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At least 991 records · Page 55

Acoustic focusing of microplastics in microfabricated and steel tube devices: An experimental study on the effects from particle size and medium density

The contamination of aquatic systems with microplastics is becoming a severe threat to living organisms. Microplastics found in the environment consist of a wide range of particle sizes thus give rise to several challenges to current purification methods. Acoustic focusing has been utilized as a particle concentrating method in biological and non-biological applications. In this study, we investigate the feasibility of using acoustic focusing technology to isolate microplastics in aqueous samples and find that a two-stage mechanism is essential to concentrate microplastics of wide size ranges of the same material. We demonstrate for the first time experimentally that when the particle size is comparable to the resonance wavelength, they deviate from typical pressure nodal focusing and show pressure antinodal focusing. Further, we have expanded microplastics isolation beyond microfluidic systems and demonstrate their extraction capabilities relatively at higher flow rates using microplastics of polystyrene, polyethylene, and polymethyl methacrylate ranging from 6 µm to 300 µm diameter and in devices fabricated with cylindrical steel tubes. We could extract 70% of microplastics smaller than 180 µm and 82% of microplastics greater than 180 µm in diameter from an aqueous sample at a flow rate of 12 mL/min. In conclusion, we demonstrate that small microplastics focus on acoustic pressure nodes regardless of the medium density. However, focusing of large microplastics of the same material depends on the medium density.

42 ENGINEERING↗

Methane flux from transplanted soil monoliths depends on moisture, but not origin

Soils both produce and consume methane (CH 4 ), a potent greenhouse gas that contributes to climate change. In coastal forests, upland soils are shifting from being CH 4 sinks to sources as sea levels rise, increasingly flooding soils with little prior inundation history. Ecosystem CH 4 budgets are highly uncertain due in part to the difficulty in separating fluxes measured at the soil surface into individual production and consumption processes which are likely to have different responses to future environmental conditions. Here, we measured growing season CH 4 fluxes from soil monoliths transplanted four years prior along an inundation and salinity gradient to determine how changes in abiotic conditions control CH 4 flux rates. To parse net fluxes measured at the soil surface into their component gross rates, we paired field measurements with a stable isotope pool dilution incubation of surface soils. Throughout the growing season, net soil surface CH 4 flux was positively correlated with soil moisture (p < 0.01), with lowland-located soils tending towards CH 4 sources (mean 0.349 ± 1.11 mg CH 4 -C m -2 hr -1 , error is standard deviation) and upland-located soils tending towards CH 4 sinks (-0.003 ± 0.003 mg CH 4 -C m -2 hr -1 ). Transplanted soils’ fluxes were statistically identical to their native neighbors once microtopography-driven differences in soil moisture were controlled for. The pool dilution experiment revealed that production and consumption rates were similar in upland and lowland surface soils (2.82 ± 3.29 µmol CH 4 g -1 dry soil d -1 production, 3.47 ± 2.03 µmol CH 4 g -1 dry soil d -1 consumption), indicating the majority of production likely occurs at depth in lowland soils. Both gross and net fluxes from transplanted soils showed no effect of soil origin after four years, suggesting low resistance of CH 4 cycling to global change drivers. Our results indicate the strength of the coastal forest CH 4 sink is likely to decrease in proportion to sea-level rise.

59 BASIC BIOLOGICAL SCIENCES↗

Resampling and data augmentation for short-term PV output prediction based on an imbalanced sky images dataset using convolutional neural networks

Integrating photovoltaics (PV) into electricity grids is challenged by potentially large fluctuations in power generation. In recent years, sky image-based PV output prediction using convolutional neural networks (CNNs) has emerged as a promising approach to forecasting fluctuations. A key challenge is imbalanced sky image datasets: because of the geography of solar PV system installations, sky image datasets are often rich in sunny condition data but deficient in cloudy condition data. This imbalance contrasts with the fact that model errors are dominated by cloudy condition performance. In this study, we attempt to remedy this by exploring the enrichment and augmentation of an imbalanced sky images dataset for two PV output prediction tasks: nowcasting (predicting concurrent PV output) and forecasting (predicting 15-minute-ahead future PV output). We empirically examine the efficacy of using different resampling and data augmentation approaches to create a rebalanced dataset for model development. A three-stage greedy search is used to determine the optimal resampling approach, data augmentation techniques and over-sampling rate. The results show that for the nowcast problem, resampling and data augmentation can effectively enhance the model performance, reducing overall root mean squared error (RMSE) by an average of 4%, or a 15 std. (standard deviation) of improvement compared to the variability of the baseline model. In contrast, the treatment RMSE for the forecast problem nearly always overlaps the baseline performance at the ± 2 std. level. The optimal resampling approach expands on the original dataset by over-sampling the minority cloudy data, with the best results from large over-sampling rate (e.g., 4 ~ 6 times over-sampling of cloudy images).

