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At least 55 records · Page 3

Simulation-Based Analysis of Feeder Operation with Different PV Smart Inverter Functions on an Actual Distribution System: Preprint

High penetration of photovoltaics (PV) in distribution feeders can cause problems, such as overvoltage, reverse power flow, and large net load changes. Traditional voltage regulation devices, such as capacitors and voltage regulators, can solve some of these problems but might have some delays. Today, smart inverters are gradually being used to provide voltage regulation and frequency support in distribution systems. Different smart inverter settings have been recommended in various rules and standards; however, the potential benefits and their impacts on distribution system operation are not well compared and studied. This paper presents a comparison of different smart inverter settings as applied to a distribution system. An actual feeder model from San Diego Gas & Electric Company is used to conduct the simulation. Additionally, a load disaggregation method is proposed to disaggregate the load and PV profile for each load location using advanced metering infrastructure net load measurements. Then, different smart inverter settings are applied to the PV systems in the feeder, and the simulation results are compared. The results show that the implementation of specific functions of smart inverters can reduce voltage exceedances, and the utility can determine the specific inverter setting based on its operational requirements.

distribution system

Molecular profiles of blood from numerous species that differ in sensitivity to acute inflammation

Abstract Vertebrates differ over 100,000-fold in responses to pro-inflammatory agonists such as bacterial lipopolysaccharide (LPS), complicating use of animal models to study human sepsis or inflammatory disorders. We compared transcriptomes of resting and LPS-exposed blood from six LPS-sensitive species (rabbit, pig, sheep, cow, chimpanzee, human) and four LPS-resilient species (mice, rats, baboon, rhesus), as well as plasma proteomes and lipidomes. Unexpectedly, at baseline, sensitive species already had enhanced expression of LPS-responsive genes relative to resilient species. After LPS stimulation, maximally different genes in resilient species included genes that detoxify LPS, diminish bacterial growth, discriminate sepsis from SIRS, and play roles in autophagy and apoptosis. The findings reveal the molecular landscape of species differences in inflammation. This may inform better selection of species for pre-clinical models and could lead to new therapeutic strategies that mimic mechanisms in inflammation-resilient species to limit inflammation without causing immunosuppression.

Biochemistry & Molecular Biology

In-vivo Raman microspectroscopy reveals differential nitrate concentration in different developmental zones in Arabidopsis roots

Abstract Background Nitrate (NO 3 − ) is one of the two major forms of inorganic nitrogen absorbed by plant roots, and the tissue nitrate concentration in roots is considered important for optimizing developmental programs. Technologies to quantify the expression levels of nitrate transporters and assimilating enzymes at the cellular level have improved drastically in the past decade. However, a technological gap remains for detecting nitrate at a high spatial resolution. Using extraction-based methods, it is challenging to reliably estimate nitrate concentration from a small volume of cells (i.e., with high spatial resolution), since targeting a small or specific group of cells is physically difficult. Alternatively, nitrate detection with microelectrodes offers subcellular resolution with high cell specificity, but this method has some limitations on cell accessibility and detection speed. Finally, optical nitrate biosensors have very good ( in-vivo ) sensitivity (below 1 mM) and cellular-level spatial resolution, but require plant transformation, limiting their applicability. In this work, we apply Raman microspectroscopy for high-dynamic range in-vivo mapping of nitrate in different developmental zones of Arabidopsis thaliana roots in-situ . Results As a proof of concept, we have used Raman microspectroscopy for in-vivo mapping of nitrate content in roots of Arabidopsis seedlings grown on agar media with different nitrate concentrations. Our results revealed that the root nitrate concentration increases gradually from the meristematic zone (~ 250 µm from the root cap) to the maturation zone (~ 3 mm from the root cap) in roots grown under typical growth conditions used for Arabidopsis, a trend that has not been previously reported. This trend was observed for plants grown in agar media with different nitrate concentrations (0.5–10 mM). These results were validated through destructive measurement of nitrate concentration. Conclusions We present a methodology based on Raman microspectroscopy for in-vivo label-free mapping of nitrate within small root tissue volumes in Arabidopsis. Measurements are done in-situ without additional sample preparation. Our measurements revealed nitrate concentration changes from lower to higher concentration from tip to mature root tissue. Accumulation of nitrate in the maturation zone tissue shows a saturation behavior. The presented Raman-based approach allows for in-situ non-destructive measurements of Raman-active compounds.

