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At least 199 records · Page 11

Two key features influencing community assembly processes at regional scale: Initial state and degree of change in environmental conditions

Belowground microbial communities strongly influence ecosystem function such that predicting function may rely on understanding ecological processes that assemble communities. Uncertainty remains, however, in what governs the relative contributions of different ecological processes. To help fill this knowledge gap we test the general hypothesis that both initial state and degree of change in environmental conditions govern the relative contributions of different ecological assembly processes. To do so we leveraged regional-scale nutrient and organic matter addition experiments and used soil organic matter (SOM) as a proxy of integrated soil environmental conditions. Consistent with our hypothesis, we found that both the initial amount of SOM and the degree of change in SOM—in response to nutrient addition—influenced the relative contributions of different ecological assembly processes. These influences were most clearly observed at the regional scale, suggesting potential scale dependence. More specifically, nutrient additions homogenized bacterial community composition due to enhanced influences of homogenizing dispersal when SOM content was initially high. In contrast, nutrient additions led to divergence in community composition due to variable selection when initial SOM was low and/or when SOM increased significantly in response to nutrient additions. Our findings indicate important connections among initial conditions, degree of change in environmental variables, and microbial community assembly processes that may influence ecosystem processes. These conceptual inferences highlight a need to strengthen connections between ecological theory and biogeochemical modeling.

Feng, Youzhi↗

Combining scaling relationships overcomes rate vs. overpotential tradeoffs in O2 molecular electrocatalysis

The development of advanced chemical-to-electrical energy conversions requires fast and efficient electrocatalysis of multi-electron/multi-proton reactions, such as the oxygen reduction reaction 10 (ORR). Using molecular catalysts, correlations between the reaction rate and energy efficiency have recently been identified. Improved catalysis requires circumventing the rate vs. overpotential tradeoffs implied by such ‘scaling relationships.’ Described here is an ORR system—using a soluble iron-porphyrin and weak acids—with the best reported combination of rate and efficiency for a soluble ORR catalyst. This advance is achieved not by “breaking” scaling relationships but 15 rather by combining two of them. Key to this behavior is a polycationic ligand, which enhances anionic ligand binding and changes the catalyst E1/2. These results show how combining scaling relationships is powerful way towards improved electrocatalysis.

Martin, Daniel J.↗

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys

Ab initio electronic-structure has remained dichotomous between achievable accuracy and length-scale. Quantum many-body (QMB) methods realize quantum accuracy but fail to scale. Density functional theory (DFT) scales favorably but remains far from quantum accuracy. We present a framework that breaks this dichotomy by use of three interconnected modules: (i) invDFT: a methodological advance in inverse DFT linking QMB methods to DFT; (ii) MLXC: a machine-learned density functional trained with invDFT data, commensurate with quantum accuracy; (iii) DFT-FE-MLXC: an adaptive higher-order spectral finite-element (FE) based DFT implementation that integrates MLXC with efficient solver strategies and HPC innovations in FE-specific dense linear algebra, mixed-precision algorithms, and asynchronous compute-communication. Furthermore, we demonstrate a paradigm shift in DFT that not only provides an accuracy commensurate with QMB methods in ground-state energies, but also attains an unprecedented performance of 659.7 PFLOPS (43.1% peak FP64 performance) on 619,124 electrons using 8,000 GPU nodes of Frontier supercomputer.

density functional theory↗

Upscaling of U(VI) Desorption and Transport from Decimeter-Scale Heterogeneity to Plume-Scale Modeling