14 SOLAR ENERGY↗

Feature review of photovoltaic modeling software utilizing blind performance assessment

While confidence in photovoltaic (PV) modeling software has always been essential, the rapid pace of new PV plant developments makes accuracy and credibility more critical than ever. Independent assessments, particularly through blind modeling comparisons, are therefore necessary to ensure unbiased benchmarking across PV modeling software. Previous studies have been limited by a narrow range of models compared, anonymized results, or system size. This study presents results from the first-ever onymous blind modeling comparison, evaluated using both lab- and utility-scale fixed-tilt, monofacial, south-facing systems at sub-hourly time intervals. Seven commercially used PV software tools were compared: 3E SynaptiQ, PlantPredict, PVsyst, RatedPower, SAM, SolarFarmer, and Solargis Evaluate. Predictions were submitted directly by software representatives, providing unique insights into each software’s implementation and resulting prediction behavior. Notable features, including plane-of-array (POA) transposition model, module temperature model, shading model, and performance model were analyzed and compared. Four summary tables compile these features of the software, serving as a resource to help users understand the methodological differences and select the most suitable software for their applications. The software tools show deviations from mean error in annual yield up to 2.5 % in the lab-scale system, increasing to 6.0 % for the utility-scale system. These differences arise from a combination of user decisions and the inherent behavior of the software, indicating the need for continuous and rigorous validation of modeling methods using these software tools against complex, real-world systems.

14 SOLAR ENERGY↗

Corrosion resistance of high nickel alloys in solar salt at 600 °C for up to 4000 h

This study focuses on the time dependent performance of the corrosion resistance of IN625, H230 and 740H alloys in the solar salt (60 wt% NaNO3, 40 wt% KNO3, at 600 °C) for up to 4000 h. Alloy IN625 showed the lowest mass change with parabolic oxidation kinetics that tends to stabilize with exposure time. Both 740H and H230 alloys deviated from the parabolic oxidation behavior beyond the 3000 h of exposure. Alloy 740H showed the highest mass loss due to the nonuniform surface oxidation and the high chromium dissolution rate. Internal oxidation was noticed with Alloy H230 due to the high tungsten concentrations.

36 MATERIALS SCIENCE↗

To grind or not to grind? The influence of mechanical and thermal treatments on the $\mathrm{Cu/Zn}$ disorder in $\mathrm{Cu}$ 2 $\mathrm{ZnSn}$($\mathrm{S}$ x $\mathrm{Se}$ 1-x ) 4 monograins

We report that Kesterite-type based thin film solar cell technologies are mainly based on polycrystalline absorber layers. A promising low cost alternative technology uses Cu 2 ZnSn(S x Se 1-x ) 4 (CZTSSe) monograins (single crystals of 20–100 μm size) which are fixed in a polymer matrix to form a flexible solar cell. The Cu/Zn disorder is discussed as a possible reason for band tailing causing voltage losses limiting the efficiency of CZTSSe-based devices. The experimental determination of the order parameter Q which is a quantitative measure of Cu/Zn disorder, requires a differentiation between the isoelectronic cations Cu + and Zn 2+ . An in-depth analysis of neutron diffraction data allows the determination of type and concentration of intrinsic point defects including a distinction between Cu and Zn. Neutron diffraction requires large sample volumes, thus monograins offer the unique possibility to correlate structural disorder in CZTSSe with device performance parameters. In this study we tackle the influence of grinding the monograins on stoichiometry deviations, the Cu/Zn disorder as well as intrinsic point defects and optoelectronic properties of CZTSSe monograins. Moreover, an easy methodology based on Raman scattering spectroscopy is proposed for the assessment of Cu/Zn disorder in the CZTSSe compounds.

