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At least 1,261 records · Page 70

The Ice Particle and Aggregate Simulator (IPAS). Part III: Verification and Analysis of Ice–Aggregate and Aggregate–Aggregate Collection for Microphysical Parameterization

Abstract The Ice Particle and Aggregate Simulator (IPAS) is used to theoretically represent the aggregation process of ice crystals. Aggregates have a variety of formations based on initial ice particle size, shape, and falling orientation, all of which influence water phase partitioning. Aggregate dimensional properties and density changes are calculated for monomer–monomer (MON–MON), monomer–aggregate (MON–AGG), and aggregate–aggregate (AGG–AGG) collection to be used by ice-microphysical models for improvement in aggregation parameterizations. Aggregates are chosen from a database of 9 744 000 preformed combinations to be further collected (see Part II). AGG–AGG collection results in more extreme and a smaller range of aggregate aspect ratios than MON–AGG collection. A majority of aggregates are closer to prolate than oblate spheroids, regardless of collection type, except for quasi-horizontally oriented particles that have extreme aspect ratios to begin with. MON–AGG collection frequently results in an increase in density upon collection, whereas MON–MON and AGG–AGG collection almost always result in particle density decreases, with extreme reductions near 99% for MON–MON collection. MON–MON collection results in the greatest decreases in density but then quickly becomes unaffected by the addition of more monomers due to inherent size differences between monomers and aggregates. Finally, a holistic analysis to in situ observations of cloud particle images is presented. IPAS 2D aspect ratios surround a median value of 0.6 and closely follow that of previous studies while varying by no more than ≈12% on average from observed aggregates.

54 ENVIRONMENTAL SCIENCES↗

Predicting drug-metagenome interactions: Variation in the microbial β-glucuronidase level in the human gut metagenomes

Characterizing the gut microbiota in terms of their capacity to interfere with drug metabolism is necessary to achieve drug efficacy and safety. Although examples of drug-microbiome interactions are well-documented, little has been reported about a computational pipeline for systematically identifying and characterizing bacterial enzymes that process particular classes of drugs. The goal of our study is to develop a computational approach that compiles drugs whose metabolism may be influenced by a particular class of microbial enzymes and that quantifies the variability in the collective level of those enzymes among individuals. The present paper describes this approach, with microbial β-glucuronidases as an example, which break down drug-glucuronide conjugates and reactivate the drugs or their metabolites. We identified 100 medications that may be metabolized by β-glucuronidases from the gut microbiome. These medications included morphine, estrogen, ibuprofen, midazolam, and their structural analogues. The analysis of metagenomic data available through the Sequence Read Archive (SRA) showed that the level of β-glucuronidase in the gut metagenomes was higher in males than in females, which provides a potential explanation for the sex-based differences in efficacy and toxicity for several drugs, reported in previous studies. Our analysis also showed that infant gut metagenomes at birth and 12 months of age have higher levels of β-glucuronidase than the metagenomes of their mothers and the implication of this observed variability was discussed in the context of breastfeeding as well as infant hyperbilirubinemia. Overall, despite important limitations discussed in this paper, our analysis provided useful insights on the role of the human gut metagenome in the variability in drug response among individuals. Importantly, this approach exploits drug and metagenome data available in public databases as well as open-source cheminformatics and bioinformatics tools to predict drug-metagenome interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Energy Scheduling-based Operating Envelopes including a Distribution System Branch Screening Algorithm

This paper presents an energy scheduling-based formulation for computing operating envelopes including a distribution branch screening algorithm, termed DBS-ES. The contribution of the paper is two-fold: firstly, it presents an innovative methodology for calculating operating envelopes using energy scheduling (baseline), and secondly, it enhances this methodology by incorporating a custom distribution branch screening algorithm (DBS-ES). The custom algorithm leverages power system knowledge to reduce both model build time and total processing time while maintaining the same scheduling results as the baseline. The effectiveness of the proposed approach is demonstrated through experiments on the IEEE13, IEEE123, and EPRI Secondary test feeders. Results highlight a 24.5% decrease in model build time and an 8.17% decrease in total processing time when using DBS-ES compared to the baseline, specifically for the IEEE123 test feeder. Additionally, the paper briefly discusses the influence of utility-controlled storage on computing operating envelopes, noting a general incre

