Criticality of Inverter Controller Order in Power System Dynamic Studies – Case Study: Maui Island
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In redox processes in complex transition metal-containing species are often intimately associated with changes in ligand protonation states and metal coordination number. Moreover, a major challenge is therefore to develop consistent computational approaches for computing pH-dependent redox and ligand dissociation properties of organometallic species. Reduction of the Co center in the vitamin B12 derivative aquacobalamin can be accompanied by ligand dissociation, protonation, or both, making these properties difficult to compute accurately. We examine this challenge here by using density functional theory and continuum solvation to compute Co ligand binding equilibrium constants (Kon/off), pKas and reduction potentials for models of aquacobalamin in aqueous solution. We consider two models for cobalamin ligand coordination: the first follows the hexa, penta, tetra coordination scheme for Co III , Co II , and Co I species, respectively, and the second model features saturation of each vacant axial coordination site on Co II and Co I species with a single, explicit water molecule to maintain six directly interacting ligands or water molecules in each oxidation state. Comparing these two coordination schemes in combination with five dispersion-corrected density functionals, we find that the accuracy of the computed properties is largely independent of the scheme used, but including only a continuum representation of the solvent yields marginally better results than saturating the first solvation shell around Co throughout. PBE performs best, displaying balanced accuracy and superior performance overall, with RMS errors of 80 mV for seven reduction potentials, 2.0 log units for five pK a s and 2.3 log units for two log K on/off values for the aquacobalamin system. Furthermore, we find that the BP86 functional commonly used in corrinoid studies suffers from erratic behavior and inaccurate descriptions of Co axial ligand binding, leading to substantial errors in predicted pK a s and K on/off values. Finally, these findings demonstrate the effectiveness of the present approach for computing electrochemical and thermodynamic properties of a complex transition metal-containing cofactor.
Accurately modeling wind farm performance in complex atmospheric flows remains a challenge. This paper presents the modeling results of the American WAKE experimeNt (AWAKEN) wind farm benchmark, a collaborative effort involving 16 research groups from academia and industry within the International Energy Agency Wind Technology Collaboration Programme Task 57. The study evaluates a diverse suite of simulation tools, ranging from fast-running engineering wake models to high-fidelity large-eddy simulations, against a diurnal case study observed during the AWAKEN campaign. The benchmark utilized a three-phase structure to progressively assess model performance as observational data availability increased. Initial blind predictions showed that higher-fidelity models did not uniformly outperform simpler simulation tools. A distinct spatial bias was observed where models struggled to resolve the interplay between a low-level jet, wakes, and terrain-induced flow acceleration. In subsequent phases, leveraging additional measurements for model improvement led to a reduction in mean absolute error across the model ensemble; however, this effect was most pronounced in engineering wake models, where targeted calibration reduced error by up to 40~\%. Overall, the study demonstrates that inflow characterization remains a primary prerequisite for accuracy, particularly for models relying on coarse forcing datasets. While the limited ability to resolve local terrain-flow interactions under single-day conditions represent a recognized constraint, the overall findings on wake modeling and real-world validation still provide valuable guidance for model application and for mitigating this limitation.
In this paper a new three dimensional half-moment model for radiative transfer is presented for a gray medium. It describes the evolution of the zeroth and first directional half moments of the radiative intensity. The closure is provided, similarly to Dubroca and Klar, by the maximum entropy concept. This work generalizes that model to three dimensions. The model presented here (the derivation being done in Ripoll and Wray, called the M(sup 1/2)(sub 1) model, is a hyperbolic system consisting of a total of eight equations in three dimensions, four equations for each direction. Each half model has the classical form of a macroscopic moment model in which the pressure tensor is constructed from the well-known Eddington tensor with a particular Eddington factor. Moreover, different source and border terms occur. The latter introduce couplings between the macroscopic and microscopic quantities and between the + and - streams, through the intensity in the plane perpendicular to the flux. The main theoretical application of the half moment model, treated in this paper, is its reduction to a full moment model, called M(sup +)(sub 1), for the particular but important case of a hot, opaque source radiating in a cold transparent (or semi-transparent) medium for very specific applications, such as stellar interiors or atmospheres, or combustion problems. The structure of the paper is as follows. In section 2, the model M(sup 1/2)(sub 1) is presented. In section 3, for the particular case of a hot, opaque source radiating into a cold medium, the half moment model is reduced to the M(sup +)(sub 1) model. In section 4, we first solve a simple and academic problem to validate the models, followed by a simplified solar atmosphere.
