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At least 433 records · Page 24

A numerical framework for simulating the atmospheric variability of supermicron marine biogenic ice nucleating particles

Abstract. We present a framework for estimating concentrations of episodically elevated high-temperature marine ice nucleating particles (INPs) in the sea surface microlayer and their subsequent emission into the atmospheric boundary layer. These episodic INPs have been observed in multiple ship-based and coastal field campaigns, but the processes controlling their ocean concentrations and transfer to the atmosphere are not yet fully understood. We use a combination of empirical constraints and simulation outputs from an Earth system model to explore different hypotheses for explaining the variability of INP concentrations, and the occurrence of episodic INPs, in the marine atmosphere. In our calculations, we examine the following two proposed oceanic sources of high-temperature INPs: heterotrophic bacteria and marine biopolymer aggregates (MBPAs). Furthermore, we assume that the emission of these INPs is determined by the production of supermicron sea spray aerosol formed from jet drops, with an entrainment probability that is described by Poisson statistics. The concentration of jet drops is derived from the number concentration of supermicron sea spray aerosol calculated from model runs. We then derive the resulting number concentrations of marine high-temperature INPs (at 253 K) in the atmospheric boundary layer and compare their variability to atmospheric observations of INP variability. Specifically, we compare against concentrations of episodically occurring high-temperature INPs observed during field campaigns in the Southern Ocean, the Equatorial Pacific, and the North Atlantic. In this case study, we evaluate our framework at 253 K because reliable observational data at this temperature are available across three different ocean regions, but suitable data are sparse at higher temperatures. We find that heterotrophic bacteria and MBPAs acting as INPs provide only a partial explanation for the observed high INP concentrations. We note, however, that there are still substantial knowledge gaps, particularly concerning the identity of the oceanic INPs contributing most frequently to episodic high-temperature INPs, their specific ice nucleation activity, and the enrichment of their concentrations during the sea–air transfer process. Therefore, targeted measurements investigating the composition of these marine INPs and drivers for their emissions are needed, ideally in combination with modeling studies focused on the potential cloud impacts of these high-temperature INPs.

54 ENVIRONMENTAL SCIENCES↗

Spectroscopic classification, variability, and SED of the Fermi -detected CSS 3C 286: the radio-loudest NLS1 galaxy?

ABSTRACT 3C 286 is a well-known calibrator source in radio astronomy. It is also one of very few compact steep-spectrum (CSS) sources detected in γ-rays. Here, we perform a detailed spectroscopic and variability analysis and present the first quasi-simultaneous optical to X-ray spectral energy distribution (SED) in order to reveal physical mechanisms that dominate its emission at different wavelengths, and arrive at a reliable optical source classification. The first main result of our study reveals several pitfalls when applying simple broad- or narrow-line Seyfert 1 (BLS1 or NLS1) classification criteria that only look at the [O iii]–Hβ complex. [O iii] and Hβ can be dominated by the same outflow components, in which case full width at half-maximum (Hβ) is no reliable classification criterion, and extinction by intrinsic or intervening material can make the highest velocity Hβ component undetectable. After careful combination of all information from ultraviolet (UV)–optical spectra along with multiwavelength data, we confirm that 3C 286 can be classified as NLS1 galaxy, with line properties and supermassive black hole mass (of order 108 M⊙ and accreting near the Eddington limit) close to the BLS1 regime, making it an important borderline object. The quasi-simultaneous SED taken with Swift shows a sharp rise in the optical–UV, implying the presence of a strong accretion-disc component with extreme UV excess, consistent with emission-line diagnostics. Finally, we report the discovery of X-ray variability of 3C 286, plausibly dominated by jet emission, and variable by at least a factor of ∼4. This result suggests to exercise caution when using 3C 286 as radio calibrator in high-resolution radio very long baseline interferometry observations.