Fernández González, Alma

Data for Attributing Differences of Solar-Induced Chlorophyll Fluorescence (SIF)-Gross Primary Production (GPP) Relationships between Two C4 Crops, Corn and Miscanthus

Information to characterize the solar-induced chlorophyll fluorescence (SIF)-gross primary production (GPP) relationship in C4 cropping systems remains limited. The annual C4 crop corn and perennial C4 crop miscanthus differ in phenology, canopy structure and leaf physiology. Investigating the SIF-GPP relationships in these species could deepen our understanding of SIF-GPP relationships within C4 crops. Using in situ canopy SIF and GPP measurements for both species along with leaf-level measurements, we found considerable differences in the SIF-GPP relationships between corn and miscanthus, with a stronger SIF-GPP relationship and higher slope of SIF-GPP observed in corn compared to miscanthus. These differences were mainly caused by leaf physiology. For miscanthus, high non-photochemical quenching (NPQ) under high light, temperature and water vapor deficit (VPD) conditions caused a large decline of fluorescence yield (ΦF), which further led to a SIF midday depression and weakened the SIF-GPP relationship. The larger slope in corn than miscanthus was mainly due to its higher GPP in mid-summer, largely attributed to the higher leaf photosynthesis and less NPQ. Our results demonstrated variation of the SIF-GPP relationship within C4 crops and highlighted the importance of leaf physiology in determining canopy SIF behaviors and SIF-GPP relationships.

Feedstock Production

Numerical Simulation of Biogenic Fluid Catalytic Cracking (BFCC) Regenerators at Different Scales with MFIX-Exa

Catalytic Fast Pyrolysis (CFP) is a process that converts biomass into liquid intermediates suitable for transportation fuels by rapidly heating it in the presence of a catalyst, aiming to produce stable oils with reduced oxygen content. During CFP, the catalyst can become deactivated by the accumulation of coke, a carbon-rich deposit formed from the decomposition of biomass components. Unlike in petroleum refining, regenerating coked catalysts from biomass pyrolysis requires specific approaches due to the different chemical nature of the coke formed. An experimental technique, Temperature Programmed Oxidation (TPO), was used to study the de-coking process by gradually increasing temperature while monitoring the production of CO and CO2, which provides data for kinetic modeling. Utilizing data from TPO experiments, coke combustion kinetic model was developed to describe the rate of coke removal at different temperatures, allowing for simulation of regeneration processes. Then kinetic model is integrated into MFIX-Exa for the simulation of Biogenic Fluid Catalytic Cracker (BFCC) regenerator at different scales, enabling analysis of catalyst flow, temperature distribution, and regeneration efficiency under various operating conditions.

biogenic fluid catalytic cracking

Texture Analysis of Inconel 718 with Different Modes During Single-Track Laser Surface Re-Melting

An in-depth understanding of the texture formation in melt pools allows for the modification of the surface layer microstructure and corresponding material properties, providing an opportunity to integrate laser surface re-melting into metal additive manufacturing. This study investigates crystallographic texture formation at different cooling rates in single melting tracks on the Inconel 718 (IN718) plate produced by laser surface re-melting. The cooling rate varies from 2.31 × 10 5 °C/s to 9.56 × 10 5 °C/s with the increase in scanning rates from 400 mm/s to 1200 mm/s, measured by recently developed real-time temperature monitoring of melt pools. Columnar grains are dominant, with distinct crystallographic textures forming in the melt pools. At a slower scanning speed, the keyhole mode shows three different textures forming at different depths (crystallographically layered structure), while, at a faster scanning speed, the conduction mode shows only random grain orientation. There are no pores/voids detected, and the columnar grain morphology and columnar grain width (8.6 μm to 12.4 μm) follow the analysis framework in terms of thermal gradient and solidification rate analysis. This implies that laser surface re-melting provides the potential to modify the surface structure from a random grain orientation to a crystallographically layered structure.

