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At least 1,099 records · Page 61

Mid-Atlantic Turbulence Intensity Data in Observational Space

The dataset archives observed and model-simulated turbulence intensity and meteorological profiles and timeseries at the Air-Sea Interaction Tower (ASIT) of Woods Hole Oceanographic Institution’s Martha’s Vineyard Coastal Observatory (MVCO). The observational data were measured by lidar and buoy deployed at ASIT. The simulated profiles and timeseries data are interpolated in time and/or space according to observations. Simulations were carried out for the mid-Atlantic region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles at the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing.

17 WIND ENERGY↗

Northern Pacific Turbulence Intensity Model Data

The dataset is a subset of simulations carried out for the northern Pacific region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles near the lidar buoys deployed off the coast of California (Humbolt and Morro Bay) are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing. Simulations are performed from November to December in 2020 and May through June in 2021. Model outputs every 10 minutes, permitting comparison with corresponding lidar observations.

17 WIND ENERGY↗

Northern Pacific Turbulence Intensity Model Data in Observational Space

The dataset archives model-simulated turbulence intensity and meteorological profiles and timeseries at the lidar buoys sites off the coast of California (Humboldt and Morro Bay). The simulated data are interpolated in time and/or space according to observed quantities. The simulations were carried out for the north Pacific region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles near the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing.

17 WIND ENERGY↗

Quantifying the impact of operating temperature on cracking in battery electrodes, using super-resolution of microscopy images and stereology

There are numerous factors that can have an impact on the degradation behavior of batteries, such as the number of recharge cycles or the charge rate. Here, we investigate the influence of operating temperature on the structural degradation of the microstructure in lithium-ion positive electrodes. For that purpose, the microstructure is characterized for cathodes which have been cycled for 200 cycles under 6C (10-minute) charging at different operating temperatures, namely, 20°C, 30°C, 40°C, and 50°C. For each operating condition scanning electron microscopy (SEM) images of cross-sectioned Li x Ni 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) electrodes have been analyzed, to determine structural descriptors such as global particle porosity, crack size/length/width distribution, and porosity and specific surface area distribution of individual particles. Additionally, a stereological method has been deployed to investigate the local particle porosity as a function of distance to the particle center. Results show that particle porosity increases with increasing cycling temperature. Particle porosity is greatest at the particle center and decreases along the particle radius to the exterior. Particle surface area is similar across the four cycling-temperature aging conditions.

25 ENERGY STORAGE↗

Connection Between Mass Flux Transport and Eddy Diffusivity in Convective Atmospheric Boundary Layers

Turbulence parameterizations for convective boundary layer in coarse-scale atmospheric models usually consider a combination of the eddy-diffusive transport and a non-local transport, typically in the form of a mass flux term, such as the widely adopted eddy-diffusivity mass-flux (EDMF) approach. These two types of turbulent transport are generally considered to be independent of each other. Using results from large-eddy simulations, here, we show that a Taylor series expansion of the updraft and downdraft mass-flux transport can be used to approximate the eddy-diffusivity transport in the atmospheric surface layer and the lower part of the mixed layer, connecting both eddy-diffusivity and mass-flux transport theories in convective conditions, which also quantifies departure from the Monin-Obukhov similarity (MOS) in the surface layer. This study provides a theoretical support for a unified EDMF parameterization applied to both the surface layer and mixed layer and highlights important correction required for surface models relying on MOS

54 ENVIRONMENTAL SCIENCES↗

A review of in situ/operando studies of heterogeneous catalytic hydrogenation of CO 2 to methanol