This paper presents a coupled vortex-lattice flight dynamic model with an aeroelastic finite-element model to predict dynamic characteristics of a flexible wing transport aircraft. The aircraft model is based on NASA Generic Transport Model (GTM) with representative mass and stiffness properties to achieve a wing tip deflection about twice that of a conventional transport aircraft (10% versus 5%). This flexible wing transport aircraft is referred to as an Elastically Shaped Aircraft Concept (ESAC) which is equipped with a Variable Camber Continuous Trailing Edge Flap (VCCTEF) system for active wing shaping control for drag reduction. A vortex-lattice aerodynamic model of the ESAC is developed and is coupled with an aeroelastic finite-element model via an automated geometry modeler. This coupled model is used to compute static and dynamic aeroelastic solutions. The deflection information from the finite-element model and the vortex-lattice model is used to compute unsteady contributions to the aerodynamic force and moment coefficients. A coupled aeroelastic-longitudinal flight dynamic model is developed by coupling the finite-element model with the rigid-body flight dynamic model of the GTM.
Each year the U.S. Department of Energy Bioenergy Technologies Office (BETO) assesses progress in their research and development efforts toward sustainable production of renewable fuels (DOE 2016) through the annual state of technology (SOT) assessment. The SOT assessment evaluates the impact of the year’s research progress on the modeled minimum fuel selling price (MFSP) for selected biofuel conversion pathways and measures the current state of the technology relative to defined goal case projections. Supply chain sustainability analysis to track and guide research toward improved greenhouse gas (GHG) emissions, energy usage, water usage and other environmental metrics for the pathway is performed by Argonne National Laboratory (Cai et al. 2018, 2020). Technical and cost targets for a projected goal case set for the year 2022 were previously established for the wet waste hydrothermal liquefaction (HTL) and biocrude upgrading pathway and summarized in a design report (Snowden-Swan et al. 2017). Process performance advancements made for HTL and biocrude hydrotreating have resulted yearly reductions in the modeled MFSP relative to the initial SOT (2018) (Snowden-Swan et al. 2020, 2021). This report summarizes the research and associated techno-economic analysis (TEA) for the pathway 2021 SOT. Methods and economic assumptions for the nth plant analysis used for the TEA are consistent with the design report (Snowden-Swan et al. 2017), with the exception of updates in the modeled cost year (2016) and income tax rate (21%).
An operando experimental method for monitoring relative variations in half-cycle rates of the Cu redox-cycle model of selective-catalytic-reduction (SCR) is demonstrated, along with a kinetic model for predicting the same. Conversion inflections (CI) can occur at SCR onset within Cu/SCR catalysts; transient CI involves initial conversion growth to an intermediate value greater than exists at steady state (SS) before degrading to the SS value. While similar CI has been reported for Fe/SCR catalysts as being due to NH 3 inhibition, Cu/SCR CI is inconsistent with a similar origin. Rather, Cu/SCR CI is due to imbalances in the redox-half-cycle rates, and will occur when reduction is faster than oxidation. The temporal CI shape varies with the redox-cycle kinetic parameters and model formulation, and can be used to study the same. Here, we demonstrate the first measurements of dynamic half-cycle rate balancing at SCR onset, use CI and onset transients to study variations in half-cycle rates under Standard, Fast and NO 2 SCR, and present the first redox-cycle model showing CI. The new operando method and model provides a basis for better understanding the SCR redox process, and determining the individual half-cycles kinetic model formulation and parameters.