36 MATERIALS SCIENCE

Effect of Part Size, Displacement Rate, and Aging on Compressive Properties of Elastomeric Parts of Different Unit Cell Topologies Formed by Vat Photopolymerization Additive Manufacturing

Due to its ability to achieve geometric complexity at high resolution and low length scales, additive manufacturing (AM) has increasingly been used for fabricating cellular structures (e.g., foams and lattices) for a variety of applications. Specifically, elastomeric cellular structures offer tunability of compliance as well as energy absorption and dissipation characteristics. However, there are limited data available on compression properties for printed elastomeric cellular structures of different designs and testing parameters. In this work, the authors evaluate how unit cell topology, part size, the rate of compression, and aging affect the compressive response of polyurethane-based simple cubic, body-centered, and gyroid structures formed by vat photopolymerization AM. Finite element simulations incorporating hyperelastic and viscoelastic models were used to describe the data, and the simulated results compared well with the experimental data. Of the designs tested, only the parts with the body-centered unit cell exhibited differences in stress–strain responses at different part sizes. Of the compression rates tested, the highest displacement rate (1000 mm/min) often caused stiffer compressive behavior, indicating deviation from the quasi-static assumption and approaching the intermediate rate response. The cellular structures did not change in compression properties across five weeks of aging time, which is desirable for cushioning applications. This work advances knowledge on the structure–property relationships of printed elastomeric cellular materials, which will enable more predictable compressive properties that can be traced to specific unit cell designs.

36 MATERIALS SCIENCE

Algorithmically detected rain-on-snow flood events in different climate datasets: a case study of the Susquehanna River basin

Abstract. Rain-on-snow (RoS) events in regions of ephemeral snowpack – such as the northeastern United States – can be key drivers of cool-season flooding. We describe an automated algorithm for detecting basin-scale RoS events in gridded climate data by generating an area-averaged time series and then searching for periods of concurrent precipitation, surface runoff, and snowmelt exceeding predefined thresholds. When evaluated using historical data over the Susquehanna River basin (SRB), the technique credibly finds RoS events in published literature and flags events that are followed by anomalously high streamflow as measured by gauge data along the river. When comparing four different datasets representing the same 21-year period, we find large differences in RoS event magnitude and frequency, primarily driven by differences in estimated surface runoff and snowmelt. Using dataset-specific thresholds improves agreement between datasets but does not account for all discrepancies. We show that factors such as meteorological forcing and coupling frequency, as well as choice of land surface model, play roles in how data products capture these compound extremes and suggest care is to be taken when climate datasets are used by stakeholders for operational decision-making.

54 ENVIRONMENTAL SCIENCES

Directional finite difference method for directly solving 3D gyrokinetic field equations with enhanced accuracy

The gyrokinetic (GK) field equation is a three-dimensional (3D) elliptic equation, but it is often simplified to a set of two-dimensional (2D) equations by assuming that the field does not vary along a specific direction. However, this simplification can introduce inevitable 0th-order numerical errors, as nonlinear mode coupling in toroidal geometry can produce undesirable harmonic modes that violate the assumption. In this work, we propose a novel directional finite difference method (FDM) with a local coordinate transformation to better resolve the target field of interest. The directional FDM can accurately solve 3D GK field equations without simplifications, which can overcome the limitations of conventional methods. The accuracy and efficiency of different FDMs are analyzed in great detail for a variety of geometries, from simple 2D Cartesian coordinates to realistic 3D curvilinear coordinates. The 0th-order numerical errors of simplified 2D GK equations were found to be more problematic for low-harmonic modes and low aspect ratio geometries such as spherical tokamaks. On the other hand, the directional 3D FDM can accurately resolve a much wider range of harmonic modes aligned to the direction of interest, including the low-harmonic modes. In conclusion, we demonstrate that the directional 3D FDM is a highly effective algorithm for solving the 3D GK field equations, achieving accuracy improvements of 10 to 100 times or more, particularly for low-harmonic modes in spherical tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

An analysis of alcohol compression ignition strategies on different engine platforms