Scientifically defensible predictions of field scale U(VI) transport in groundwater requires an understanding of key processes at multiple scales. These scales range from smaller than the sediment grain scale (less than 10 μm) to as large as the field scale which can extend over several kilometers. The key processes that need to be considered include both geochemical reactions in solution and at sediment surfaces as well as physical transport processes including advection, dispersion, and pore-scale diffusion. The research summarized in this report includes both experimental and modeling results in batch, column and tracer tests. The objectives of this research were to: (1) quantify the rates of U(VI) desorption from sediments acquired from a uranium contaminated aquifer in batch experiments;(2) quantify rates of U(VI) desorption in column experiments with variable chemical conditions, and(3) quantify nonreactive tracer and U(VI) transport in field tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Structural Design of a 1/5th Scale Gravo-Aeroelastically Scaled Wind Turbine Demonstrator Blade for Field Testing

This paper presents the structural design of a 21-meter 1/5th scale SUMR demonstrator (SUMR-D) blade, which was designed to replicate the full-scale behavior of a 104-meter SUMR13 initial blade rated at 13.2 MW. This is a challenging structural design as two competing objectives were required including the traditional safety objectives and novel scaling objectives based on gravo-aeroelastic scaling (GAS) requirements. To satisfy the two competing requirements, the spar cap, shear webs and materials were optimized while also ensuring a manufacturable and cost-effective design solution. Based on the wind turbine operating conditions of the test site, which is the NWTC, the blade was analyzed under the extreme loading case and corresponding safety factors were applied. The final blade model had an acceptable maximum strain, buckling performance, and displayed a safe level of deflection under the extreme loading condition. The flutter speed and fatigue life of the blade were also vetted. The mode shape was analyzed for the installation of the blade sensors. This paper documents the structural design process of SUMR-D to achieve both the safety and scaling objectives. At the end, we provide an acceptable solution to control blade mass, limiting the blade deflection, blade max strain and buckling under extreme loading condition by optimizing spar cap, shear web, and core materials while satisfying scaling requirements.

17 WIND ENERGY↗

A PORTRAIT OF COLD GAS IN GALAXIES AT 60 pc RESOLUTION AND A SIMPLE METHOD TO TEST HYPOTHESES THAT LINK SMALL-SCALE ISM STRUCTURE TO GALAXY-SCALE PROCESSES

The cloud-scale density, velocity dispersion, and gravitational boundedness of the interstellar medium (ISM) vary within and among galaxies. In turbulent models, these properties play key roles in the ability of gas to form stars. New high-fidelity, high-resolution surveys offer the prospect to measure these quantities across galaxies. We present a simple approach to make such measurements and to test hypotheses that link small-scale gas structure to star formation and galactic environment. Our calculations capture the key physics of the Larson scaling relations, and we show good correspondence between our approach and a traditional “cloud properties” treatment. However, we argue that our method is preferable in many cases because of its simple, reproducible characterization of all emission. Using, low- J {sup 12}CO data from recent surveys, we characterize the molecular ISM at 60 pc resolution in the Antennae, the Large Magellanic Cloud (LMC), M31, M33, M51, and M74. We report the distributions of surface density, velocity dispersion, and gravitational boundedness at 60 pc scales and show galaxy-to-galaxy and intragalaxy variations in each. The distribution of flux as a function of surface density appears roughly lognormal with a 1 σ width of ∼0.3 dex, though the center of this distribution varies from galaxy to galaxy. The 60 pc resolution line width and molecular gas surface density correlate well, which is a fundamental behavior expected for virialized or free-falling gas. Varying the measurement scale for the LMC and M31, we show that the molecular ISM has higher surface densities, lower line widths, and more self-gravity at smaller scales.