24 POWER TRANSMISSION AND DISTRIBUTION↗

Influence of liquid conductance on the temporal evolution of self-organization patterns in atmospheric pressure DC glow discharges

Abstract Self-Organized Patterns (SOPs) at plasma-liquid interface in atmospheric pressure plasma discharges refer to the formation of intricate and puzzling structures due to the interplay of electrodynamic and hydrodynamic processes. Studies conducted to date have shown that this phenomenon results in the formation of distinctive patterns such as circular ring, star, gear, dots, spikes, etc., and primarily depends on working gas, electrolyte type, gap distance, current, conductivity, etc. However, an adequate understanding of how these patterns change from one type to another is still not available. This study aims to elucidate the influence of initial liquid conductance ( σ i ) on the temporal evolution of SOPs in liquid-anode discharges. The discharge was generated in a pin-to-liquid anode configuration at a constant helium (He) flow rate of 500 sccm and DC applied voltage of 6 kV at a gap distance of 12 mm. Through the gradual increment of σ i from 1.8 μ S to 4820 μ S, we observe that the trend in the evolution of SOPS takes place as solid discs, spikes, dots, rings, double rings, and stars. The continuous formation of reactive species onto the liquid anode in all conductive solutions results in a decrease in pH, an increase in bulk liquid temperature, and an increase in total dissolved solutes, and these have been confirmed through experimental measurements. Observations using optical emission spectroscopy show that the electrons at the plasma-liquid interface participate in the reduction of cations followed by their excitation & ionization due to which electron density as well as emissions from excited species (mainly hydroxyl radicals & excited nitrogen) decrease with time. Our investigation provides experimental evidence on the presence of cations at the plasma-liquid interface required for SOP formation.

Physics↗

Source apportionment of soot particles and aqueous-phase processing of black carbon coatings in an urban environment

Abstract. The impacts of soot particles on climate and human health depend on the concentration of black carbon (BC) as well as the thickness and composition of the coating material, i.e., organic and inorganic compounds internally mixed with BC. In this study, the size-resolved chemical composition of BC-containing aerosol was measured using a high-resolution soot particle aerosol mass spectrometer (SP-AMS) during wintertime in Fresno, California, a location influenced by abundant combustion emissions and frequent fog events. Concurrently, particle optical properties were measured to investigate the BC absorption enhancement. Positive matrix factorization (PMF) analysis was performed on the SP-AMS mass spectral measurements to explore the sources of soot particles and the atmospheric processes affecting the properties of BC coatings. The analysis revealed that residential woodburning and traffic are the dominant sources of soot particles. Alongside primary soot particles originating from biomass burning (BBOABC) and vehicles (HOABC) two distinct types of processed BC-containing aerosol were identified: fog-related oxidized organic aerosol (FOOABC) and winter-background OOABC (WOOABC). Both types of OOABC showed evidence of having undergone aqueous processing, albeit with differences. The concentration of FOOABC was substantially elevated during fog events, indicating the formation of aqueous secondary organic aerosol (aqSOA) within fog droplets. On the other hand, WOOABC was present at a relatively consistent concentration throughout the winter and was likely related to the formation of secondary organic aerosol (SOA) in both the gas phase and aerosol liquid water. By comparing the chemical properties and temporal variations in FOOABC and WOOABC, we gain insights into the key aging processes of BC aerosol. It was found that aqueous-phase reactions facilitated by fog droplets had a significant impact on the thickness and chemical composition of BC coatings, thereby affecting the light absorption and hygroscopic properties of soot particles. These findings underscore the important role of chemical reactions occurring within clouds and fogs and influencing the climate forcing of BC aerosol in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗

Leveraging inter-firm influence in the diffusion of energy efficiency technologies: An agent-based model