An analytical method to estimate the influence that a jet of heated flow has on the noise emission from a parallel jet is presented. The shielding jet is modelled as a cylinder of constant cross-section in which the flow speed and temperature are uniform throughout. The jet noise emission is modelled by a point source with directivity imposed. The directivity term consists of: a self-noise term, a shear-noise term, and a convection factor. The self- and shear-noise terms each contain a basic directivity factor multiplying a spectral shape function. The various components are evaluated based on comparison with isothermal jet radiation experimental data. The modified source term is incorporated into the jet shielding model and compared to heated twin jet shielding data. The estimated spectra agree well except further downstream of the nozzle where peak of the noise spectrum estimated by the model lies approximately one octave below the experimental peak. The noise reduction estimated by the model agrees favorably with experiment in the near downstream region. This discrepancy is explained in terms of the shielding mechanism which is dominant far downstream.
Acoustic measurements were obtained in a Langley 14 x 22 foot Subsonic Wind Tunnel to study the aeroacoustic interaction of 1/5th scale main rotor, tail rotor, and fuselage models. An extensive aeroacoustic data base was acquired for main rotor, tail rotor, fuselage aerodynamic interaction for moderate forward speed flight conditions. The details of the rotor models, experimental design and procedure, aerodynamic and acoustic data acquisition and reduction are presented. The model was initially operated in trim for selected fuselage angle of attack, main rotor tip-path-plane angle, and main rotor thrust combinations. The effects of repositioning the tail rotor in the main rotor wake and the corresponding tail rotor countertorque requirements were determined. Each rotor was subsequently tested in isolation at the thrust and angle of attack combinations for trim. The acoustic data indicated that the noise was primarily dominated by the main rotor, especially for moderate speed main rotor blade-vortex interaction conditions. The tail rotor noise increased when the main rotor was removed indicating that tail rotor inflow was improved with the main rotor present.
This paper describes a navigation error covariance analysis of two scenarios derived from the Mars Observer mission and the planned Mars Environmental SURvey (MESUR) Pathfinder mission, respectively. The analysis was performed to establish the potential navigational performance of the X-band tracking system in NASA's Deep Space Network, and to evaluate the sensitivity of the predicted performance to variations in the quantity of data acquired, the ground system error modeling assumptions, and data reduction schemes. The simulated data arcs used in the analysis are representative of the actual data arcs that will be used to predict the aim point for the Mars orbit insertion maneuver, in the case of Mars Observer, and the interplanetary trajectory aim point corresponding to the target Mars landing site in the case of MESUR Pathfinder. The results indicate that with a suitable sequential data reduction scheme and accurate calibrations of instrumentation, transmission media, and platform model parameters, navigation accuracies of 5 to 15 km (1 sigma) can be achieved, equivalent to 15 to 40 nrad in geocentric angle uncertainty.
Airframe noise is an important issue during the approach and landing phases of flight because engines are throttled back, and airframe sources become an equal or greater contributor to environmental noise. The leading-edge slat component of the high-lift system for transport aircraft has been identified as a prominent source of airframe noise. Noise production mechanisms and potential treatments to mitigate airframe noise have been areas of active research for nearly three decades. Two promising technologies for slat noise reduction are the slat-gap filler (SGF) and slat-cove filler (SCF). Previous work was done using a 2D section of a transport class aircraft wing to demonstrate their feasibility via benchtop and computational models. A wind tunnel test campaign was recently undertaken to test the SGF and SCF technologies in a flight-like environment by installing dynamically scaled treatments on the 10%-scale High-Lift Common Research Model (CRM-HL), which is representative of a commercial twin-aisle transport aircraft. Advancement of the SGF and SCF technologies to overcome challenges of integration with 3D airframe structures, computational simulations of the CRM-HL predicting the aerodynamic and aeroacoustic performance and structural loads, and design of wind tunnel model hardware with features accommodating noise treatments were conducted in parallel. Details of innovations in the SGF and SCF technologies for 3D airframe feasibility will be described. The loads the treatments must sustain in flight and the influence of those loads on the design is also discussed. Finally, the design of wing leading-edge assemblies to treat the 10% CRM-HL with dynamically scaled SGF and SCF components is presented. The treatments were successfully tested in 2020/2021 providing a demonstration of leading-edge noise reduction using components that would allow slat articulation.
