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DOE OSTI2025

A Unified Interpretation of Variability in Precipitation Isotope Ratios

Abstract Several mechanisms have been proposed to explain why the isotope ratios of precipitation vary in space and time and why they correlate with other climate variables like temperature and precipitation. Here, we argue that this behavior is best understood through the lens of radiative transfer, which treats the depletion of atmospheric vapor transport by precipitation as analogous to the attenuation of light by absorption or scattering. Building on earlier work by Siler et al., we introduce a simple model that uses the equations of radiative transfer to approximate the two-dimensional pattern of the oxygen isotope composition of precipitation ( δ p ) from monthly mean hydrologic variables. The model accurately simulates the spatial and seasonal variability in δ p within a state-of-the-art climate model and permits a simple decomposition of δ p variability into contributions from gradients in evaporation and the length scale of vapor transport. Outside the tropics, δ p is mostly controlled by gradients in evaporation, whose dependence on temperature explains the positive correlation between δ p and temperature (i.e., the temperature effect). At low latitudes, δ p is mostly controlled by gradients in the transport length scale, whose inverse relationship with precipitation explains the negative correlation between δ p and precipitation (i.e., the amount effect). This suggests that the temperature and amount effects are both mostly explained by the variability in upstream rainout, but they reflect distinct mechanisms governing rainout at different latitudes. Significance Statement The isotopic composition of precipitation has long been used to make inferences about past climates based on its observed relationship with precipitation in the tropics and with temperature at higher latitudes. These relationships—known as the “amount effect” and “temperature effect,” respectively—have been attributed to many different mechanisms, most of which are thought to operate at either high or low latitudes but not both. Here, we present a unified framework for interpreting the isotope variability that can explain the latitude dependence of the temperature and amount effects despite making no distinction between high and low latitudes. Although our results are generally consistent with certain interpretations of the amount effect, they suggest that the temperature effect is widely misunderstood.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Enhancing the Representation of Subgrid Land Surface Characteristics in Land Surface Models

Land surface heterogeneity has long been recognized and increasingly incorporated in the land surface modelling. In most existing land surface models, the spatial variability of surface cover is represented as subgrid composition of multiple surface cover types. In this study, we developed a new subgrid classification method (SGC) that accounts for the topographic variability of the vegetation cover. Each model grid cell was represented with a number of elevation classes and each elevation class was further described by a number of vegetation types. The numbers of elevation classes and vegetation types were variable and optimized for each model grid so that the spatial variability of both elevation and vegetation can be reasonably explained given a pre-determined total number of classes. The subgrid structure of the Community Land Model (CLM) was used as an example to illustrate the newly developed method in this study. With similar computational burden as the current subgrid vegetation representation in CLM, the new method is able to explain at least 80% of the total subgrid PFTs and greatly reduced the variations of elevation within each subgrid class compared to the baseline method where a single elevation class is assigned to each subgrid PFT. The new method was also evaluated against two other subgrid methods (SGC1 and SGC2) that assigned fixed numbers of elevation and vegetation classes for each model grid with different perspectives of surface cover classification. Implemented at five model resolutions (0.1°, 0.25°, 0.5°, 1.0° and 2.0°) with three maximum-allowed total number of classes N_class of 24, 18 and 12 representing different computational burdens over the North America (NA) continent, the new method showed variable performances compared to the SGC1 and SGC2 methods. However, the advantage of the SGC method over the other two methods clearly emerged at coarser model resolutions and with moderate computational intensity (N_class = 18) as it explained the most PFTs and elevation variability among the three subgrid methods. Spatially, the SGC method explained more elevation variability in topography-complex areas and more vegetation variability in flat areas. Furthermore, the variability of both elevation and vegetation explained by the new method was more spatially homogeneous regardless of the model resolutions and computational burdens. The SGC method will be implemented in CLM over the NA continent to assess its impacts on simulating land surface processes.

characteristics↗

NASA NTRS2007

Partitioning of Pd Between Fe-S-C and Mantle Liquids at High Pressure and Temperature: Implications for Core Formation