14 SOLAR ENERGY↗

Long-living excited states of a 2D diamagnetic exciton

Hydrogenic excited states of a 2D exciton are degenerate. In the presence of a weak magnetic field, the -states with a zero momentum of the center of mass get coupled to the -states with finite momentum of the center of mass. This field-induced coupling leads to a strong modification of the dispersion branches of the exciton spectrum. Namely, the lower branch acquires a shape of a “mexican hat” with a minimum at a finite momentum. At certain magnetic field, exciton branches exhibit a linear crossing, similarly to the spectrum of a 2D electron in the presence of spin–orbit coupling. While spin is not involved, degenerate and states play the role of the spin projections. Lifting of degeneracy due to diamagnetic shifts and deviation of electron–hole attraction from purely Coulomb suppresses the linear crossing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Bridging confined phase behavior of CH 4 -CO 2 binary systems across scales

Phase behavior of confined fluids may deviate significantly from that of the bulk fluid due to the fluid-wall interactions being a significant portion of all intermolecular interactions under confinement. Despite recent advancements in understanding confined phase behavior of pure fluids, confined phase behavior of mixtures remains an understudied topic. In this work, we examine the confined phase behavior of a CH 4 -CO 2 binary system by combining Monte Carlo (MC) simulations, a cubic equation of state (EoS), and the lattice Boltzmann method (LBM). First, the effects of confinement on density and phase distribution in nano-size pores are established using Gibbs Ensemble MC calculations, which produce precise results of liquid and vapor confined pressures and account for the modification of the phase change location. By comparing the phase envelopes of bulk and confined mixtures at a fixed temperature, here it is observed that the phase envelopes shrink with reductions in pore size. Based on this observation, we extend a modified Peng-Robinson EoS, which was originally developed for pure fluids under confinement, to mixtures via van-der-Waals-type mixing rules and by accounting for shifts in the critical properties of confined CH 4 -CO 2 . The resulting phase envelopes are in good agreement with the MC data. In addition, a local density model is used in combination with the confined EoS to calculate adsorption isotherms of CH 4 -CO 2 mixtures and to characterize the behavior of confined matter in nanopores. Finally, we incorporate this EoS in a multicomponent multiphase LBM that uses a pseudopotential model to represent intermolecular forces. This workflow utilizes multiscale simulation techniques to bridge the behavior of multicomponent systems across scales and to shed light on the confined phase behavior of CH 4 -CO 2 binary systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Economic and embodied energy analysis of integrated circuit manufacturing processes

Integrated circuits (ICs) are the fundamental microelectronic building blocks of typical information and communication technology (ICT) devices such as laptops and smartphone. With the emergence of faster and cheaper low-power ICs for the growing ICT market, there is a limited information on their manufacturing energy and economic impacts owing to the lack of recurrent upgradation of proprietary IC manufacturing process data. In this work, economic and life cycle energy assessments (LCAs) of IC manufacturing and assembly processes were conducted using the latest bill of materials (BOM) manufacturing data in a state-of-the-art IC manufacturing cost software tool developed by IC Knowledge, LLC. IC manufacturing cost was estimated to be $\$$1.00-$\$$5.00/cm 2 ; the high-end cost represents the most advanced 3D NAND IC technology with the Wafer Level Chip Scale Package cost of $4/cm 2 . Total cumulative energy demand (CED) estimates of IC manufacturing using the OpenLCA software ranged from 9 to 38 MJ/cm 2 or 56–235 BJ/month with the largest share (~ 75%) from on-site energy. The IC manufacturing CED is projected to increase with the progress in IC technology node, which has increased by more than two times for technology node evolution from 110 to 14 nm. Furthermore, the representative detailed BOM data were considered to reduce the CED uncertainties of the estimated standard deviation of 35%- 42%.

97 MATHEMATICS AND COMPUTING↗

Fracture toughness evaluation for Zr-4 clad tubing structure with pellet inserts

Applying fracture mechanics approach to spent nuclear fuel (SNF) system reliability investigation is warranted due to the inherent flaws and hydride structures existed in a SNF system after nuclear reactor operation. However, none of the existing fracture toughness data deal with fuel cladding specific geometry or spent fuel material conditions, such as cladding structure with the pellet-inserts and the associated pellet clad mechanical interactions induced mixed-mode damage mechanisms. Thus, the development of an intrinsic fracture mechanics approach that is suitable for SNF materials is needed. Due to thin wall and small dimension of clad tubing structure, the spiral notch torsion test (SNTT) method of small specimen approach was used to estimate the clad tubing structure fracture toughness. The estimated fracture toughness for Zr-4 cladding with alumina-pellet inserts are presented in this report. For SNTT samples with a short or medium crack length, between 5.4-mm and 8-mm, the estimate JIQ upon fracture initiation for the baseline Zr-4 cladding is at 50 kJ/m2 with 2-sigma uncertainty of 3.26 kJ/m2, and the associated KIQ is at 67.46 MPa√m. For SNTT samples with a long crack length, around 13-mm, the crack initialization is deviated from that of the Mode-I tensile fracture and appears to be a mixed-mode fracture of Mode I – tensile stress and Mode III – out of plane shear stress; the estimated JMQ is at 18.9 kJ/m2, the associated KMQ is at 41.4 MPa√m.