Repurposing CO 2 into chemicals, one of the Carbon Dioxide Removal (CDR) strategies, still faces significant challenges in conversion and energy efficiency due to the lack of effective catalysts and processes. Fundamental understanding through in situ/operando investigations of the reaction mechanisms and catalyst structures is pivotal for developing the efficient catalysts. This paper reviews the past and recent in situ/operando studies of methanol synthesis from heterogeneous CO 2 hydrogenation over a few typical catalysts including Cu-based, oxide-based, and noble-metal-based catalysts. With the development of high-pressure reactors, in situ/operando IR, X-ray absorption spectroscopy (XAS), X-ray diffraction (XRD), neutron diffraction and imaging have been used to reveal the surface intermediates and structures of working catalysts under CO 2 hydrogenation conditions. On the one hand, the combined operando techniques shed light on working mechanisms for some catalytic systems. On the other hand, due to the complexity of selective CO 2 hydrogenation reaction and limited sensitivity of current accessible operando techniques to the surface structure of catalysts, it is still murky about the exact nature of the active sites at the surface/interface and how different sites promote different reaction paths. Furthermore, it is concluded that new methodologies for differentiating signals from different sites, and the development of surface-sensitive techniques for high pressure reactions are needed for providing structural descriptors of highly active and selective CO 2 conversion catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Engine Operating Conditions, Fuel Property Effects, and Associated Fuel–Wall Interaction Dependencies of Stochastic Preignition

This work for the Coordinating Research Council (CRC) explores dependencies on the opportunity for fuel to impinge on internal engine surfaces (i.e., fuel–wall impingement) as a function of fuel properties and engine operating conditions and correlates these data with measurements of stochastic preignition (SPI) propensity. SPI rates are directly coupled with laser–induced florescence measurements of dye-doped fuel dilution measurements of the engine lubricant, which provides a surrogate for fuel–wall impingement. Literature suggests that SPI may have several dependencies, one being fuel–wall impingement. However, it remains unknown if fuel-wall impingement is a fundamental predictor and source of SPI or is simply a causational factor of SPI. In this study, these relationships on SPI and fuel-wall impingement are explored using 4 fuels at 8 operating conditions per fuel, for 32 total test points. The fuels were directly injected at two different injection timings: an earlier injection timing that initially targets the piston crown and a later injection timing that targets the cylinder liner. At each injection timing, the engine was operated at both 90°C and 70°C coolant and lubricant temperatures, and 185 and 200 kPa absolute intake manifold pressure. This work serves as an exploratory effort to down select conditions and provide initial fuel properties of interest for a secondary study to explore fuel property specific effects on fuel-wall interaction and SPI propensity. Significant findings from this initial operating condition and fuel property exploratory work are: 1. reduced engine operating coolant and lubricant temperatures, along with 2. retarded injection timings were required to increase SPI propensity. Moreover, at these conditions some fuel specific effects were also observed; specifically, increased ethanol content increased measured dye–wall (i.e., fuel–wall) interaction. However, despite increased dye–wall interaction, the increased volatility of the ethanol containing fuels also reduced the estimated fuel retention in the top-ring zone and associated measured SPI propensity. Thus, the findings of this unique approach to explore relationships between fuel-wall impingement and SPI highlight that SPI propensity is more directly proportional to retained fuel, and not simply fuel–wall impingement. Furthermore, fuel retention was found to be directly influenced by complex fuel property and engine operating condition relationships. Either retarded injection timings and/or increased fuel volatility increased fuel wall-impingement, while less volatile fuels and/or reduced coolant temperatures increased fuel retention. Therefore, for a given operating condition, the data highlights that greater volatile fuels exhibit increased fuel wall impingement without increased fuel retention or SPI propensity, while less volatile fuels could exhibit reduced fuel-wall impingement but increased fuel retention and SPI propensity rates.