One of the most elusive geochemical aspects of the early Earth has been explaining the near chondritic relative abundances of the highly siderophile elements (HSE; Au, Re and the platinum group elements) in Earth's primitive upper mantle (PUM). Perhaps they were delivered to the Earth after core formation, by late addition of carbonaceous chondrite material. However, the recognition that many moderately siderophile elements can be explained by high pressure and temperature (PT) metal-silicate equilibrium, leads to the question whether high PT equilibrium can also explain the HSE concentrations. Answers to this question have been slowed by experimental difficulties (nugget effect and very low solubilities). But two different perspectives have emerged from recent studies. One perspective is that D(M/S) for HSE at high PT are not low enough to explain terrestrial mantle depletions of these elements (for Pd and Pt). A second perspective is D(M/S) are reduced substantially at high PT and even low enough to explain terrestrial mantle depletions (for Au and Pt). Issues complicating interpretation of all experiments include use of MgO- and FeO-free silicate melts, and S-free and FeNi metal-free systems. In addition, conclusions for Pt rest on an interpretation that the tiny metallic nuggets plaguing many such experiments, were formed upon quench. There is not agreement on this issue, and the general question of HSE solubility at high PT remains unresolved

Righter, K.↗

NASA NTRS2013

Impact of the Dominant Large-scale Teleconnections on Winter Temperature Variability over East Asia

Monthly mean geopotential height for the past 33 DJF seasons archived in Modern Era Retrospective analysis for Research and Applications reanalysis is decomposed into the large-scale teleconnection patterns to explain their impacts on winter temperature variability over East Asia. Following Arctic Oscillation (AO) that explains the largest variance, East Atlantic/West Russia (EA/WR), West Pacific (WP) and El Nino-Southern Oscillation (ENSO) are identified as the first four leading modes that significantly explain East Asian winter temperature variation. While the northern part of East Asia north of 50N is prevailed by AO and EA/WR impacts, temperature in the midlatitudes (30N-50N), which include Mongolia, northeastern China, Shandong area, Korea, and Japan, is influenced by combined effect of the four leading teleconnections. ENSO impact on average over 33 winters is relatively weaker than the impact of the other three teleconnections. WP impact, which has received less attention than ENSO in earlier studies, characterizes winter temperatures over Korea, Japan, and central to southern China region south of 30N mainly by advective process from the Pacific. Upper level wave activity fluxes reveal that, for the AO case, the height and circulation anomalies affecting midlatitude East Asian winter temperature is mainly located at higher latitudes north of East Asia. Distribution of the fluxes also explains that the stationary wave train associated with EA/WR propagates southeastward from the western Russia, affecting the East Asian winter temperature. Investigation on the impact of each teleconnection for the selected years reveals that the most dominant teleconnection over East Asia is not the same at all years, indicating a great deal of interannual variability. Comparison in temperature anomaly distributions between observation and temperature anomaly constructed using the combined effect of four leading teleconnections clearly show a reasonable consistency between them, demonstrating that the seasonal winter temperature distributions over East Asia are substantially explained by these four large-scale circulation impacts.

El Nino-Southern Oscillation↗

DOE OSTI2025

Hyperspectral leaf reflectance of grasses varies with evolutionary lineage more than with site

Abstract To predict ecological responses at broad environmental scales, grass species are commonly grouped into two broad functional types based on photosynthetic pathway. However, closely related species may have distinctive anatomical and physiological attributes that influence ecological responses, beyond those related to photosynthetic pathway alone. Hyperspectral leaf reflectance can provide an integrated measure of covarying leaf traits that may result from phylogenetic trait conservatism and/or environmental conditions. Understanding whether spectra‐trait relationships are lineage specific or reflect environmental variation across sites is necessary for using hyperspectral reflectance to predict plant responses to environmental changes across spatial scales. We measured hyperspectral leaf reflectance (400–2400 nm) and 12 structural, biochemical, and physiological leaf traits from five grass‐dominated sites spanning the Great Plains of North America. We assessed if variation in leaf reflectance spectra among grass species is explained more by evolutionary lineage (as captured by tribes or subfamilies), photosynthetic pathway (C 3 or C 4 ), or site differences. We then determined whether leaf spectra can be used to predict leaf traits within and across lineages. Our results using redundancy analysis ordination (RDA) show that grass tribe identity explained more variation in leaf spectra (adjusted R 2 = 0.12) than photosynthetic pathway, which explained little variation in leaf spectra (adjusted R 2 = 0.00). Furthermore, leaf reflectance from the same tribe across multiple sites was more similar than leaf reflectance from the same site across tribes (adjusted R 2 = 0.12 and 0.08, respectively). Across all sites and species, trait predictions based on spectra ranged considerably in predictive accuracies ( R 2 = 0.65 to <0.01), but R 2 was >0.80 for certain lineages and sites. The relationship between Vc max , a measure of photosynthetic capacity, and spectra was particularly promising. Chloridoideae, a lineage more common at drier sites, appears to have distinct spectra‐trait relationships compared with other lineages. Overall, our results show that evolutionary relatedness explains more variation in grass leaf spectra than photosynthetic pathway or site, but consideration of lineage‐ and site‐specific trait relationships is needed to interpret spectral variation across large environmental gradients.