Yao, Su↗

Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride

Abstract Point defect quantum bits in semiconductors have the potential to revolutionize sensing at atomic scales. Currently, vacancy-related defects are at the forefront of high spatial resolution and low-dimensional sensing. On the other hand, it is expected that impurity-related defect structures may give rise to new features that could further advance quantum sensing in low dimensions. Here, we study the symmetric carbon tetramer clusters in hexagonal boron nitride and propose them as spin qubits for sensing. We utilize periodic-DFT and quantum chemistry approaches to reliably and accurately predict the electronic, optical, and spin properties of the studied defect. We show that the nitrogen-centered symmetric carbon tetramer gives rise to spin state-dependent optical signals with strain-sensitive intersystem crossing rates. Furthermore, the weak hyperfine coupling of the defect to their spin environments results in a reduced electron spin resonance linewidth that can enhance sensitivity.

Chemistry↗

Ab Initio Modeling of Aqueous Methanol Mixtures at DFT-SCAN Level Using Machine Learning Interatomic Potentials

Abstract Methanol–water mixtures find use in many applications, particularly catalytic energy conversion processes. Their importance has motivated numerous computational studies, most of which employed molecular dynamics based on classical force fields. These enable simulations of large systems on long time scales but do not reliably describe reactive dynamics involving bond breaking and bond formation. In contrast, ab initio molecular dynamics (AIMD) based on density functional theory (DFT) is generally more reliable for such applications but has a high computational cost, which discourages systematic studies of alcohol-water mixtures. To remedy this, we trained a machine learning interatomic potential capable of probing the properties of aqueous methanol mixtures at the DFT level using the SCAN functional. Our results show that SCAN qualitatively reproduces multiple key experimental features arising from the amphiphilic nature of methanol, including density, diffusion coefficients, X-ray structure factors, and Kirkwood–Buff integrals. We also find that structural correlations between water molecules are somewhat overestimated, leading to a stronger preferential association than that predicted by experiments. However, increasing the temperature by 30 K mitigates this effect and also recovers the correct mobilities of both methanol and water. These results indicate that SCAN provides an accurate description of methanol–water mixtures, making it a reliable choice for investigating the reactive dynamics in such systems.

Park, Sanghyun J. [Princeton University , , , ,]↗

Real World Use Case Evaluation of Radar Retro-reflectors for Autonomous Vehicle Lane Detection Applications

Lane detection plays a critical role in autonomous vehicles for safe and reliable navigation. Lane detection is traditionally accomplished using a camera sensor and computer vision processing. The downside of this traditional technique is that it can be computationally intensive when high quality images at a fast frame rate are used and has reliability issues from occlusion such as, glare, shadows, active road construction, and more. This study addresses these issues by exploring alternative methods for lane detection in specific scenarios caused from road construction-induced lane shift and sun glare. Specifically, a U-Net, a convolutional network used for image segmentation, camera-based lane detection method is compared with a radar-based approach using a new type of sensor previously unused in the autonomous vehicle space: radar retro-reflectors. This evaluation is performed using ground truth data, obtained by measuring the lane positions and transforming them into pixel coordinates. The performance of each method is assessed using the statistical R2 score, indicating the correlation between the detected lane lines and the ground truth. The results show that the U-Net camera-based method exhibits limitations in accurately detecting and aligning the lane lines, particularly in challenging scenarios. However, the radar-based lane detection method demonstrates a strong correlation with the ground truth which implies that the use of this sensor may improve current reliability issues from conventional camera lane detection approach. Furthermore, the study highlights the limitations of the U-Net model for camera lane detection, especially in scenarios with sun glare. This study shows that infrastructure-based radar retro-reflectors can improve autonomous vehicle lane detection reliability. The integration of different sensor modalities and the development of advanced computer vision algorithms are crucial for improving the accuracy, reliability, and energy efficiency of lane detection systems. Addressing these challenges contributes to the advancement of autonomous vehicles and the realization of safer and more efficient transportation systems.