33 ADVANCED PROPULSION SYSTEMS↗

Convective potential and fuel availability complement near-surface weather in regulating global wildfire activity

Wildfires are favored by hot, dry, windy, rainless conditions—this knowledge about fire weather informs both short-term forecast and long-term prediction of wildfire activity. Yet, wildfires rely on the availability of ignition and fuel, which are underrepresented in fire forecast and prediction practices. By analyzing satellite measurements and atmospheric reanalysis, here we show that near-surface weather only partially captures wildfire occurrence and intensity across the daily to seasonal timescales. Beyond near-surface weather, convection and fuel abundance play a complementary role in regulating burning processes. Specifically, enhanced atmospheric convection is identified for over 40% of the low-human-impact regions and 61% of global burnable areas during wildfire ignition and spreading periods. Meanwhile, 56% of shrublands and 54% of grasslands see higher fuel load with actual occurrence of fire. Our results highlight the role of convection and fuel in wildfire forecast, prompting a revisit of wildfire prediction under intertwined atmospheric and terrestrial changes.

54 ENVIRONMENTAL SCIENCES↗

A probabilistic inverse prediction method for predicting plutonium processing conditions

In the past decade, nuclear chemists and physicists have been conducting studies to investigate the signatures associated with the production of special nuclear material (SNM). In particular, these studies aim to determine how various processing parameters impact the physical, chemical, and morphological properties of the resulting special nuclear material. By better understanding how these properties relate to the processing parameters, scientists can better contribute to nuclear forensics investigations by quantifying their results and ultimately shortening the forensic timeline. This paper aims to statistically analyze and quantify the relationships that exist between the processing conditions used in these experiments and the various properties of the nuclear end-product by invoking inverse methods. In particular, these methods make use of Bayesian Adaptive Spline Surface models in conjunction with Bayesian model calibration techniques to probabilistically determine processing conditions as an inverse function of morphological characteristics. Not only does the model presented in this paper allow for providing point estimates of a sample of special nuclear material, but it also incorporates uncertainty into these predictions. This model proves sufficient for predicting processing conditions within a standard deviation of the observed processing conditions, on average, provides a solid foundation for future work in predicting processing conditions of particles of special nuclear material using only their observed morphological characteristics, and is generalizable to the field of chemometrics for applicability across different materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Carbon-Mediated Oxygen Vacancy Creation at Hematite Interfaces

Nanoscale iron oxides (e.g., hematite (a-Fe 2 O 3 )) have unique properties, such as enhanced chemical reactivity and high surface area, when compared with their bulk counterparts. These nanoscale surfaces can be more reactive due to the presence of defects (e.g., oxygen vacancies). In this work, we probed the surface chemistry of bulk and nanoscale hematite via X-ray photoelectron spectroscopy, electron microscopy, and powder X-ray diffraction. Oxygen exposure and vacuum annealing experiments were conducted to add or remove oxygen vacancies and remove adventitious carbon. In the absence of the oxygen annealing step, vacuum annealing resulted in partial reduction of Fe(III) to Fe(II) on all hematite surfaces. This was a size-dependent effect with the extent of reduction increasing as the crystallite size decreased. In addition, the atomic concentrations of carbon increased on all iron oxide surfaces after vacuum annealing. Oxygen annealing almost completely removed carbon from sample surfaces, and no Fe(III) reduction was observed in the absence of carbon. Under these conditions, the results reveal that carbonaceous material enhances oxygen vacancy formation, which then facilitates the reduction of Fe(III) on hematite surfaces. We provide new insights into the mechanisms of Fe(III) reduction on both bulk and nanoscale hematite surfaces and establish the major role of carbon in oxygen vacancy formation.

Zengotita, Frances E. [University of Notre Dame, I↗

Dual microscopy to explore enhanced atmospheric ice nucleation on multi-component aerosols

Using an optical microscopy setup adapted to in-situ studies of ice formation at ambient pressure, we examined a specific multicomponent mineral, microcline, with the ultimate aim of gaining a more realistic understanding of ice nucleation in Earth’s atmosphere. We focused on a perthitic feldspar, microcline, to test the hypothesis that co-existence in some feldspars of K-rich and Na-rich phases are contributing to enhanced ice nucleation. On a sample deliberately chosen to contain lamella, a typical perthitic microstructure, and flat surface regions next to each other, we performed a series of ice formation experiments. We found microcline to promote ice formation, causing a large number of ice nucleation events at around - 27°C. The number of ice nuclei decreased from experimental run to experimental run, indicating surface aging upon repeated exposure to humidity. An analysis of 10 experimental runs of identical conditions did not reveal an obvious enhancement of ice formation at the lamellar microstructure. Instead, we find efficient nucleation at various surface sites that produce orientationally aligned ice crystallites with asymmetric shape. Based on this observation we propose that surface steps running along select directions produce microfacets of an orientation that is favorable to enhanced ice nucleation, similar to previously reported for K-rich feldspars.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Global stellarator coil optimization with quadratic constraints and objectives