Energy efficiency technologies (EETs) are crucial for saving energy and reducing carbon dioxide emissions. However, the diffusion of EETs in small and medium-sized enterprises is rather slow. Literature shows the interactions between innovation adopters and potential adopters have significant impacts on innovation diffusion. Enterprises lack the motivation to share information, and EETs usually lack observability, which suppress the inter-firm influence. Thus, an information platform, together with proper policies encouraging or forcing enterprises to disclose EET-related information, should help harness inter-firm influence to accelerate EETs' diffusion. To explore whether and how such an information platform affects EETs' diffusion in small and medium-sized enterprises, this report builds an agent-based model to mimic EET diffusion processes. Based on a series of controlled numerical experiments, some counter-intuitive phenomena are discovered and explained. The results show that the information platform is a double-edged sword that notably accelerates EETs' diffusion by approximately 47% but may also boost negative information to diffuse even faster and delay massive adoption of EETs. Increasing network density and the intensity of inter-firm influence are effective to speed EET diffusion, but their impacts diminish drastically after reaching some critical values (0.05 and 0.15 respectively) and eventually harm the stability of the system. Ultimately, the findings implicate that EET suppliers should carefully launch their promising but immature products; policies that can reduce the perceived risk by enterprises and the effort to maintain an informative rather than judgmental information platform can prominently mitigate the negative side effects brought by high fluidity of information.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Toward UV models of kinetic mixing and portal matter. V. Indirect probes of the new physics scale

Kinetic mixing of the dark photon, the gauge boson of a hidden U ( 1 ) D , with the Standard Model (SM) gauge fields to induce an interaction between ordinary matter and dark matter (DM) at 1-loop requires the existence of portal matter (PM) fields having both dark and SM charges. As discussed in earlier work, these same PM fields can also lead to other loop-level mechanisms besides kinetic mixing that can generate significant interactions between SM fermions and the dark photon in a manner analogous to those that can be generated between a Dirac neutrino and a SM photon, i.e., dark moments. In either case, there are reasons to believe, e.g., due to the renormalization group equation running of the U ( 1 ) D gauge coupling, that PM fields may have ∼ TeV -scale masses that lie at or above those directly accessible to the HL-LHC. If they lie above the reach of the HL-LHC, then the only way to possibly explore the physics at this high scale in the short term is via indirect measurements made at lower energies, e.g., at lepton colliders operating in the m Z to 1 TeV range. In particular, processes such as e + e − → γ + DM or e + e − → f ¯ f , where f is a SM fermion, may be most useful in this regard. Here we explore these possibilities within the framework of a simple toy PM model, introduced in earlier work, based on a non-Abelian dark gauge group completion operating at the PM scale. In the kinetic mixing setup, we show these efforts fail due to the inherently tiny cross sections in the face of substantial SM backgrounds. However, in the case of interactions via induced dark moments, since they necessarily take the form of higher dimensional operators whose influence grows with energy, we show that access to PM-scale information may become possible for certain ranges of the toy model parameters for both of these e + e − processes at a 1 TeV collider. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Experimental analysis of conductive drying of paper and board

The primary heat transfer source in the conventional multi-cylinder drying of paper and board is conduction. Conduction is facilitated by high-tension contact with steam-heated cylinders, while convective drying, the main mass transfer source, operates as heated air flows over the paper web in the pockets. This conduction process occurs at elevated temperatures and contact pressures to ensure effective contact between the wet paper web and the heated cylinders. The contact pressures and temperatures of the hot surface significantly influence the conductive drying characteristics. This research paper presents an experimental study that involves designing a simple lab-scale setup with in-situ and continuous sensing capabilities for various commercially available grades of paper and board. Embedded thermocouples measure the temperatures of the heated platen and the sheet, allowing the collection of flux data to determine heat transfer characteristics. Here, the goal of this study is to ascertain the instantaneous contact coefficients for different basis weights as a function of moisture content. The acquired data will provide valuable insights and information towards process development, design and simulation of the paper drying process.