Pau, Stephanie [Department of Geography University↗

DOE OSTI2022

Degradation Reduces Microbial Richness and Alters Microbial Functions in an Australian Peatland

Abstract Peatland ecosystems cover only 3% of the world’s land area; however, they store one-third of the global soil carbon (C). Microbial communities are the main drivers of C decomposition in peatlands, yet we have limited knowledge of their structure and function. While the microbial communities in the Northern Hemisphere peatlands are well documented, we have limited understanding of microbial community composition and function in the Southern Hemisphere peatlands, especially in Australia. We investigated the vertical stratification of prokaryote and fungal communities from Wellington Plains peatland in the Australian Alps. Within the peatland complex, bog peat was sampled from the intact peatland and dried peat from the degraded peatland along a vertical soil depth gradient (i.e., acrotelm, mesotelm, and catotelm). We analyzed the prokaryote and fungal community structure, predicted functional profiles of prokaryotes using PICRUSt, and assigned soil fungal guilds using FUNGuild. We found that the structure and function of prokaryotes were vertically stratified in the intact bog. Soil carbon, manganese, nitrogen, lead, and sodium content best explained the prokaryote composition. Prokaryote richness was significantly higher in the intact bog acrotelm compared to degraded bog acrotelm. Fungal composition remained similar across the soil depth gradient; however, there was a considerable increase in saprotroph abundance and decrease in endophyte abundance along the vertical soil depth gradient. The abundance of saprotrophs and plant pathogens was two-fold higher in the degraded bog acrotelm. Soil manganese and nitrogen content, electrical conductivity, and water table level (cm) best explained the fungal composition. Our results demonstrate that both fungal and prokaryote communities are shaped by soil abiotic factors and that peatland degradation reduces microbial richness and alters microbial functions. Thus, current and future changes to the environmental conditions in these peatlands may lead to altered microbial community structures and associated functions which may have implications for broader ecosystem function changes in peatlands.

Environmental Sciences & Ecology↗

DOE OSTI2018

Microstructural effects in the simulation of creep of concrete

The influence of the microstructure on the visco-elastic properties of concrete is investigated using finite element simulations at the meso-scale. We first derive a constitutive law for the creep of the cement paste which accounts for both recoverable and permanent deformations, as well as the influence of temperature and internal relative humidity. The model is calibrated on a set of experiments at the cement paste scale, and then validated after upscaling to the concrete scale. The model is then applied to study the influence of the microstructure on the macroscopic creep of concrete. We show that materials with finer particles exhibit less creep, and that the anisotropy of creep can be explained with the shape and orientation of the aggregates. Furthermore, the acceleration of the stress relaxation in the presence of damage is explained by the micro-mechanical interaction between the aggregates, the cement paste, and the micro-cracks.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Development of photocatalyst by combined nitrogen and yttrium doping