Most present stellarator designs are produced by costly two-stage optimization: the first for an optimized equilibrium, and the second for a coil design reproducing its magnetic configuration. Few proxies for coil complexity and forces exist at the equilibrium stage. Rapid initial state finding for both stages is a topic of active research. Most present convex coil optimization codes use the least square winding surface method by Merkel (NESCOIL), with recent improvements in conditioning, regularization, sparsity, and physics objectives. While elegant, the method is limited to modeling the norms of linear functions in coil current. We present QUADCOIL, a global coil optimization method that targets combinations of linear and quadratic functions of the current. It can directly constrain and/or minimize a wide range of physics objectives unavailable in NESCOIL and REGCOIL, including the Lorentz force, magnetic energy, curvature, field-current alignment, and the maximum density of a dipole array. QUADCOIL requires no initial guess and runs nearly $10$ 2 x faster than filament optimization. Integrating it in the equilibrium optimization stage can potentially exclude equilibria with difficult-to-design coils, without significantly increasing the computation time per iteration. QUADCOIL finds the exact, global minimum in a large parameter space when possible, and otherwise finds a well-performing approximate global minimum. It supports most regularization techniques developed for NESCOIL and REGCOIL. We demonstrate QUADCOIL’s effectiveness in coil topology control, minimizing non-convex penalties, and predicting filament coil complexity with three numerical examples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Gulf of Mexico Turbulence Intensity Model Data

The dataset is a subset of simulations carried out for the Gulf of Mexico region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles near the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from the NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing. Simulations are performed from January through June in 2020 and output every 10 minutes, which permits comparison with corresponding lidar observations.

17 WIND ENERGY↗

Distinctive Oxide Films Develop on the Surface of FeCrAl as the Environment Changes for Nuclear Fuel Cladding

The corrosion-resistant properties of IronChromium–Aluminum (FeCrAl) alloys have been known for nearly a century. Since the 1950s, they have been explored for application in the generation of nuclear power. In the last decade, the focus has been on the use of FeCrAl as cladding for uranium dioxide fuel in light water reactors (LWRs). The corrosion resistance of this alloy depends on the oxide that it can develop on the surface. In LWRs in the vicinity of 300 °C, the external surface oxide of the FeCrAl cladding could be rich in Fe under oxidizing conditions but rich in Cr under reducing conditions. If there is an accident and the cladding is exposed to superheated steam, the cladding will protect itself by developing an alpha aluminum film on the surface.

Qu, Haozheng↗

Coupling between bulk thermal defects and surface segregation dynamics

Surface segregation is a phenomenon that depends on the delicate interplay between thermodynamic driving forces and kinetic obstacles, for which elevated temperature is often needed to enhance the atom mobility and reach equilibrium. Using the classic system of Cu 3 Au ( 100 ) under nonisothermal conditions, in this study, we show an adatom process underlying transient surface segregation dynamics through the temperature-change-driven creation and annihilation of thermal vacancies in the bulk and the resulting bulk-surface mass exchanges. This is demonstrated by monitoring the surface composition evolution of Cu 3 Au ( 100 ) with temperature changes between 250 and 500 ° C , showing that the increase in temperature decreases monotonically the surface Au concentration as a result of the transfer of more Cu than Au from the bulk to the surface to form Cu-rich clusters of adatoms. Such a bulk thermal defect effect is expected to be universal in inducing the disparity in the bulk-surface mass exchanges of dissimilar atoms in multicomponent materials because of the inherent differences in the vacancy formation energies of the constituent atoms.