79 ASTRONOMY AND ASTROPHYSICS↗

Large-scale vertical velocity, diabatic heating and drying profiles associated with seasonal and diurnal variations of convective systems observed in the GoAmazon2014/5 experiment

This study describes the characteristics of large-scale vertical velocity, apparent heating source ( Q 1 ) and apparent moisture sink ( Q 2 ) profiles associated with seasonal and diurnal variations of convective systems observed during the two intensive operational periods (IOPs) that were conducted from 15 February to 26 March 2014 (wet season) and from 1 September to 10 October 2014 (dry season) near Manaus, Brazil, during the Green Ocean Amazon (GoAmazon2014/5) experiment. The derived large-scale fields have large diurnal variations according to convective activity in the GoAmazon region and the morning profiles show distinct differences between the dry and wet seasons. In the wet season, propagating convective systems originating far from the GoAmazon region are often seen in the early morning, while in the dry season they are rarely observed. Afternoon convective systems due to solar heating are frequently seen in both seasons. Accordingly, in the morning, there is strong upward motion and associated heating and drying throughout the entire troposphere in the wet season, which is limited to lower levels in the dry season. In the afternoon, both seasons exhibit weak heating and strong moistening in the boundary layer related to the vertical convergence of eddy fluxes. A set of case studies of three typical types of convective systems occurring in Amazonia – i.e., locally occurring systems, coastal-occurring systems and basin-occurring systems – is also conducted to investigate the variability of the large-scale environment with different types of convective systems.

54 ENVIRONMENTAL SCIENCES↗

Correlation of full-scale helicopter rotor performance in air with model-scale Freon data

An investigation was conducted in a transonic dynamics tunnel to measure the performance of a 1/5 scale model helicopter rotor in a Freon atmosphere. Comparisons were made between these data and full scale data obtained in air. Both the model and full scale tests were conducted at advance ratios between 0.30 and 0.40 and advancing tip Mach numbers between 0.79 and 0.95. Results show that correlation of model scale rotor performance data obtained in Freon with full scale rotor performance data in air is good with regard to data trends. Mach number effects were found to be essentially the same for the model rotor performance data obtained in Freon and the full scale rotor performance data obtained in air. It was determined that Reynolds number effects may be of the same magnitude or smaller than rotor solidity effects or blade elastic modeling in rotor aerodynamic performance testing.

Yeager, W. T., Jr.↗

Aerodynamic characteristics of three helicopter rotor airfoil sections at Reynolds number from model scale to full scale at Mach numbers from 0.35 to 0.90

An investigation was conducted in the Langely 6 by 28 inch transonic tunnel to determine the two dimensional aerodynamic characteristics of three helicopter rotor airfoils at Reynolds numbers from typical model scale to full scale at Mach numbers from about 0.35 to 0.90. The model scale Reynolds numbers ranged from about 700,00 to 1,500,000 and the full scale Reynolds numbers ranged from about 3,000,000 to 6,600,000. The airfoils tested were the NACA 0012 (0 deg Tab), the SC 1095 R8, and the SC 1095. Both the SC 1095 and the SC 1095 R8 airfoils had trailing edge tabs. The results of this investigation indicate that Reynolds number effects can be significant on the maximum normal force coefficient and all drag related parameters; namely, drag at zero normal force, maximum normal force drag ratio, and drag divergence Mach number. The increments in these parameters at a given Mach number owing to the model scale to full scale Reynolds number change are different for each of the airfoils.

Noonan, K. W.↗

Comparison of full-scale, small-scale, and CFD results for F/A-18 forebody slot blowing

It has been shown experimentally that forebody flow control devices provide a significant increase in yaw control for fighter aircraft at high angle-of-attack. This study presents comparisons of the various experimental and computational results for tangential slot blowing on the F/A-18 configuration. Experimental results are from the full-scale and 6 percent-scale model test and computational solutions are from both isolated forebody and and full aircraft configurations. The emphasis is on identifying trends in the variation of yawing moment with blowing-slot exit conditions. None of the traditional parameters (mass flow ratio, blowing momentum coefficient, velocity ratio) succeeded in collapsing all of the results into a common curve. Several factors may effect the agreement between the 6 percent- and full-scale results including Reynolds number effects, sensitivity of boundary layer transition from laminar to turbulent flow, and poor geometric fidelity, particularly of the blowing slot. The disagreement between the full-scale and computed yawing moments may be due to a mismatch in the slot exit conditions for the same mass flow ratio or aircraft configuration modeling. The general behavior of slot blowing on the 6 percent-scale and computational models is correct, but neither matches the full-scale results.