Graphical abstract: The simulated compensated YN{sub SUB} co-doped TiO{sub 2} model can reasonably explain the experimental observations. Calculation results show that substitutional Y at Ti sites and substitutional N at O sites with an oxygen vacancy give stable configuration, reduced band gap, better visible light absorption and enhance separations of photoexcited charge carriers. The experimental observations confirmed the theoretical findings. - Highlights: • (Y, N) codoped TiO{sub 2} was synthesized by mild one pot hydrothermal method. • The Y doping concentration was varied from 0.01 to 1.38 at%. • 0.05% (Y, N) codoped TiO{sub 2} shows enhanced visible light photocatalytic activity. • Compensated and noncompensated ab-initio calculations were performed. • Calculation results reasonably explained the experimental findings. - Abstract: Titanium dioxide co-doped with yttrium and nitrogen with different yttrium doping concentration has been synthesized by mild one pot hydrothermal method without any post calcination for crystallization. Irrespective of the yttrium doping concentration, all the synthesized samples were composed of pure anatase phase with good crystallinity. And the synthesized co-doped samples have spherical morphology with uniform particle size distribution. The absorption edge of the co-doped TiO{sub 2} was shifted toward visible light region depicting that the intrinsic band gap of TiO{sub 2} was affected by the co-doping. Among the different samples, the co-doped sample with 0.05% yttrium doping concentration exhibits enhanced visible light photocatalytic activity by degradation of methylene blue in aqueous solution. Compensated and non-compensated yttrium–nitrogen co-doped TiO{sub 2} models were simulated using density functional theory to explain the experimental findings. The calculation results show that the compensated yttrium–nitrogen co-doped TiO{sub 2} model may reasonably explain the experimental observations due to its stable configuration, narrowed band gap and enhanced separation of photoexcited carriers.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Atomic Scale Studies of La/Sr Ordering in Colossal Magnetoresistant La 2-2x Sr 1+2x Mn 2 O 7 Single Crystals

To date, it is unclear whether chemical order (or disorder) is in any way connected to double exchange, electronic phase separation, or charge ordering (CO) in manganites. In this work, we carry out an atomic resolution study of the colossal magnetoresistant manganite La 2-2x Sr 1+2x Mn 2 O 7 (LSMO). We combine aberration-corrected electron microscopy and spectroscopy with spectroscopic image simulations, to analyze cation ordering at the atomic scale in real space in a number of LSMO single crystals. We compare three different compositions within the phase diagram: a ferromagnetic metallic material (x=0.36), an insulating, antiferromagnetic charge ordered (AF-CO) compound (x=0.5), which also exhibits orbital ordering, and an additional AF sample (x=0.56). Detailed image simulations are essential to accurately quantify the degree of chemical ordering of these samples. We find a significant degree of long-range chemical ordering in all cases, which increases in the AF-CO range. However, the degree of ordering is never complete nor can it explain the strongly correlated underlying ordering phenomena. Our results show that chemical ordering over distinct crystallographic sites is not needed for electronic ordering phenomena to appear in manganites, and cannot by itself explain the complex electronic behavior of LSMO.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Complex Dependence of Calcite Crack Kinetics on Salinity: The Role of DLVO and Hydration Forces

Abstract Subcritical crack growth (SCG) plays an important role in many geological processes such as delayed earth rupture and rock weathering. The complex dependency of SCG on the in‐crack fluid chemistry, however, is still poorly understood. In this study, we utilize the newly developed surface force‐based fracture theory (SFFT) to elucidate the relative contributions of surface forces and solute transport to the crack growth kinetics of calcite in NaCl solutions. Expanding on Barenblatt's cohesive crack model, SFFT introduces an effective stress intensity at the crack tip that encompasses all the relevant intermolecular forces across the crack in addition to the external far‐field stresses. The nonlinear system of equations portraying the crack opening profile, the solute distribution in a propagating crack, and the crack growth velocity are numerically solved via an implicit scheme. After carefully calibrating the model for calcite‐water systems, the SFFT is used to predict the SCG response of calcite at different NaCl concentrations, based on various hypotheses. These predictions are then compared to existing SCG data from the literature. We demonstrate that the experimentally observed variation of SCG rate with NaCl concentration cannot be explained solely by DLVO forces (electrostatic and Van der Waals interactions). This can be remediated by introducing an exponentially decaying hydration force with a nonlinear, nonmonotonic dependence on NaCl concentration. Furthermore, we demonstrate that accounting for both diffusive and advective transport of ions is important in explaining the absence of a stage‐II SCG response for calcite in electrolyte solutions. Plain Language Summary Subcritical crack growth (SCG) refers to the slow propagation of cracks in materials under a stress below the threshold for catastrophic failure. SCG is a key process in many geological events, for example, delayed earth ruptures and rock weathering. New initiatives such as underground CO 2 and H 2 storage in carbonate reservoirs further call for better understanding of SCG in carbonate minerals subjected to varying fluid chemistry. This study examines the SCG of calcite, a key mineral found in carbonate rocks, intergranular cement in sandstones, and filling material in mineral veins and faults, determining their deformation and strength. A mathematical model is developed to describe how the crack opens and propagates, how solutes (like salts) distribute within the crack, and how the crack surfaces interact with each other. We used the model to predict calcite SCG in water at different salt concentrations and compared it with experimental data. Our results revealed that the hydration force is the dominating factor in determining the complex, non‐linear dependency of SCG on salinity. We also found that both the movement of ions by diffusion and by bulk water flow are crucial for explaining the SCG rates, especially when the cracks grow quickly. Key Points Surface Force‐Based Fracture Theory predicts the complex subcritical crack growth patterns of calcite crystals immersed in NaCl solutions Results highlight the dominant role of hydration forces in altering the fracture behavior of calcite compared to VdW and electric double‐layer forces Advective solute transport explains the absence of stages‐II and ‐III subcritical crack growth responses in solid‐liquid systems