Brown, Nicolas E.↗

On the impact of tidal generation and energy storage integration in PV-rich electric distribution systems

Deep decarbonization of power system operations requires the maximal utilization of available renewable resources. At distribution-level operations, however, grid operators can face numerous challenges in integrating renewables at scale owing to the inherent intermittence of renewable energy resources. These include phenomena such as voltage fluctuations, which are typically mitigated through control actuators such as on-load tap changers (OLTC) as well as energy storage devices, such as battery energy storage systems (BESS). On the one hand, high intermittence of the available renewable portfolio may require increasingly aggressive control of actuators, thereby accelerating the probability of equipment failure. On the other hand, integrating BESS operations and having a diverse renewable generation portfolio can typically help stagger power/energy flow to mitigate the aforementioned adverse impacts. In this paper, we employ a Bayesian framework for equipment lifetime estimation to understand the impact of including tidal energy resources and BESS in distribution system operations for feeders having substantial distribution photovoltaic generation. Our results indicate that while tidal energy alone may slightly decrease equipment reliability, the adverse impact on reliability is significantly magnified by a generation portfolio consisting of tidal generation and photovoltaic generation. Here, we also study the tidal and photovoltaic hosting capacity problem with and without energy storage systems using equipment reliability as an added constraint. We conclude that energy storage increases the reliability-constrained hosting capacity of the distribution system.

14 SOLAR ENERGY↗

Towards Z-Next: The Integration of Theory, Experiments, and Computational Simulation in a Bayesian Data Assimilation Framework

Making reliable predictions in the presence of uncertainty is critical to high-consequence modeling and simulation activities, such as those encountered at Sandia National Laboratories. Surrogate or reduced-order models are often used to mitigate the expense of performing quality uncertainty analyses with high-fidelity, physics-based codes. However, phenomenological surrogate models do not always adhere to important physics and system properties. This project develops surrogate models that integrate physical theory with experimental data through a maximally-informative framework that accounts for the many uncertainties present in computational modeling problems. Correlations between relevant outputs are preserved through the use of multi-output or co-predictive surrogate models; known physical properties (specifically monotoncity) are also preserved; and unknown physics and phenomena are detected using a causal analysis. By endowing surrogate models with key properties of the physical system being studied, their predictive power is arguably enhanced, allowing for reliable simulations and analyses at a reduced computational cost.

97 MATHEMATICS AND COMPUTING↗

Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions

Embedded correlated wavefunction (ECW) theory is a powerful tool for studying ground- and excited-state reaction mechanisms and associated energetics in heterogeneous catalysis. Several factors are important to obtaining reliable ECW energies, critically the construction of consistent active spaces (ASs) along reaction pathways when using a multireference correlated wavefunction (CW) method that relies on a subset of orbital spaces in the configuration interaction expansion to account for static electron correlation, e.g., complete AS self-consistent field theory, in addition to the adequate partitioning of the system into a cluster and environment, as well as the choice of a suitable basis set and number of states included in excited-state simulations. Here, in this work, we conducted a series of systematic studies to develop best-practice guidelines for ground- and excited-state ECW theory simulations, utilizing the decomposition of NH 3 on Pd(111) as an example. We determine that ECW theory results are relatively insensitive to cluster size, the aug-cc-pVDZ basis set provides an adequate compromise between computational complexity and accuracy, and that a fixed-clean-surface approximation holds well for the derivation of the embedding potential. Additionally, we demonstrate that a merging approach, which involves generating ASs from the molecular fragments at each configuration, is preferable to a creeping approach, which utilizes ASs from adjacent structures as an initial guess, for the generation of consistent potential energy curves involving open-d-shell metal surfaces, and, finally, we show that it is essential to include bands of excited states in their entirety when simulating excited-state reaction pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Approach to Dynamic Human Reliability Analysis using EMRALD Dynamic Risk Assessment Tool

Research for dynamic human reliability analysis (HRA) (a.k.a., simulation-based or computation-based HRA) has been required, as many researchers have emphasized the importance of dynamic approaches to probabilistic safety assessment (PSA). This study proposes the PRocedure-based Investigation Method of EMRALD Risk Assessment – Human Reliability Analysis (PRIMERA-HRA) method, which is an approach to dynamic HRA using the Event Modeling Risk Assessment using Linked Diagram (EMRALD) software developed by Idaho National Laboratory (INL). In this study, how to model human actions using the software and evaluate the error probabilities is suggested. The applicability of this approach will be also investigated through an extended loss of AC power (ELAP) scenario. Then, major insights from this dynamic HRA approach against the static one will be discussed in the paper.