42 ENGINEERING↗

Population genomics and history of speciation reveal fishery management gaps in two related redfish species ( Sebastes mentella and Sebastes fasciatus )

Abstract Understanding the processes shaping population structure and reproductive isolation of marine organisms can improve their management and conservation. Using genomic markers combined with estimation of individual ancestries, assignment tests, spatial ecology, and demographic modeling, we (i) characterized the contemporary population structure, (ii) assessed the influence of space, fishing depth, and sampling years on contemporary distribution, and (iii) reconstructed the speciation history of two cryptic redfish species, Sebastes mentella and S. fasciatus . We genotyped 860 individuals in the Northwest Atlantic Ocean using 24,603 filtered single nucleotide polymorphisms (SNPs). Our results confirmed the clear genetic distinctiveness of the two species and identified three ecotypes within S. mentella and five populations in S. fasciatus . Multivariate analyses highlighted the influence of spatial distribution and depth on the overall genomic variation, while demographic modeling revealed that secondary contact models best explained inter‐ and intragenomic divergence. These species, ecotypes, and populations can be considered as a rare and wide continuum of genomic divergence in the marine environment. This acquired knowledge pertaining to the evolutionary processes driving population divergence and reproductive isolation will help optimizing the assessment of demographic units and possibly to refine fishery management units.

Benestan, Laura M.↗

Correlation of Early-Stage Growth Process Conditions with Dislocation Evolution in MOCVD-Based GaP/Si Heteroepitaxy

To identify the complex relationships between early-stage growth processes and the resultant defect microstructure in GaP/Si heteroepitaxy, a holistic study of several key metal-organic chemical vapor deposition (MOCVD) parameters was conducted, focusing on Si surface preparation and GaP atomic layer epitaxy (ALE) based nucleation processes. Here, crystalline defects related to the lattice mismatch and/or interfacial heterovalency, namely misfit dislocations (MD), threading dislocations (TD), and stacking fault pyramids (SFP), were quantitatively characterized via electron channeling contrast imaging (ECCI) and correlated against the different process variations. Choice of Si surface preparation method between the two examined (dilute SiH4 annealing versus Si2H6 based homoepitaxy) had little impact on resultant GaP film morphology and defect content, whereas differing GaP ALE nucleation conditions produced much more substantial changes. In particular, the initial precursor species (tert-butylphosphine versus triethygallium) and ALE cycle purge times both yielded significant influence over threading dislocation densities (TDD) in thin (100 nm), post-critical thickness GaP/Si films, with TDD spanning two orders of magnitude, from 6.7×10 7 cm -2 to 7.1×10 5 cm -2 , depending on the specific process conditions employed. SFP densities were also found to follow a similar trend, ranging from 2.0×10 7 cm -2 to 1.8×10 5 cm -2 , but with no apparent causal relationship between SFP density and TDD. To help explain the dramatic differences observed, detailed, large-area MD network characterization was used to provide statistically-relevant quantitative analyses of the critical dislocation dynamics (introduction rates and glide velocities) associated with the different process variants. These extracted values are then correlated against the ALE process variants to provide insight into the potential mechanistic roles of the different growth processes.

36 MATERIALS SCIENCE↗

Influence of Molybdenum on Rapid Solidification Microstructure and Microsegregation in Primary Ferrite Solidified Stainless Steel

Due to the widespread use and familiarity of austenitic stainless steels in many industries these alloys are often the first materials used when adapting new processing techniques. The rapid cooling and solidification rates that occur during fusion based additive manufacturing processes like powder bed fusion cause a fundamental shift in the solidification behavior of the material. While the effects that Cr and Ni have on the microstructure have been fairly well documented across a range of solidification conditions, the impact of alloying elements like Mo are not as well understood at rapid solidification rates. For this study, four custom stainless steel alloy feedstocks were made with targeted modification of the Cr and Mo concentrations to maintain a constant Cr/Ni eq ratio of ~1.7. Two-piston splat quenching was used to produce rapidly solidified samples and the solidification mode, phase, and cell size were investigated. Solidification rates were estimated to be between 0.4 and 1.5m/s. A comparison of the microsegregation and partitioning behavior of Cr, Ni and Mo in ferrite solidified material was also performed for the different alloy compositions. Variations of the Mo concentration between each feedstock showed no measurable influence on the solidification/cooling rates, solidification morphology, or the partitioning of Mo. Furthermore, higher concentrations of Mo were found to significantly increase the amount of ferrite phase in the microstructure by suppressing the ferrite to austenite massive transformation.

