heat flux distribution produced by tungsten filament, tubular fused-quartz envelope heating systems with reflectors. The method is an application of Monte Carlo simulation, which takes the form of a random walk or ray tracing scheme. The method is applied to four systems of increasing complexity, including a single lamp without a reflector, a single lamp with a Hat reflector, a single lamp with a parabolic reflector, and up to six lamps in a six-lamp contoured-reflector heating unit. The application of the Monte Carlo method to the simulation of the thermal radiation generated by these systems is discussed. The procedures for numerical implementation are also presented. Experiments were conducted to study these quartz heating systems and to acquire measurements of the corresponding empirical heat flux distributions for correlation with analysis. The experiments were conducted such that several complicating factors could be isolated and studied sequentially. Comparisons of the experimental results with analysis are presented and discussed. Good agreement between the experimental and simulated results was obtained in all cases. This study shows that this method can be used to analyze very complicated quartz heating systems and can account for factors such as spectral properties, specular reflection from curved surfaces, source enhancement due to reflectors and/or adjacent sources, and interaction with a participating medium in a straightforward manner.

Turner, Travis L.↗

NASA NTRS2003

Sheet Flows, Avalanches, and Dune Evolution on Earth and Mars

This investigation is a collaboration between researchers at Cornell University, the University of Florida, and the University of Rennes 1, France. Flow modeling at Cornell University focused on mechanisms for the suspension and transport of wind-blown sand that are important in both terrestrial and Martian environments. These mechanisms include the saltation (or jumping) of grains, collisions between grains, and the interaction of grains with the velocity fluctuations of the turbulent wind. Of particular interest are sheet flows; these are relatively thin, highly concentrated regions of grains flowing near the ground under the influence of a strong turbulent wind. In them, the grains are suspended by interparticle collisions. Sheet flows may be relatively rare events, but they have the capacity to move great amounts of sand. In order to describe sheet flows, a turbulent mixture theory was formulated for particles in a fluid in which fluctuations in the volume fiaction of the particles take place on the scale of the turbulent eddies. Ensemble averaged equations for particle and fluid mass, momentum, and energy and fluid rate of dissipation were expressed in terms of Farve (concentration) averaged velocities and the associated velocity fluctuations. Correlations that describe the turbulent suspension of particles and dissipation of turbulent energy of both phases due to fluid particle interactions were modeled and boundary conditions at the bed and at the upper surface of the collisional flow were formulated. The boundary conditions at the upper surface were tested in a numerical simulation developed at the University of Florida. Steady and unsteady solutions for steady and unsteady fully-developed flows were obtained over a range of wind speeds fiom the lowest for which collisional between particles occurred to at which turbulent suspension is found to dominate collisional suspension. Below the value of the wind speed at which collisions between particles were unimportant, numerical solutions were obtained for the velocity distribution function and the resulting fields of concentration, particle and gas mean velocity, and particle shear stress for the steady two-dimensional saltation of spherical sand particles driven by a turbulent wind over a bed characterized by a simple relationship (the splash function) between the properties of incoming particles and those of the rebounding particles and other particles ejected fiom the bed. At the University of Rennes 1, experiments devoted to the characterization of the splash function for beds consisting of either random or ordered arrays of spheres in two- dimensions were completed. These indicated the role played by the packing geometry in the rebound and ejection of grains. Preliminary experiments on response of a three- dimensional collision bed to a collision with a single particle were performed. Data was taken with a single camera focused on the plane of collision. Here, for example, the decrease of the effective coefficient of restitution of the bed with an increase of the angle of incidence of the incoming particle has been measured. Other experiments on avalanches at Rennes studied the properties of the flows of particles that are responsible for the motion of the leeward side of a dune. In these, the dependence of the initiation of avalanches on the packing and depth of the particles was measured. Particle migration was studied in inclined flows of a binary mixture of disks and the mechanisms of diffision and segregation were isolated and characterized. The influence of side wall on dense, rapid inclined flows was measured and shown to be the reason why the angle of the free surface in such flows can exceed the static angle of repose. Future research will be devoted to a better understanding the transition between saltating (collisionless) and collisional flows as the wind speed the increases. This will involve the understanding of the evolution of the splash function as clisions with the bed become more numerous, more frequent, and more violent.

Source record↗

DOE OSTI2023

Anti-polyelectrolyte and polyelectrolyte effects on conformations of polyzwitterionic chains in dilute aqueous solutions

Abstract Polyzwitterions (PZs) are considered as model synthetic analogs of intrinsically disordered proteins. Based on this analogy, PZs in dilute aqueous solutions are expected to attain either globular (i.e. molten, compact) or random coil conformations. Addition of salt is expected to open these conformations. To the best of our knowledge, these hypotheses about conformations of PZs have never been verified. In this study, we test these hypotheses by studying effects of added salt [potassium bromide (KBr)] on gyration and hydrodynamic radii of poly(sulfobetaine methacrylate) in dilute aqueous solutions using dynamic light scattering and small-angle X-ray scattering, respectively. Effects of zwitteration are revealed by direct comparisons of the PZs with the polymers of the same backbone but containing (1) no explicit charges on side groups such as poly(2-dimethylaminoethyl methacrylate)s and (2) explicit cationic side groups with tertiary amino bromide pendants. Zeta-potential measurements, transmission electron microscopy, and ab initio molecular dynamics simulations reveal that the PZs acquire net positive charge in near salt-free conditions due to protonation but retain coiled conformations. Added KBr leads to nonmonotonic changes exhibiting an increase followed by a decrease in radius of gyration (and hydrodynamic radius), which are called antipolyelectrolyte and polyelectrolyte effects, respectively. Charge regulation and screening of charge–charge interactions are discussed in relation to the antipolyelectrolyte and polyelectrolyte effects, respectively, which highlight the importance of salt in affecting net charge and conformations of PZs.

36 MATERIALS SCIENCE↗