The risk of ubiquitous perchlorate exposure and the dose-response on thyroid hormone levels in pregnant women in the United States (U.S.) have yet to be characterized. In the current work, we integrated a previously developed perchlorate submodel into a recently developed population-based pregnancy model to predict reductions in maternal serum free thyroxine (fT4) levels for late-gestation pregnant women in the U.S. Our findings indicated no significant difference in geometric mean estimates of fT4 when perchlorate exposure from food only was compared to no perchlorate exposure. The reduction in maternal fT4 levels reached statistical significance when an added contribution from drinking water (i.e., 15 μg/L, 20 μg/L, or 24.5 μg/L) was assumed in addition to the 90th percentile of food intake for pregnant women (0.198 μg/kg/day). We determined that a daily intake of 0.45 to 0.50 μg/kg/day of perchlorate was necessary to produce results that were significantly different than those obtained from no perchlorate exposure. Adjusting for this food intake dose, the relative source contribution of perchlorate from drinking water (or other non-dietary sources) was estimated to range from 0.25–0.3 μg/kg/day. Assuming a drinking water intake rate of 0.033 L/kg/day, the drinking water concentration allowance for perchlorate equates to 7.6–9.2 μg/L. In summary, we have demonstrated the utility of a probabilistic biologically-based dose-response model for perchlorate risk assessment in a sensitive life-stage at a population level; however, there is a need for continued monitoring in regions of the U.S. where perchlorate exposure may be higher. - Highlights: • Probabilistic risk assessment for perchlorate in U.S. pregnant women was conducted. • No significant change in maternal fT4 predicted due to perchlorate from food alone. • Drinking water concentration allowance for perchlorate estimated as 7.6–9.2 μg/L.
Clothes drying is an energy-intensive process that causes significant electricity consumption and carbon emissions in the US. Approximately 83% of Households in the US own a tumble clothes dryer at home and 80% of dryers are electrical resistance dryers with low energy efficiency. Heat pump technology makes it possible for highly efficient and clean drying. Additionally, the ventless design of heat pump clothes dryers (HPCD) provides more installation flexibility. HPCD involves three primary mediums: wet clothes, a closed air loop, and a refrigerant circuit. The evaporator is used to dehumidify the wet air and the condenser is used to re-heat the dry air. One of the critical technological barriers to HPCD market penetration is its long drying time, primarily due to the relatively low discharging temperature and the slow response during the warm-up period. In this study, the thermal energy storage (TES) technology is adopted to address this challenge by providing pre-heating of air prior to the condenser to increase the operating temperature of the process air. The heat pump will charge the phase change material (PCM) in the TES device with heating energy during clothes washing and the PCM will discharge the stored heat to facilitate air heating during clothes drying. To analyze the optimal design and potential for energy saving and drying time reduction, a mathematical model of the HPCD system was developed. The HPCD is a highly dynamic system with a coupled heat and mass transfer and heat pumping cycle. This paper provides solutions to simulate the transient behavior of the system while maintaining low computational cost. The modeling result indicates reduced energy consumption and drying time by integrating TES with HPCD, as compared to electrical resistance dryers. The study can provide significant insights into improving building flexibility with TES and smart appliances.
Estimating spatially distributed properties such as permeability from available sparse measurements is a great challenge in efficient subsurface CO 2 storage operations. In this paper, a deep generative model that can accurately capture complex subsurface structure is tested with an ensemble-based inversion method for accurate and accelerated characterization of CO 2 storage sites. We chose Wasserstein Generative Adversarial Network with Gradient Penalty (WGAN-GP) for its realistic reservoir property representation and Ensemble Smoother with Multiple Data Assimilation (ES-MDA) for its robust data fitting and uncertainty quantification capability. WGAN-GP are trained to generate high-dimensional permeability fields from a low-dimensional latent space and ES-MDA then updates the latent variables by assimilating available measurements. Several subsurface site characterization examples including Gaussian, channelized, and fractured reservoirs are used to evaluate the accuracy and computational efficiency of the proposed method and the main features of the unknown permeability fields are characterized accurately with reliable uncertainty quantification. Furthermore, the estimation performance is compared with a widely-used variational, i.e., optimization-based, inversion approach, and the proposed approach outperforms the variational inversion method in several benchmark cases. We explain such superior performance by visualizing the objective function in the latent space: because of nonlinear and aggressive dimension reduction via generative modeling, the objective function surface becomes extremely complex while the ensemble approximation can smooth out the multi-modal surface during the minimization. This suggests that the ensemble-based approach works well over the variational approach when combined with deep generative models at the cost of forward model runs unless convergence-ensuring modifications are implemented in the variational inversion.