36 MATERIALS SCIENCE↗

Investigating the Evolution of Ice Particle Distributions in Mixed-Phase Clouds

The goal of this project is to conduct modeling studies that focus on the processes that control the macrophysical and microphysical properties of mixed phase clouds, such as the partitioning of water phase and the processes that promote precipitation and govern cloud evolution. The process specific to this project is the collection of vapor-grown non-spherical ice crystals and snow hydrometeors through aggregation, as uncertainty remains in the evolution of particle properties as they aggregate. To aid in the understanding of ice particle evolution from pristine monomers to aggregates, the aggregation process is depicted using an offline simulator for ice crystal collection, namely the Ice Particle and Aggregate Simulator (IPAS). Of particular interest in the context of this work is the influence of monomer habit on aggregation and subsequently on cloud microphysical structure. This overarching goal has been completed by conducting modeling studies using the Adaptive Habit Model (AHM) in mixed-phase cloud systems, which predicts and evolves ice shape. While the AHM is designed with physical detail in mind, those details may be lost on larger spatial or temporal scales. Hence, how the contributions of particle growth and collection control the evolution of ice particle size distributions (PSDs) and redistribute mass within the cloud and at the surface has been investigated. Analyses include microphysical sensitivity investigations that inform on future improvement capabilities of microphysical parameterizations in larger scale models. Further, improvements of processes within ice clouds have resulted from this work as the environmental processes controlling ice crystal growth, microphysical processes, and precipitation are inherently integrated within this investigation.

54 ENVIRONMENTAL SCIENCES↗

Influence of pre-existing defects on thermal transport in nuclear graphite

Nuclear graphite is a critical material in high-temperature nuclear reactors due to its superior thermal and mechanical properties. The manufacturing process leaves multi-scale ‘pre-existing’ defects that can affect thermal transport characteristics. Because these defects are remnant of graphitization temperature, they cannot be thermally annealed. This study employs a non-thermal electron wind force (EWF) annealing technique to avoid this obstacle. 2 min of EWF treatment of the as-received graphite IG-110 at temperatures below 100 °C led up to 67% increase in thermal diffusivity and ~ 35% decrease in electrical resistivity in average. Differential scanning calorimetry also showed similar outcome for specific heat. X-ray diffraction characterization was performed by fitting a bi-modal crystallite size distribution model to reveal the enhancement in crystallinity after the EWF treatment. The findings emphasize the potential of EWF annealing for optimizing thermal performance in nuclear graphite and its implications for reactor efficiency and safety.

Annealing↗

Investigation of hydrometeorological influences on reservoir releases using explainable machine learning methods

Long short-term memory (LSTM) networks have demonstrated successful applications in accurately and efficiently predicting reservoir releases from hydrometeorological drivers including reservoir storage, inflow, precipitation, and temperature. However, due to its black-box nature and lack of process-based implementation, we are unsure whether LSTM makes good predictions for the right reasons. In this work, we use an explainable machine learning (ML) method, called SHapley Additive exPlanations (SHAP), to evaluate the variable importance and variable-wise temporal importance in the LSTM model prediction. In application to 30 reservoirs over the Upper Colorado River Basin, United States, we show that LSTM can accurately predict the reservoir releases with NSE ≥ 0.69 for all the considered reservoirs despite of their diverse storage sizes, functionality, elevations, etc. Additionally, SHAP indicates that storage and inflow are more influential than precipitation and temperature. Moreover, the storage and inflow show a relatively long-term influence on the release up to 7 days and this influence decreases as the lag time increases for most reservoirs. These findings from SHAP are consistent with our physical understanding. However, in a few reservoirs, SHAP gives some temporal importances that are difficult to interpret from a hydrological point of view, probably because of its ignorance of the variable interactions. SHAP is a useful tool for black-box ML model explanations, but the hydrological processes inferred from its results should be interpreted cautiously. More investigations of SHAP and its applications in hydrological modeling is needed and will be pursued in our future study.