Strategies that enable ignition of the low cetane alcohol fuels (methanol and ethanol) include intake heating (direct or via hot residual trapping), increased compression ratio (CR), multi-injection strategies, ignition enhancers, and active prechambers. The literature consistently shows alcohol compression ignition (CI) is more efficient than diesel at high loads irrespective of ignition strategy but shows contradictory results at low loads. To understand this, this work combines data from four different engine platforms ranging from a displaced volume of 0.4 to 2.1 L/cyl. using different alcohol CI ignition strategies. Using modeling to support experimental analysis, alcohol-specific efficiency penalties are highlighted to inform alcohol combustion system development. The alcohols’ lower energy density means more fuel must be injected near top dead center to achieve a given load, increasing the relative penalty of sensible/latent heating. Pilot injections help reduce this penalty. Intake heating incurs both a heat transfer penalty and a thermodynamic penalty due to a reduced ratio of specific heats during compression. A strategy that combines elevated CR, large pilot injections, and ignition enhancers can avoid this penalty. Alternatively, a prechamber strategy can achieve this without changing the CR, nor needing ignition enhancers in the fuel. At low loads, diesel burns in a partially premixed mode characterized by high burn rates and low heat losses, reducing alcohol-specific combustion benefits. Alcohol CI on the light-duty platform showed abnormally high heat transfer over diesel compared to other platforms, favoring a more premixed/partially premixed strategy despite a combustion efficiency tradeoff.

33 ADVANCED PROPULSION SYSTEMS

Near wake evolution of a tidal stream turbine due to asymmetric sheared turbulent inflow with different integral length scales

Tidal stream turbines deployed at highly energetic open water sites are subjected to sheared inflow in the rotor plane. The inflow shear is expected to cause asymmetric loading on the rotor blades and affect the downstream wake. In the current study, two different turbulent inflow conditions, static-high shear and dynamic shear, were generated via an active-grid turbulence generator. A 1:20 scaled three-bladed horizontal axis tidal turbine model was tested in those conditions. The results were compared to a quasi-laminar case with no imposed turbulence or shear. The results show that the high shear reduces the average performance, with a drop of up to 16% in the optimal power coefficient. Besides, the shear profiles increase torque fluctuations and induce significant differences in wake hydrodynamics between the high-speed (upper) and low-speed (lower) regions. The large integral length scales further enhance the load fluctuations perceived by the rotor but have a negligible effect on the mean wake field quantities and the wake recovery. The lower half region featured a faster breakdown of tip vortex structure and a rapid drop of swirl number, a phenomenon conjectured to be a consequence of the strong turbulence intensities and Reynolds stresses in the lower half region. Furthermore, the sheared turbulent inflow also results in a very intensive energy redistribution process towards large-scale, low-frequency motions, which is important to the downstream turbines.

16 TIDAL AND WAVE POWER

Effects of co-adsorbed water on different bond cleavages involved in acetic acid decomposition on Pt (111)

Acetic acid decomposition on Pt (111) in the presence of co-adsorbed water is a good model system for oxygenate decomposition on Pt (111) in aqueous phase, with application in hydrogen production and biomass conversion. Here, in this study, we present a density functional theory (DFT) theory calculation of how co-adsorbed water affects different bond cleavages of acetic acid decomposition on Pt (111). The presence of co-adsorbed water generally enhances O$-$H bond cleavage while inhibiting OC$-$O and OC$-$OH bond cleavage. The influence of co-adsorbed water on C$-$H bond cleavage varies the most and depends on the nature of the transition state and how co-adsorbed water stabilizes the initial and final state. Although these trends are useful as general guidance, they are not sufficient to predict the effect on a complex reaction network such as acetic acid decomposition on Pt (111) which has several parallel reaction paths with similar energies. In the absence of co-adsorbed water, the two lowest energy pathways are decarboxylation (DCX) and decarbonylation (DCN) pathways through a common CH 2 COO intermediate, in which the DCX pathway (C$-$H bond cleavage of CH 2 COO) is more favorable than DCN pathway (OC$-$O bond cleavage of CH 2 COO). In the presence of co-adsorbed water, the energy difference between Csingle bondH bond cleavage and OC$-$O bond cleavage of CH 2 COO increases, suggesting an increase in the favorability of acetic acid decarboxylation (formation of carbon dioxide) over acetic acid decarbonylation (formation of carbon monoxide) on Pt (111).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions

Hydrolysis is a fundamental family of chemical reactions where water facilitates the cleavage of bonds. The process is ubiquitous in biological and chemical systems, owing to water’s remarkable versatility as a solvent. However, accurately predicting the feasibility of hydrolysis through computational techniques is a difficult task, as subtle changes in reactant structure like heteroatom substitutions or neighboring functional groups can influence the reaction outcome. Furthermore, hydrolysis is sensitive to the pH of the aqueous medium, and the same reaction can have different reaction properties at different pH conditions. In this work, we have combined reaction templates and high-throughput ab initio calculations to construct a diverse data set of hydrolysis free energies. The developed framework automatically identifies reaction centers, generates hydrolysis products, and utilizes a trained graph neural network (GNN) model to predict ΔG values for all potential hydrolysis reactions in a given molecule. The long-term goal of the work is to develop a data-driven, computational tool for high-throughput screening of pH-specific hydrolytic stability and the rapid prediction of reaction products, which can then be applied in a wide array of applications including chemical recycling of polymers and ion-conducting membranes for clean energy generation and storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Lowering the Scaling of Self-Consistent Field Methods by Combining Tensor Hypercontraction and a Density Difference Ansatz

We present the tensor hypercontraction difference self-consistent field (SCF) method, an approach that reduces the formal computational scaling of traditional naive self-consistent field methods from 𝑂(𝑁 4 ) to 𝑂(𝑁 3 ) with system size 𝑁. The scaling reduction is achieved by developing a new technique for constructing the tensor hypercontraction decomposition based on the fundamental approximation made in density fitting. Combining this scheme with the difference self-consistent field methodology, we achieve a method that enables 𝑂(𝑁 3 ) scaling SCF calculations with only 𝑂(𝑁 2 ) storage requirements. In conclusion, our proof-of-concept numerical tests demonstrate robust performance with errors in total energies below 8 × 10 –4 E h and with sub 1 kcal/mol errors for relative energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Similar but Different: Structural and Spectroscopic Characterization of Series of Neodymium, Europium, Americium, and Curium Coordination Complexes

Series of curium, americium, europium, and neodymium complexes with five different polyoxometalate (POM) ligands were structurally and spectroscopically characterized: Na x Cs y H z [M(XW 11 O 39 ) 2 ]· n H 2 O, where M = Nd 3+ , Eu 3+ , Am 3+ , or Cm 3+ and X = B 3+ , Ga 3+ , Si 4+ , Ge 4+ , or P 5+ . This first “serial approach” on transplutonium chemistry was allowed by minimizing the amount of f-element needed per synthesis down to ∼10 μg. This offers a unique opportunity to contrast structural and spectroscopic properties of trivalent actinide with those of lanthanide compounds under identical conditions. The results showcase that although actinide(III) and lanthanide(III) can make isostructural complexes, their solid-state coordination chemistries deviate significantly. The curium and americium compounds were found to be more uniform than their europium and neodymium counterparts, respectively. The particular symmetry of the Cm-POMs also enables the observation of rarely seen emission bands, which hints at vibronic coupling or new emissive pathways. Additionally, the Cm-POM and Eu-POM complexes were characterized via steady-state and time-resolved excitation and emission spectroscopy in solutions containing five different counterions (Li + , Na + , K + , Rb + , or Cs + ), representing 50 combinations of alkali/[M III (XW 11 ) 2 ] n − complexes. The Cm-POMs respond to the alkali counterions by improving symmetry from Li + to Cs + , while the Eu-POMs do the opposite. The luminescence lifetimes of the Cm-POMs also depart from the ideal Kimura equation. Finally, this study provides a rare, and perhaps the most comprehensive, experimental data set comparing heavy actinides and lanthanides via single crystal XRD plus, solution-state, solid-state, and time-resolved emission spectroscopy and demonstrates that lanthanides are only a coarse approximation for actinide elements.

chemical structure

Similarities in Meteorological Composites Among Different Atmospheric River Detection Tools During Landfall Over Western Coastal North America