Lanser, Wendy R.↗

Alignment and Scaling of Large-Scale Fluctuations in Solar Wind Turbulence

We investigate the dependence of solar wind fluctuations measured by the Wind spacecraft on scale and on the degree of alignment between oppositely directed Elsasser fields. This alignment controls the strength of the non-linear interactions and, therefore, the turbulence. We find that at scales larger than the outer scale of the turbulence the Elsasser fluctuations become on average more anti-aligned as the outer scale is approached from above. Conditioning their structure functions using the alignment angle reveals turbulent scaling of unaligned fluctuations at scales previously believed to lie outside the turbulent cascade in the '1/f range'. We argue that the 1/f range contains a mixture of non-interacting anti-aligned population of Alfven waves and magnetic force-free structures plus a subdominant population of unaligned cascading turbulent fluctuations.

Wicks, R. T.↗

Comparative Study of Laboratory-Scale and Prototypic Production-Scale Fuel Fabrication Processes and Product Characteristics

An objective of the High Temperature Gas Reactor fuel development and qualification program for the United States Department of Energy has been to qualify fuel fabricated in prototypic production-scale equipment. The quality and characteristics of the tristructural isotropic coatings on fuel kernels are influenced by the equipment scale and processing parameters. Some characteristics affecting product quality were suppressed while others have become more significant in the larger equipment. Changes to the composition and method of producing resinated graphite matrix material has eliminated the use of hazardous, flammable liquids and enabled it to be procured as a vendor-supplied feed stock. A new method of overcoating TRISO particles with the resinated graphite matrix eliminates the use of hazardous, flammable liquids, produces highly spherical particles with a narrow size distribution, and attains product yields in excess of 99%. Compact fabrication processes have been scaled-up and automated with relatively minor changes to compact quality to manual laboratory-scale processes. The impact on statistical variability of the processes and the products as equipment was scaled are discussed. The prototypic production-scale processes produce test fuels that meet fuel quality specifications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Urban-scale Energy Modeling: Scaling Beyond Tax Assessor Data

In an attempt to attain building-specific characteristics for urban-scale building energy models, county-specific tax assessors’ data is often an initial data source. This data source can contain valuable information such as year built, area, height, HVAC type, and roof/wall descriptions.We will show examples of 2,000 fields from Hamilton County in Tennessee with examples of many fields which are not relevant to urban-scale building energy modeling, are incorrect compared to other data sources, and highlight some lessons learned working with such a data source.There are currently 3,142 counties in the United States, each with their own data format, field definitions, and data access policy. As urban-scale involves city-scale analysis potentially covering multiple counties and matures toward state- or nation-scale analysis, county-by-county approaches are not scalable. While there are efforts to unify these datasets, there is an increasing proliferation of data and algorithms that can cover wider areas and provide more accurate inputs for urban-scale models. This paper summarizes computer vision of imagery, cartographic layers, building type assessment, and model generation used to achieve scalable detection and analysis of buildings.

New, Joshua↗

Length scale effects of micro- and meso-scale tensile tests of unirradiated and irradiated Zircaloy-4 cladding

Zircaloy-4 is an essential material for cladding structures within fission-based reactors. To explore the changes in properties measured on differing length scales, FIB-machined micro-scale tensile tests were performed on both irradiated and control groups of Zircaloy-4. This was correlated with tensile testing on femtosecond laser-machined meso-scale specimens. Pronounced size effects were found when varying specimen geometry. Increases in tensile geometry size were associated with a reduction in measured yield stress for both irradiated and unirradiated samples. Here, meso-scale testing found strength and strain values similar to that of bulk-scale testing.