54 ENVIRONMENTAL SCIENCES↗

Sediment transport and morphodynamic changes due to upstream variation and sea level rise on the Western Mekong Delta, Vietnam

The hydrological and morphological dynamics across the Vietnam Mekong Delta (VMD) coastline are increasingly shaped by human interventions and climate change, affecting the sustainability of socio-economic environments. This study employs the TELEMAC-MASCARET modeling system (TELEMAC-2D, TOMAWAC, and SISYPHE modules) to simulate hydrodynamics, sediment transport, and morphological changes for a 10-year period under baseline (SC1) and future climate (SC2) scenarios, considering wave climatology of Northeast (NEM) and Southwest monsoons (SWM). The results of sedimentation and erosion were analyzed across five key coastal zones from Ca Mau Cape (KV1) to Ha Tien (KV5). Model results highlight distinct seasonal patterns of sediment redistribution shaped by monsoonal flows, wave action, and seabed morphology. During the NEM, sediment deposition is concentrated near estuarine zones, while the SWM favors offshore sediment accumulation due to perpendicular wave actions, and shallow, gently sloping bathymetry that dissipates wave energy. Coastal erosion predominantly occurs at convex shoreline features subjected to stronger coastal currents, particularly in fine-grained sediment areas. Under future sea level rise and land subsidence scenarios, reduced flow velocities lead to lower bottom shear stress, promoting deposition and mitigating erosion problems despite increased wave energy. Besides that, sediment transport analyses across 14 cross-sections (C-S) reveal a southward trend during the NEM and a northward reversal during the SWM, with upstream sediment reductions primarily influencing near-estuarine zones and exerting minimal impact beyond the mid-coastal regions. Furthermore, these findings advance the understanding of sediment redistribution processes under climate change and seasonal change, and provide a scientific basis for adaptive coastal management and sustainable development.

Climate change↗

A coupled equilibrium boundary layer model with stable water isotopes and its application to local water recycling

The contribution of evapotranspiration (ET) to regional precipitation, known as “local water recycling”, is a key process in the water cycle that can affect water management. However, the amount of planetary boundary layer (PBL) moisture that arises from ET is highly uncertain due to complex atmosphere and land surface conditions. In this study, an idealized two-layer equilibrium boundary layer model was coupled with a stable water isotope module including HDO and H 2 18 O to constrain PBL growing season water transport processes. The model was validated using turbulent heat fluxes and isotope ratios of water vapor (δ m ) and precipitation (δ P ) measured at a cropland site and a nearby tall tower in the Upper Midwest, United States. The results show that the PBL equilibrium features of δ m and δ P are well-constrained by thermal and moisture equilibrium in the PBL. For this study region, the summer values of rain evaporation fraction (f) and local water recycling ratio (LRR) are estimated to be 0.09 and 0.29 ± 0.12, respectively. The summer LRR values for the years 2006–2010 were 0.35, 0.36, 0.17, 0.29, and 0.29, respectively. The small value of LRR in 2008 corresponded to a drought condition with the lowest precipitation and second lowest ET among the five years. The summer magnitude of the amount effect is –2.8‰ (mm day –1 ) –1 and –0.8‰ (mm day –1 ) –1 for HDO and H 2 18 O, respectively. The local water recycling is identified as a significant factor influencing the continental isotope effect. Cropland has likely changed the regional LRR by –7.6 to 19.5% under different pre-agriculture land use scenarios. In conclusion, the feedback processes revealed here indicate that local water recycling is expected to be weakened under drought conditions, but it will be enhanced if irrigation is applied more intensely with more frequent drought events as the climate continues to warm.

54 ENVIRONMENTAL SCIENCES↗

Porous architecture and thermal properties of thermal barrier coatings deposited by suspension plasma spray

Besides the intrinsic low heat transfer capability of material, the thermal insulation property of thermal barrier coatings (TBCs) also relies on their microstructures. For better understanding the relationship between process parameters, porous architecture, and thermal properties of coatings, YSZ coatings were firstly manufactured by suspension plasma spray (SPS). Afterwards their total porosities were characterized by using the technique of X-ray transmission, the nano/submicro pores in those coatings were detected with Ultra-Small Angle X-ray Scattering (USAXS), and the thermal properties of coatings were measured using the laser flash method. The results indicated that: i) the porous architecture of SPS coatings can be tailored by adapting process parameters. ii) increasing total porosity is an effective means for reducing the heat transfer capability of SPS coatings. iii) nano/submicro pores have higher influence sensitivity on thermal properties than that of larger pores. Increasing the content of nano-submicro pores is therefore more effective for improving the thermal insulation property of SPS coatings. The potential of SPS technique for fabricating TBCs was discussed as well.

36 MATERIALS SCIENCE↗