The ability to freeze and stabilize reaction intermediates in their metastable states and obtain their structural and chemical information with high spatial resolution would be very powerful to unravel the fundamentals in many important materials technologies such as catalysis and batteries. Here, we develop an electrified operando-freezing methodology for the first time to preserve these metastable states under electrochemical reaction conditions for cryogenic electron microscopy (cryo-EM) imaging and spectroscopy. Using Cu catalysts for CO 2 reduction as a model system, we observe restructuring of the Cu catalyst in a CO 2 atmosphere while the same catalyst remains intact in an air atmosphere at the nanometer scale. Furthermore, we discover the existence of single valance Cu (1+) state and C-O bonding at the electrified liquid-solid interface of the operando-frozen samples, which are key reaction intermediates that traditional ex situ measurements fail to detect. Finally, this work highlights our novel technique to study the local structure and chemistry of electrified liquid-solid interfaces, which has broad impact for many electrochemical reactions.
We introduce and provide the scientific motivation for a wide-field photometric and spectroscopic chemodynamical survey of nearby early-type galaxies (ETGs) and their globular cluster (GC) systems. The SAGES Legacy Unifying Globulars and GalaxieS (SLUGGS) survey is being carried out primarily with Subaru/Suprime-Cam and Keck/DEIMOS. The former provides deep gri imaging over a 900 arcmin{sup 2} field-of-view to characterize GC and host galaxy colors and spatial distributions, and to identify spectroscopic targets. The NIR Ca II triplet provides GC line-of-sight velocities and metallicities out to typically ∼8 R {sub e}, and to ∼15 R {sub e} in some cases. New techniques to extract integrated stellar kinematics and metallicities to large radii (∼2-3 R {sub e}) are used in concert with GC data to create two-dimensional (2D) velocity and metallicity maps for comparison with simulations of galaxy formation. The advantages of SLUGGS compared with other, complementary, 2D-chemodynamical surveys are its superior velocity resolution, radial extent, and multiple halo tracers. We describe the sample of 25 nearby ETGs, the selection criteria for galaxies and GCs, the observing strategies, the data reduction techniques, and modeling methods. The survey observations are nearly complete and more than 30 papers have so far been published using SLUGGS data. Here we summarize some initial results, including signatures of two-phase galaxy assembly, evidence for GC metallicity bimodality, and a novel framework for the formation of extended star clusters and ultracompact dwarfs. An integrated overview of current chemodynamical constraints on GC systems points to separate, in situ formation modes at high redshifts for metal-poor and metal-rich GCs.
A strongly coupled, self-gravitating, opposite-polarity dust plasma (containing strongly coupled inertial positive and negative dust fluids, and inertialess weakly coupled ions) is considered. The generalized hydrodynamic model and the reductive perturbation method are employed to examine the possibility for the formation of the dust-acoustic (DA) shock structures in such an opposite-polarity dust plasma. It has been shown that the strong correlation among charged dust is a source of dissipation and is responsible for the formation of the DA shock structures in such the opposite-polarity dust plasma medium. The parametric regimes for the existence of the DA shock structures (associated with electrostatic and gravitational potentials) and their basic properties (viz., polarity, amplitude, width, and speed) are found to be significantly modified by the combined effects of positively charged dust component, self-gravitational field, and strong correlation among charged dust. The implications of our results in different space plasma environments and laboratory plasma devices are briefly discussed.