99 GENERAL AND MISCELLANEOUS↗

Chapter 14 - Reliability of Wind Turbines

The global wind energy industry has grown at a fast pace during the past half-decade. Advancements from design and manufacturing to operation and maintenance have led to reduced capital and maintenance costs, which make wind power an indispensable source for a comprehensive solution to global electricity needs. Once wind turbines are installed, the opportunity to lower wind power costs is mainly through improved operation and maintenance practices. Modern wind turbines are equipped with tens or hundreds of measurement channels and are generating an abundance of data, with lot of efforts being put into data analysis by both the research community and the industry. One type of analysis is through the exploration of reliability engineering methods based on readily available data or maintenance records collected at typical wind power plants. If adopted and conducted appropriately, these analyses can quickly save operation and maintenance costs in a potentially impactful manner. The wind industry has adopted this discipline more broadly in recent years. This chapter discusses wind turbine reliability by highlighting the methodology of reliability engineering life data analysis. It first briefly discusses the fundamentals of wind turbine reliability and the current industry status. Then, the reliability engineering method for life analysis, including data collection, model development, and forecasting, is presented in detail and illustrated through two case studies. The chapter concludes with some remarks on potential opportunities to improve wind turbine reliability. An owner and operator's perspective is taken and mechanical components are used to exemplify the potential benefits of reliability engineering analysis to improve wind turbine reliability and availability.

database↗

In Situ Reliability Investigation of All-Vanadium Redox Flow Batteries by a Stable Reference Electrode

Redox flow batteries (RFBs) have been studied over the past several decades as a promising candidate for stationary energy storage applications. It is therefore important to understand the reliability of RFBs and the mechanisms that cause degradation with time. Contributions from individual electrodes (cathode or anode) are difficult to separate especially for long-term cycle testing, due to the lack of a stable reference electrode. In our work, the reliability and degradation mechanisms of an all-vanadium RFB were investigated by a stable reference electrode based on the dynamic hydrogen electrode (DHE). With factor exploration and design optimization, the newly developed DHE reference electrode demonstrated high accuracy and long-term stability that enables in-situ monitoring of individual electrode signals (potentials and impedances) over hundreds of cycles in a vanadium RFB. This approach enables the full cell degradation to be separated and the degradation attributed to contributions from the cathode and anode. The cathode and anode were found to play quite different roles in the increase in overpotential of the vanadium RFB during long-term cycling. The anode reaction limited both the charge and discharge capacity over 100 cycles. In addition, the negative side also appeared to be the rate limiting factor throughout cycling as determined by EIS measurement. The cathode contributed to the performance degradation as cycling exceeded 50 cycles.

Huang, Qian↗

Evaluation of UAV-derived multimodal remote sensing data for biomass prediction and drought tolerance assessment in bioenergy sorghum

Screening for drought tolerance is critical to ensure high biomass production of bioenergy sorghum in arid or semi-arid environments. The bottleneck in drought tolerance selection is the challenge of accurately predicting biomass for a large number of genotypes. Although biomass prediction by low-altitude remote sensing has been widely investigated on various crops, the performance of the predictions are not consistent, especially when applied in a breeding context with hundreds of genotypes. In some cases, biomass prediction of a large group of genotypes benefited from multimodal remote sensing data; while in other cases, the benefits were not obvious. In this study, we evaluated the performance of single and multimodal data (thermal, RGB, and multispectral) derived from an unmanned aerial vehicle (UAV) for biomass prediction for drought tolerance assessments within a context of bioenergy sorghum breeding. The biomass of 360 sorghum genotypes grown under well-watered and water-stressed regimes was predicted with a series of UAV-derived canopy features, including canopy structure, spectral reflectance, and thermal radiation features. Biomass predictions using canopy features derived from the multimodal data showed comparable performance with the best results obtained with the single modal data with coefficients of determination (R 2 ) ranging from 0.40 to 0.53 under water-stressed environment and 0.11 to 0.35 under well-watered environment. The significance in biomass prediction was highest with multispectral followed by RGB and lowest with the thermal sensor. Finally, two well-recognized yield-based drought tolerance indices were calculated from ground truth biomass data and UAV predicted biomass, respectively. Results showed that the geometric mean productivity index outperformed the yield stability index in terms of the potential for reliable predictions by the remotely sensed data. Collectively, this study demonstrated a promising strategy for the use of different UAV-based imaging sensors to quantify yield-based drought tolerance.