DLVO↗

DOE OSTI2025

Environmental Controls on Water Vapor Deuterium Excess in the Coastal Boundary Layer: An Information Theory Perspective

We use information theory to quantify the environmental controls on water vapor deuterium excess (D-excess) in coastal Southern California from June 2023 through February 2024. Using Shannon entropy, mutual information (MI), and joint mutual information, metrics that capture both linear and nonlinear relationships, we identify the most informative variables and variable combinations governing D-excess across contrasting marine and continental regimes. Relative humidity with respect to sea surface temperature (RHS) is consistently the strongest individual predictor, explaining up to 27% of D-excess variability during marine conditions but only 10% in continental air masses. The Relative humidity(RHS) + sea surface temperature (SST) combination demonstrates synergistic effects, where their joint influence (explaining up to 36% of D-excess variability) exceeds what either variable achieves individually, confirming their coupled influence on deuterium excess. Wind direction complements RHS most effectively during continental conditions. The best three-variable combination (RHS + SST + Planetary Boundary Layer height) explains 38% of D-excess variability in marine air, while no combination exceeds 20% explanatory power during continental periods. Information theory shows that heteroscedasticity in D-excess relationships indicates regime shifts in controlling processes and quantifies fundamental constraints on predictor variables: some environmental factors like surface pressure or water vapor flux contain insufficient information content to explain D-excess variability regardless of their physical relevance. These results highlight the different predictability limits between marine and continental regimes, challenging the adequacy of linear models and providing a rigorous framework for quantifying the information content of isotope-climate relationships with implications for both modern and paleoclimate applications.

information theory↗

DOE OSTI2012

Numerical modeling of the solar wind flow with observational boundary conditions

In this paper we describe our group efforts to develop a self-consistent, data-drivenmodel of the solar wind (SW) interaction with the local interstellar medium. The motion of plasma in this model is described with the MHD approach, while the transport of neutral atoms is addressed by either kinetic or multi-fluid equations. The model and its implementation in the Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) are continuously tested and validated by comparing our results with other models and spacecraft measurements. In particular, it was successfully applied to explain an unusual SW behavior discovered by the Voyager 1 spacecraft, i.e., the development of a substantial negative radial velocity component, flow turning in the transverse direction, while the latitudinal velocity component goes to very small values. We explain recent SW velocity measurements at Voyager 1 in the context of our 3-D, MHD modeling. We also present a comparison of different turbulence models in their ability to reproduce the SW temperature profile from Voyager 2 measurements. The boundary conditions obtained at 50 solar radii from data-driven numerical simulations are used to model a CME event throughout the heliosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Intrinsic momentum generation by a combined neoclassical and turbulence mechanism in diverted DIII-D plasma edge

Fluid Reynolds stress from turbulence has usually been considered to be responsible for the anomalous toroidal momentum transport in tokamak plasma. Experiment by Müller et al. [Phys. Rev. Lett. 106, 115001 (2011)], however, reported that neither the observed edge rotation profile nor the inward momentum transport phenomenon at the edge region of an H-mode plasma could be explained by the fluid Reynolds stress measured with reciprocating Langmuir-probe. The full-function gyrokinetic code XGC1 is used to explain, for the first time, Müller et al.'s experimental observations. It is discovered that, unlike in the plasma core, the fluid Reynolds stress from turbulence is not sufficient for momentum transport physics in plasma edge. The “turbulent neoclassical” physics arising from the interaction between kinetic neoclassical orbit dynamics and plasma turbulence is key in the tokamak edge region across the plasma pedestal into core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Non-linear plasma wake growth of electron holes