36 MATERIALS SCIENCE↗

Evaluation of convergence behavior of metamodeling techniques for bridging scales in multi-scale multimaterial simulation

The effectiveness of several metamodeling techniques, viz. the Polynomial Stochastic Collocation method, Adaptive Stochastic Collocation method, a Radial Basis Function Neural Network, a Kriging Method and a Dynamic Kriging Method is evaluated. This is done with the express purpose of using metamodels to bridge scales between micro- and macro-scale models in a multi-scale multimaterial simulation. The rate of convergence of the error when used to reconstruct hypersurfaces of known functions is studied. For sufficiently large number of training points, Stochastic Collocation methods generally converge faster than the other metamodeling techniques, while the DKG method converges faster when the number of input points is less than 100 in a two-dimensional parameter space. Because the input points correspond to computationally expensive micro/meso-scale computations, the DKG is favored for bridging scales in a multi-scale solver.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Harmonizing solar induced fluorescence across spatial scales, instruments, and extraction methods using proximal and airborne remote sensing: A multi-scale study in a soybean field

Solar-induced chlorophyll fluorescence (SIF) has been widely used to track vegetation photosynthesis at different scales ranging from in-situ measurements to satellite products. Airborne platforms sample SIF data at a spatial scale intermediate between in-situ and satellite, matching that of ground measurement (e.g. flux tower footprints and other field sampling), enabling us to explore causes of SIF variation and validate satellite-based SIF products. However, harmonizing SIF across sensors and platforms (correcting for systematic errors to yield a consistent, comparable SIF product) is challenging because SIF can be retrieved in different absorption windows, with different instruments and methods complicating the comparison between different observational levels (i.e., ground, airborne, satellites) and between sites equipped with different instruments with varying optical properties (spectral resolution and sampling intervals, spatial resolution). Additionally, the spatial and temporal variability of atmospheric properties can influence the retrieval of the weak SIF signal. Because of these complications, direct comparisons of airborne and ground SIF across scales are rarely attempted. Here, in this study, we combined airborne SIF data with simultaneous ‘ground truth’ data collected by stationary and mobile platforms in a soybean field in Nebraska, USA. In this effort, we tested several SIF extraction methods, including Fraunhofer Line Discrimination (FLD), improved Fraunhofer Line Discrimination (iFLD), Spectral Fitting Method (SFM), SpecFit, and a Singular Vector Decomposition (SVD) method. The SpecFit method was sensitive to the 715–740 nm water bands and removing the water bands in the fitting process yielded better agreement between the airborne and ground SIF spectra. Accurate estimation of the ground level downwelling irradiance obtained by ground measurements over a calibration target improved agreement between airborne and ground SIF retrievals at the O 2 A band, and allowed us to derive a SIF dataset with improved agreement across platforms and sampling scales. This experimental approach provided a method for generating comparable SIF signals across instruments, methods and platforms, which is critical to understanding the SIF-GPP relationship at different scales and to cross-validate the diversity of platforms used for satellite products calibration and validation.

54 ENVIRONMENTAL SCIENCES↗

Gyrokinetic turbulence cascade via predator-prey interactions between different scales

Gyrokinetic simulations in a closed fieldline geometry are presented to explore the physics of nonlinear transfer in plasma turbulence. As spontaneously formed zonal flows and small-scale turbulence demonstrate “predator-prey” dynamics, a particular cascade spectrum emerges. The electrostatic potential and the density spectra appear to be in good agreement with the simple theoretical prediction based on Charney-Hasegawa-Mima equation | ϕ{sup ~}{sub k} |{sup 2}∼| n{sup ~}{sub k} |{sup 2}∝k{sup −3}/(1+k{sup 2}){sup 2}, with the spectra becoming anisotropic at small scales. The results indicate that the disparate scale interactions, in particular, the refraction and shearing of larger scale eddies by the self-consistent zonal flows, dominate over local interactions, and contrary to the common wisdom, the comprehensive scaling relation is created even within the energy injection region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