36 MATERIALS SCIENCE↗

Fine-tuning catalytic selectivity by modulating catalyst-environment interactions: CO 2 hydrogenation over Pd-based catalysts

Capturing catalytic behaviors under operational conditions is pivotal to gaining a mechanistic understanding and promoting the design of robust catalysts. The challenge lies in the difficulty of monitoring real-time surface dynamics driven by catalyst-environment interactions. Here, in this work, we introduce a framework based on density functional calculations and kinetic modeling. This framework significantly improves the accuracy of theoretical models’ descriptions of experimental observations by quantifying environmental impacts on surface phases and active sites. CO 2 hydrogenation over Pd-based catalysts is taken as a showcase. The observed selectivity variations of Pd and Pd-M bimetallic catalysts strongly correlate with hydrogen coverage maintained under typical CO 2 hydrogenation conditions. By reducing the amount of surface hydrogen, the selectivity tuned effectively from formic acid toward CO and methanol. This study not only deepens the comprehension of dynamics of active sites under active chemical conditions but also introduces an alternative opportunity for catalytic tuning by modulating catalyst-environment interactions.

03 NATURAL GAS↗

Analysis of contact conditions and microstructure evolution in shear assisted processing and extrusion using smoothed particle hydrodynamics method

Shear assisted processing and extrusion (ShAPE) is a solid-phase processing technique that adds an additional shear force as compared with a conventional extrusion approach. Recently, ShAPE has demonstrated the capability of extruding high-performance aluminum alloy 7075 (AA7075) tubes at speeds up to 12.2 m/min without surface tearing. However, the relationship among the ShAPE processing parameters, thermomechanical conditions, contact conditions, heat generation, and microstructure evolution remains primarily empirical because an insightful understanding of the associated physics is still lacking. To help elucidate these relationships, this work proposes a thermomechanical meshfree model for the first time for ShAPE processing of AA7075 using the smoothed particle hydrodynamics (SPH) method. The meshfree model is first validated thoroughly by experimental data in terms of material flow, die face temperature, and extrusion force with various processing parameters. The validated model is then used to analyze the steady-state contact conditions and heat generation rates during ShAPE processing. Distributions of the average grain size of AA7075 being extruded are calculated using the SPH model output. The meshfree model results reveal that extrusions conducted at lower temperatures and higher strain rates yield more refined grains and possibly higher material strength, which is also consistent with the experimental observations.

36 MATERIALS SCIENCE↗

Evolving physical and mechanical rock properties during exposure at Earth's surface

Rocks at Earth's surface experience progressive damage due to exposure to environmental conditions. Although environmental damage to rocks is recognized as being time-dependent, our quantitative understanding of its effects on physical and mechanical properties remains limited by field and laboratory studies constrained to short timescales. In this study, we aim to rigorously quantify how these properties evolve under longer natural environmental exposure spanning from the Holocene to the late Pleistocene. We conducted a ‘time series’ analysis of key physical and mechanical rock properties using multiple interior samples from 10 cogenetic granitoid boulders exposed for different amounts of time at two sites in Eastern California, USA. We find that over the late Pleistocene (~30 ka), rocks exhibit porosity increases of 40 ± 4 % and seismic velocity decreases of 7 ± 1 % at both sites. Similarly, over the same time period, rock tensile and compressive strengths declined by an average of 11 ± 4 %, and rock permeability increased on average by 104 ± 50 %. Microscopic analysis of thin sections of the same rocks indicates that microfracture density and intensity also progressively increased over the same timescales. These results suggest that time-dependent fracture propagation due to environmental exposure is likely a central contributor to the observed changes in rock properties. This study provides quantitative documentation that pronounced changes in the physical and mechanical properties of rock progressively occur within thousands of years of exposure.

Critical zone↗