We report that an object's wake in a plasma with small Debye length that drifts across the magnetic field is subject to electrostatic electron instabilities. Such situations include, for example, the moon in the solar wind and probes in magnetized laboratory plasmas. The instability drive mechanism can equivalently be considered drift down the potential-energy gradient or drift up the density-gradient. The gradients arise because the plasma wake has a region of depressed density and electrostatic potential into which ions are attracted along the field. The non-linear consequences of the instability are analysed in this paper. At physical ratios of electron to ion mass, neither linear nor quasilinear treatment can explain the observation of large-amplitude perturbations that disrupt the ion streams well before they become ion-ion unstable. Here we show, however, that electron holes, once formed, continue to grow, driven by the drift mechanism, and if they remain in the wake may reach a maximum non-linearly stable size, beyond which their uncontrolled growth disrupts the ions. The hole growth calculations provide a quantitative prediction of hole profile and size evolution. Hole growth appears to explain the observations of recent particle-in-cell simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

The influence of hydrogen on the chemical, mechanical, optical/electronic, and electrical transport properties of amorphous hydrogenated boron carbide

Because of its high electrical resistivity, low dielectric constant (κ), high thermal neutron capture cross section, and robust chemical, thermal, and mechanical properties, amorphous hydrogenated boron carbide (a-B{sub x}C:H{sub y}) has garnered interest as a material for low-κ dielectric and solid-state neutron detection applications. Herein, we investigate the relationships between chemical structure (atomic concentration B, C, H, and O), physical/mechanical properties (density, porosity, hardness, and Young's modulus), electronic structure [band gap, Urbach energy (E{sub U}), and Tauc parameter (B{sup 1/2})], optical/dielectric properties (frequency-dependent dielectric constant), and electrical transport properties (resistivity and leakage current) through the analysis of a large series of a-B{sub x}C:H{sub y} thin films grown by plasma-enhanced chemical vapor deposition from ortho-carborane. The resulting films exhibit a wide range of properties including H concentration from 10% to 45%, density from 0.9 to 2.3 g/cm{sup 3}, Young's modulus from 10 to 340 GPa, band gap from 1.7 to 3.8 eV, Urbach energy from 0.1 to 0.7 eV, dielectric constant from 3.1 to 7.6, and electrical resistivity from 10{sup 10} to 10{sup 15} Ω cm. Hydrogen concentration is found to correlate directly with thin-film density, and both are used to map and explain the other material properties. Hardness and Young's modulus exhibit a direct power law relationship with density above ∼1.3 g/cm{sup 3} (or below ∼35% H), below which they plateau, providing evidence for a rigidity percolation threshold. An increase in band gap and decrease in dielectric constant with increasing H concentration are explained by a decrease in network connectivity as well as mass/electron density. An increase in disorder, as measured by the parameters E{sub U} and B{sup 1/2}, with increasing H concentration is explained by the release of strain in the network and associated decrease in structural disorder. All of these correlations in a-B{sub x}C:H{sub y} are found to be very similar to those observed in amorphous hydrogenated silicon (a-Si:H), which suggests parallels between the influence of hydrogenation on their material properties and possible avenues for optimization. Finally, an increase in electrical resistivity with increasing H at <35 at. % H concentration is explained, not by disorder as in a-Si:H, but rather by a lower rate of hopping associated with a lower density of sites, assuming a variable range hopping mechanism interpreted in the framework of percolation theory.

36 MATERIALS SCIENCE↗

DOE OSTI2016

High fidelity simulation and analysis of liquid jet atomization in a gaseous crossflow at intermediate Weber numbers