Many atmospheric river detection tools (ARDTs) have been developed over the past few decades to identify atmospheric rivers (ARs). Different ARDTs have been observed to capture a variety of frequencies, shapes, and sizes of ARs. Due to this, questions have arisen about the underlying phenomena associated with the detected ARs: do all ARDTs detect the same meteorological phenomena? In this paper, we assess eight ARDTs and investigate the underlying synoptic scale phenomena during landfalling ARs along the west coast of North America. We find that during landfalling AR events, prevalent low-pressure and high-pressure systems converge and enhance moisture influx toward the landfalling site. We identify that all eight ARDTs identify AR conditions associated with baroclinic waves, with the region of intense integrated vapor transport (IVT) located downstream of the upper level (500 hPa) trough. The magnitude of IVT is enhanced by the strength of the pressure gradients in the confluence region. Although the ARDTs assessed agree on the general phenomena, there are however subtle differences in each ARDT per the clustering analysis we performed. We conclude that the eight ARDTs identify similar underpinning synoptic scale meteorological phenomena.

54 ENVIRONMENTAL SCIENCES

Investigating Mechanisms Driving Differences in the Characteristics of Precipitation in the E3SM Multiscale Modeling Framework With 2D Versus 3D Cloud Resolving Model Configurations

Abstract In this study, we compare the Energy Exascale Earth Systems Model (E3SM) multiscale modeling framework (MMF) with the cloud resolving model (CRM) configured in two (2dMMF) and three (3dMMF) dimensions. We explore how CRM dimensionality impacts the representation of mean and extreme precipitation characteristics. Our results show that tropical mean precipitation patterns are better represented in 3dMMF compared to observations (Integrated Multi‐satellitE Retrivals for GPM and Global Precipitation Climatology Project One Degree Daily products), while 2dMMF better captures extreme precipitation intensity, with systematic land‐ocean differences in precipitation and cloud‐associated variables. These differences are attributed to the co‐occurrence of CRM throttling (i.e., suppressed convection in due to smaller numbers of CRM columns and domain size) and dilution (i.e., 3‐D cloud circulations with increased entrainment and lower precipitation efficiency) effects. Overall, throttling results in more low‐level humidity in 2dMMF and dilution contributes to more high clouds with less precipitation efficiency in 3dMMF. Since throttling occurs more strongly over the ocean than land, the 3dMMF tends to have less cloud liquid and precipitation over the ocean and more cloud ice and precipitation over land. These results may serve as a guide for choosing the CRM structure to reduce precipitation and cloud‐related biases.

54 ENVIRONMENTAL SCIENCES

Urban Land Surface Effects on Summertime Clouds and Moist Convection in Houston Under Different Synoptic Conditions

Urban landscapes modify cloud formation and convection through complex thermodynamic and aerodynamic processes; however, their influence under different synoptic regimes remains poorly understood. This study investigates the impact of the Houston metropolitan area on summertime cloud cover and convective cell characteristics using a combination of satellite observations, radar data, and high-resolution process-based modeling. We isolate urban effects by comparing model simulations with realistic urban land cover against hypothetical scenarios where all urban areas are replaced by rural vegetation. Results reveal that Houston's land cover consistently enhances cloud fraction and convective activity relative to surrounding rural areas, altered by large-scale meteorological forcing. Under weakly forced conditions, enhanced surface heat flux primarily contributes to driving low-level convergence and vertical ascent, leading to over 8% cloud fraction increase between 2 and 6 km over the city. Under strongly forced conditions, urban influences manifest differently depending on cloud type. For non-convective clouds, the city acts as a barrier that decelerates and lifts moist southerly inflow, increasing low cloud cover over the urban core, while decreasing it downwind the city. For convective clouds, both synoptic ascent and urbanization modulate moisture redistribution and cloud structure, producing modest cloud enhancement over the city and slight suppression over the downwind area. Urbanization exerts small changes in the intensity of the convective cells; however, it significantly decreases their duration and traveling distance. This work highlights the importance of accounting for land surface heterogeneity in modeling clouds and precipitation and demonstrates that urban impacts on clouds are highly regime-dependent.

Liu, Ye [Pacific Northwest National Laboratory (PN