36 MATERIALS SCIENCE↗

Volumetric and shear strain localization throughout triaxial compression experiments on rocks

Deformation localization is a widely observed, but rarely quantified process in the crust. Recent observations suggest that the localization of seismicity and fracture networks can help identify the approach to catastrophic failure. Here, we quantify the localization processes of the volumetric and deviatoric strain components in twelve triaxial compression experiments imaged with X-ray tomography. We capture three-dimensional images of the rock cores during triaxial compressing toward failure, and then calculate the local strain components using digital volume correlation. The divergence and curl of the incremental displacement vector field provide the volumetric and deviatoric components of the strain field. We quantify localization using the proportion of the rock occupied by high magnitudes of the volumetric and deviatoric strains, and the Gini coefficient of these high magnitude strains, which measures the deviation from a uniform process. We find that the vast majority, but not all, of the experiments experience strain localization toward failure. The rocks typically experience their maximum degree of strain localization not immediately preceding failure, but on average at 90% of the failure stress. The volumetric strain tends to localize more than the deviatoric strain. Finally, these observations support using the localization of the volumetric strain, along with the deviatoric strain, to identify the evolution of the precursory phase preceding earthquakes.

58 GEOSCIENCES↗

Evaluation and optimization of flow boiling frictional pressure drop correlations using the data from traditional and next-generation refrigerants in a micro-fin tube

This study presents an experimental evaluation and optimization of flow boiling frictional pressure drop correlations for conventional and next-generation refrigerants in a horizontal micro-fin tube, with particular emphasis on the newly emerging refrigerant blends R-454C and R-455A, for which pressure-drop data in enhanced tubes remain limited. Experiments were conducted with R-410A, R-454C, R-455A, R-134a, R-1234yf, and R-1234ze(E) in a copper micro-fin tube with an inner diameter of 8.468 mm, over mass fluxes ranging from 100 to 300 kg/(m²·s) depending on the refrigerant, and evaporation temperatures of 7, 12, and 14 °C. Frictional pressure gradients were determined from measured total pressure drops after subtracting acceleration pressure drop, and the resulting database was used to assess four existing models: Kuo and Wang (1996), Cavallini et al. (1997), Goto et al. (2001), and Diani et al. (2014). The measured frictional pressure gradient increased with vapor quality and mass flux for all refrigerants and increased further at lower evaporation temperatures, with the overall trend strongly related to liquid viscosity. Among the four correlations, the Goto et al. (2001) model provided the best overall agreement with the measured data before optimization. To further improve prediction accuracy, the Kuo and Wang (1996) and Goto et al. (2001) models were optimized using the complete experimental database. After optimization, both models reduced the overall mean absolute deviation to below 15%, while the optimized Goto et al. (2001) model maintained the best and most consistent overall performance. The results provide new pressure-drop data for next-generation refrigerants and demonstrate that parameter optimization can significantly enhance the applicability of existing micro-fin-tube correlations.

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗

Interactions in misaligned layered materials

The deliberate introduction of stacking faults has been found to induce properties markedly distinct from those of perfectly stacked particles or sheets, with even minute deviations leading to significant alterations in material characteristics. In this review article, we discuss the effects of stacking faults – both linear and rotational – on surface structures influencing ion adsorption, particle–particle affinity governing crystal growth, friction, and electronic properties. In conclusion, our comprehensive overview sheds light on the multifaceted impact of stacking faults on these phenomena, offering insights that bridge multiple disciplines, and provides numerous interdisciplinary research questions, paving the way for future innovations.

36 MATERIALS SCIENCE↗

An evaluation of meteorological data prediction over Washington, D.C.: Comparison of DCNet observations and NAM model outputs

This study presents an example of how outputs of operational and readily-available mesoscale numerical models can be adapted to initialize dispersion calculations within the urban surface roughness layer. Three years of urban meteorological observations from central Washington, DC, are compared against forecast outputs of the North American Mesoscale (NAM) model. NAM wind speed predictions underestimate the observations in light winds and overestimate the measurements in high winds. Average wind directions are consistent. However, an adjustment of the predicted direction of the plume by –20° is needed. The uncertainty associated with this adjustment is large in light NAM wind speed with no evident variation by season. The values of the standard deviation of the wind direction, σθ derived from NAM model outputs underestimate the observations by a small amount (about –1.5 to –2.5°). The results presented here indicate that mesoscale numerical model outputs can provide information adequate for dispersion calculations. However, levels of uncertainty associated with implementation of the suggested procedures increase with decreasing wind speed, causing considerable uncertainty in the implementation of adjustments as low wind speed conditions are approached. Results and recommendations reported here should not be extended to other numerical models or other cities without further testing.