Recent advances in numerical methods coupled with the substantial enhancements in computing power and the advent of high performance computing have presented first principle, high fidelity simulation as a viable tool in the prediction and analysis of spray atomization processes. The credibility and potential impact of such simulations, however, has been hampered by the relative absence of detailed validation against experimental evidence. The numerical stability and accuracy challenges arising from the need to simulate the high liquid-gas density ratio across the sharp interfaces encountered in these flows are key reasons for this. In this work we challenge this status quo by presenting a numerical model able to deal with these challenges, employing it in simulations of liquid jet in crossflow atomization and performing extensive validation of its results against a carefully executed experiment with detailed measurements in the atomization region. We then proceed to the detailed analysis of the flow physics. The computational model employs the coupled level set and volume of fluid approach to directly capture the spatiotemporal evolution of the liquid-gas interface and the sharp-interface ghost fluid method to stably handle high liquid-air density ratio. Adaptive mesh refinement and Lagrangian droplet models are shown to be viable options for computational cost reduction. Moreover, high performance computing is leveraged to manage the computational cost. The experiment selected for validation eliminates the impact of inlet liquid and gas turbulence and focuses on the impact of the crossflow aerodynamic forces on the atomization physics. Validation is demonstrated by comparing column surface wavelengths, deformation, breakup locations, column trajectories and droplet sizes, velocities, and mass rates for a range of intermediate Weber numbers. Analysis of the physics is performed in terms of the instability and breakup characteristics and the features of downstream flow recirculation, and vortex shedding. Formation of “Λ” shape windward column waves is observed and explained by the combined upward and lateral surface motion. The existence of Rayleigh-Taylor instability as the primary mechanism for the windward column waves is verified for this case by comparing wavelengths from the simulations to those predicted by linear stability analyses. Physical arguments are employed to postulate that the type of instability manifested may be related to conditions such as the gas Weber number and the inlet turbulence level. The decreased column wavelength with increasing Weber number is found to cause enhanced surface stripping and early depletion of liquid core at higher Weber number. A peculiar “three-streak-two-membrane” liquid structure is identified at the lowest Weber number and explained as the consequence of the symmetric recirculation zones behind the jet column. It is found that the vortical flow downstream of the liquid column resembles a von Karman vortex street and that the coupling between the gas flow and droplet transport is weak for the conditions explored.

42 ENGINEERING↗

DOE OSTI2016

Relative influence of meteorological conditions and aerosols on the lifetime of mesoscale convective systems

Using collocated measurements from geostationary and polar-orbital satellites over tropical continents, in this paper we provide a large-scale statistical assessment of the relative influence of aerosols and meteorological conditions on the lifetime of mesoscale convective systems (MCSs). Our results show that MCSs’ lifetime increases by 3–24 h when vertical wind shear (VWS) and convective available potential energy (CAPE) are moderate to high and ambient aerosol optical depth (AOD) increases by 1 SD (1σ). However, this influence is not as strong as that of CAPE, relative humidity, and VWS, which increase MCSs’ lifetime by 3–30 h, 3–27 h, and 3–30 h per 1σ of these variables and explain up to 36%, 45%, and 34%, respectively, of the variance of the MCSs’ lifetime. AOD explains up to 24% of the total variance of MCSs’ lifetime during the decay phase. This result is physically consistent with that of the variation of the MCSs’ ice water content (IWC) with aerosols, which accounts for 35% and 27% of the total variance of the IWC in convective cores and anvil, respectively, during the decay phase. The effect of aerosols on MCSs’ lifetime varies between different continents. AOD appears to explain up to 20–22% of the total variance of MCSs’ lifetime over equatorial South America compared with 8% over equatorial Africa. Aerosols over the Indian Ocean can explain 20% of total variance of MCSs’ lifetime over South Asia because such MCSs form and develop over the ocean. Finally, these regional differences of aerosol impacts may be linked to different meteorological conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

The impact of optical measurement techniques on measured aerosol particle size distributions

Ambient aerosol particle size distributions measured by the Ultra-High Sensitivity Aerosol Spectrometer (UHSAS) at various sites around the world exhibit modes at optical diameters near 600 nm and 850 nm. These modes are not present in concurrent measurements with the Grimm 11-D Optical Particle Counter (OPC). Here, in this study, we argue that these modes result from the optical measurement technique itself, and we explain why they appear in measurements by the UHSAS but not in those by the Grimm OPC. We construct computer models of the UHSAS and Grimm (“digital UHSAS” and “digital Grimm”) and use these to investigate the size distribution that would result from measurements of artificial aerosol particle size distributions that do not contain modes. The appearance of modes for the structureless incoming size distributions sampled by the digital UHSAS is explained by the nonlinear behavior of partial scattering cross sections of uniform spherical particles as a function of their diameter. The absence of modes in the digital Grimm is explained by the coarser size resolution of that instrument. Detailed analysis of the relationship between optical and geometric diameters for uniform spherical particles reveals two important results. First, these diameters generally have different numerical values for the same particle, and second, the relationship is nonlinear; thus, widths of size bins in terms of optical diameter differ from those in geometric diameter. These results explain the modes observed in the ambient size distributions and highlight concerns with attempts to create a merged size distribution by combining measurements from different instruments.

54 ENVIRONMENTAL SCIENCES↗