09 BIOMASS FUELS↗

A simple method for floating graphene oxide films facilitates nanoscale investigations of ion and water adsorption

Graphene oxide (GO) is a promising material for separations. Nanoscale GO thin films at the air/water interface are excellent experimental models to understand molecular-scale interactions of ions and water with GO. However, the characteristics of GO, such as functional groups and flake size, also affect the thin film properties making it difficult to make systematic studies with GO thin films. This paper reports a simple, reliable, and quick method of preparing ultra-thin GO films, irrespective of their origin, and demonstrates the new opportunities possible with the utilization of this method. The total amount of GO used to form the thin film is significantly less compared to previous examples in the literature, minimizing the dissolved GO in the subphase. X-ray reflectivity (XR) studies show that the majority of the GO film has 1.5 nm thickness over a macroscopic area (~100 cm 2 ) with very small roughness. Sum frequency generation (SFG) spectroscopy measurements show that H 2 O and D 2 O interact differently with GO films, a property that was not observed before. SFG data show that functional groups vary significantly between different commercially available GO samples. The differences are also characterized with XR at high resolution. X-ray fluorescence near total reflection (XFNTR) measurements show that these differences strongly affect ion adsorption and interfacial water behavior near GO, which are vital properties in separation applications. The results pave the way for future studies to elucidate the complex separation mechanisms with GO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experiments and modelling of adhesive failure initiation of an epoxy underfill: a study of electronic packaging survivability

Epoxy underfills can be implemented in electronic packaging to enhance solder joint reliability of surface mounted components. However, it is important for an engineer to have a failure criterion that can be used for failure predictions and redesign of electronic assemblies. For this study, data from epoxy bond failure in mock electronic part assemblies were correlated to finite element analyses to predict adhesive failure initiation. Experiments were performed to determine failure loads for various loading locations and nonlinear viscoelastic analyses were performed for the same loading locations to determine a maximum principal strain failure parameter. Predictions showed that a maximum principal strain failure parameter defined from one test could be used as an indicator of adhesive failure of an epoxy bond undergoing other modes of loading. Failure initiation predictions matched experimental data using a maximum principal strain failure parameter for an epoxy bond undergoing mixed modes of loading for both unfilled and alumina oxide filled 828DEA epoxy. Such experimental setup is deemed appropriate for future epoxy testing.

42 ENGINEERING↗

Improvement of screen-printable metallization paste for low-cost silicon solar cells utilizing silver coated copper powders

This aims of this project were to develop low-cost screen-printable Ag|Cu metallization, as alternative to Ag paste, for contacting PERC solar cells with transparent emitter for high performance and reliability. The intended goal was to achieve 81% fill factor with a screen-printable Ag|Cu paste alternative. This was attempted through a three strand approach including Ag|Cu formulation by SVMT, production using cavitation technology by ACI and contact formation through the understanding of (i) the liquid phase sintering of the nano/macro particles of Ag|Cu to achieve bulk metal with very low series resistance, (ii) optimization of contact firing to avoid penetration of Cu into the silicon bulk, and finally (iii) proper analysis to quantify the contributions of each resistance component and keep the total series resistance at 0.2 Ω-cm2, which would result in high fill factor of 81% by UNC Charlotte. The objectives also involved i) the implementation of glass frit with Cu metal that will etch through the ARC for low contact resistance and adhesion, ii) development of Ag|Cu pastes with the optimized glass frit, iii) investigation of the impact of Cu particle size, morphology and loading on the gridline resistance, iv) narrow gridline screen designs along with narrow gridline prints, v) development of fast belt speeds of up to 375 inches per minute (ipm) sintering, and vi) stability study on Ag|Cu contact to high performance and reliability.