54 ENVIRONMENTAL SCIENCES↗

A reference-area-free strain mapping method using precession electron diffraction data

Here, in this work, we developed a method using precession electron diffraction data to map the residual elastic strain at the nano-scale. The diffraction pattern of each pixel was first collected and denoised. Template matching was then applied using the center spot as the mask to identify the positions of the diffraction disks. Statistics of distances between the selected diffracted disks enable the user to make an informed decision on the reference and to generate strain maps. Strain mapping on an unstrained single crystal sapphire shows the standard deviation of strain measurement is 0.5%. With this method, we were able to successfully measure and map the residual elastic strain in VO 2 on sapphire and martensite in a Ni 50.3 Ti 29.7 Hf 20 shape memory alloy. This approach does not require the user to select a “strain-free area” as a reference and can work on datasets even with the crystals oriented away from zone axes. This method is expected to provide a robust and more accessible alternative means of studying the residual strain of various material systems that complements the existing algorithms for strain mapping.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A versatile machine learning workflow for high-throughput analysis of supported metal catalyst particles

Accurate and efficient characterization of nanoparticles (NPs), particularly regarding particle size distribution, is essential for advancing our understanding of their structure-property relationship and facilitating their design for various applications. In this study, we introduce a novel two-stage artificial intelligence (AI)-driven workflow for NP analysis that leverages prompt engineering techniques from state-of-the-art single-stage object detection and large-scale vision transformer (ViT) architectures. This methodology is applied to transmission electron microscopy (TEM) and scanning TEM (STEM) images of heterogeneous catalysts, enabling high-resolution, high-throughput analysis of particle size distributions for supported metal catalyst NPs. The model's performance in detecting and segmenting NPs is validated across diverse heterogeneous catalyst systems, including various metals (Ru, Cu, PtCo, and Pt), supports (silica (SiO 2 ), γ-alumina (γ-Al 2 O 3 ), and carbon black), and particle diameter size distributions with mean and standard deviations ranging from 1.6 ± 0.2 nm to 9.7 ± 4.6 nm. The proposed machine learning (ML) methodology achieved an average F1 overlap score of 0.91 ± 0.01 and demonstrated the ability to disentangle overlapping NPs anchored on catalytic support materials. The segmentation accuracy is further validated using the Hausdorff distance and robust Hausdorff distance metrics, with the 90th percent of the robust Hausdorff distance showing errors within 0.4 ± 0.1 nm to 1.4 ± 0.6 nm. In conclusion, our AI-assisted NP analysis workflow demonstrates robust generalization across diverse datasets and can be readily applied to similar NP segmentation tasks without requiring costly model retraining.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantification of SARS-CoV-2 spike protein expression from mRNA vaccines using isotope dilution mass spectrometry

The advent of mRNA vaccine technology has been vital in rapidly creating and manufacturing COVID-19 vaccines at an industrial scale. To continue to accelerate this leading vaccine technology, an accurate method is needed to quantify antigens produced by the transfection of cells with a mRNA vaccine product. This will allow monitoring of protein expression during mRNA vaccine development and provide information on how changes to vaccine components affects the expression of the desired antigen. Developing novel approaches that allow for high-throughput screening of vaccines to detect changes in antigen production in cell culture prior to in vivo studies could aid vaccine development. Here, we have developed and optimized an isotope dilution mass spectrometry method to detect and quantify the spike protein expressed after transfection of baby hamster kidney cells with expired COVID-19 mRNA vaccines. Five peptides of the spike protein are simultaneously quantified and provide assurance that protein digestion in the region of the target peptides is complete since results between the five peptides had a relative standard deviation of less than 15 %. In addition, two housekeeping proteins, actin and GAPDH, are quantified in the same analytical run to account for any variation in cell growth within the experiment. IDMS allows a precise and accurate means to quantify protein expression by mammalian cells transfected with an mRNA vaccine.

60 APPLIED LIFE SCIENCES↗