14 SOLAR ENERGY↗

Laboratory testing methods to evaluate the reliability of occupancy sensors for commercial building applications

The energy performance of commercial buildings is greatly influenced by occupants which are highly variable and among the most unpredictable components of a building's operation. While most building control systems use fixed, predetermined occupancy schedules, these fixed occupancy levels can be quite different from actual occupancy. This can cause unnecessary energy consumption, particularly from heating, ventilation, and air conditioning (HVAC) and lighting systems which are responsible for approximately 60% of commercial buildings' energy use. The use of occupancy counting sensor systems integrated with building management system controls is one method that can be used to improve the energy-consuming performance of buildings. However, there is no standardized universal methodology and metrics to evaluate their reliability. The aim of this research is to develop a uniform evaluation methodology to assess the reliability of occupancy counting sensor systems in a controlled laboratory environment. The developed testing methodology includes both “typical” scenarios representing the occupancy scenarios of a typical commercial building, and “failure” testing scenarios which represent a range of potential scenarios that may impact a sensor system's reliability. These methods were then implemented in a case study to evaluate the performance of two novel occupancy counting sensor systems (i.e., door-centric, and camera-based). Results suggest that typical testing results can be used to compare the overall performance of the occupancy counting sensor systems; however, failure testing is also important to understand the weaknesses of the sensor system in order to select the suitable one for the intended use of the commercial building. In addition, the proposed methodology includes a modified confusion matrix which enables the ability to identify if failures are caused by over or under counting occupants and to what extent this occurs over the testing period.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High temporal resolution generation expansion planning for the clean energy transition

As power systems integrate increasing quantities of wind, solar and energy storage resources, it is important to revisit power system capacity expansion modeling methods and assumptions that have been utilized in thermal- dominated systems. We conduct a series of case study analyses using a simplified representation of the Electric Reliability Council of Texas (ERCOT) system to demonstrate how least-cost capacity expansion outcomes are impacted by changes in model resolution across two temporal dimensions: 1) the number of considered representative periods, and 2) the system dispatch interval. First, we find that the least-cost generation portfolio can differ significantly for small changes in the number of representative days, but largely converges to the 365-day result once 104 representative days are considered. Furthermore, systems with wind, solar and storage resources were more sensitive to changes in the number of representative days than a thermal-dominated system. Second, we find that considering five-minute dispatch resolution consistently results in least-cost generation portfolios with less solar capacity and more energy storage capacity than corresponding scenarios with hourly dispatch intervals. This suggests that hourly dispatch representation fails to capture the intra-hour volatility of solar generation, and therefore also overlooks opportunities for storage resources to provide system value by balancing this volatility. Collectively these results indicate that capacity expansion modelers should revisit conventional approaches to temporal representation when conducting analyses of deeply decarbonized power systems to ensure that such analyses are robust and actionable. To our knowledge, this is the first study to analyze capacity expansion outcomes with five-minute dispatch resolution in this manner.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Optoelectronic and structural characterization of trapezoidal defects in 4H-SiC epilayers and the effect on MOSFET reliability

To this day, trapezoidal defects are found in clusters and high counts in wafers representing the industry standard in terms of material quality being produced. This study sheds light on the nature, origin, behavior, and impact of this defect on device yield and reliability. Trapezoidal defects in 4H-SiC epitaxial layers were investigated by photoluminescence (PL) imaging, scanning electron microscopy (SEM), cathodoluminescence spectrum imaging (CLSI), SEM electron beam induced current (EBIC) imaging, and by transmission electron microscopy (TEM) observation. The bar-shaped stacking faults were identified by the PL and CL measurements with a peak emission wavelength of 420 and 450 nm. An optoelectronic behavioral study based on the recombination enhanced dislocation glide mechanism revealed how expanding dislocations and stacking faults interact with each other. Combining the luminescence and microscopy results, the nature of the stacking faults was identified as being a combination of Shockley-type and Frank-type stacking faults. The TEM analysis showed that these defects originate from the substrate and the stacking sequences of some of the faults were determined as (…2, 4, 2…) and (…2, 3, 2…) in the Zhdanov's notation by high-resolution TEM. The origin of this defect is speculated based on our results and previous reports. The EBIC imaging showed that the high density of SFs in these towers is a strong site of carrier recombination, which presumably has an impact on the transfer characteristics of SiC devices. Furthermore, these defects have shown to impact metal oxide semiconductor field effect transistors electrical performance via an increase in the on-state resistance depending on the coverage percentage of the tower of defects in the active area of the device.

4H-SiC↗