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At least 325 records · Page 18

Deep learning with mixup augmentation for improved pore detection during additive manufacturing

In additive manufacturing (AM), process defects such as keyhole pores are difficult to anticipate, affecting the quality and integrity of the AM-produced materials. Hence, considerable efforts have aimed to predict these process defects by training machine learning (ML) models using passive measurements such as acoustic emissions. This work considered a dataset in which keyhole pores of a laser powder bed fusion (LPBF) experiment were identified using X-ray radiography and then registered both in space and time to acoustic measurements recorded during the LPBF experiment. Due to AM’s intrinsic process controls, where a pore-forming event is relatively rare, the acoustic datasets collected during monitoring include more non-pores than pores. In other words, the dataset for ML model development is imbalanced. Moreover, this imbalanced and sparse data phenomenon remains ubiquitous across many AM monitoring schemes since training data is nontrivial to collect. Hence, we propose a machine learning approach to improve this dataset imbalance and enhance the prediction accuracy of pore-labeled data. Specifically, we investigate how data augmentation helps predict pores and non-pores better. This imbalance is improved using recent advances in data augmentation called Mixup, a weak-supervised learning method. Convolutional neural networks (CNNs) are trained on original and augmented datasets, and an appreciable increase in performance is reported when testing on five different experimental trials. When ML models are trained on original and augmented datasets, they achieve an accuracy of 95% and 99% on test datasets, respectively. We also provide information on how dataset size affects model performance. Lastly, we investigate the optimal Mixup parameters for augmentation in the context of CNN performance.

36 MATERIALS SCIENCE↗

Development of a continuous synthesis process for carbamazepine using validated in-line Raman spectroscopy and kinetic modelling for disturbance simulation

Mitigation of failure modes in the continuous synthesis (CS) of a drug substance (DS) has the potential to widen the adoption of continuous manufacturing (CM) technologies by the pharmaceutical industry. Here, this work demonstrates the development of a robust continuous process for the synthesis of carbamazepine (CBZ), an essential medicine as per the World Health Organization (WHO), facilitated by kinetic modelling and monitored by in-line Raman spectroscopy. Accurate kinetic modelling and the use of validated process analytical technology (PAT) models for quantitative measurement were found to play an important role in developing CS of drug substances. Kinetic data for the formation of CBZ from iminostilbene (ISB) were collected by batch reaction sampling and high-performance liquid chromatography (HPLC) analysis. A non-linear solver and iterative method was applied to determine two sets of Arrhenius parameters simultaneously for the reaction system by minimizing the standard error of the model fit. The start-up and dynamic equilibrium stages for the CS of CBZ using a continuous stirred tank reactor (CSTR) were modelled based on the batch kinetic data and employed to optimize conversion and simulate process disturbances. An in-line Raman spectroscopy method was successfully developed, validated, and integrated to determine the concentrations of CBZ and ISB within the operating range for the CS. The CS kinetic model was evaluated experimentally from startup to dynamic equilibrium over 10 residence times with monitoring by HPLC and in-line Raman spectroscopy. The developed kinetic model in tandem with in-line Raman spectroscopy successfully predicted disturbances due to changes in process variables and can serve as a useful tool in the future design of advanced process control strategies for the continuous synthesis of CBZ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cross-Layered Distributed Data-Driven Framework for Enhanced Smart Grid Cyber-Physical Security

Smart Grid (SG) research and development has drawn much attention from academia, industry and government due to the great impact it will have on society, economics and the environment. Securing the SG is a considerably significant challenge due the increased dependency on communication networks to assist in physical process control, exposing them to various cyber-threats. In addition to attacks that change measurement values using False Data Injection (FDI) techniques, attacks on the communication network may disrupt the power system's real-time operation by intercepting messages, or by flooding the communication channels with unnecessary data. Addressing these attacks requires a cross-layer approach. In this paper a cross-layered strategy is presented, called Cross-Layer Ensemble CorrDet with Adaptive Statistics(CECD-AS), which integrates the detection of faulty SG measurement data as well as inconsistent network inter-arrival times and transmission delays for more reliable and accurate anomaly detection and attack interpretation. Numerical results show that CECD-AS can detect multiple False Data Injections, Denial of Service (DoS) and Man In The Middle (MITM) attacks with a high F1-score compared to current approaches that only use SG measurement data for detection such as the traditional physics-based State Estimation, Ensemble CorrDet with Adaptive Statistics strategy and other machine learning classification-based detection schemes.

cyber-physical security↗

Machine Learning for Optimized Polarization at Jefferson Lab

Polarized cryo-targets and polarized photon beams are widely used in experiments at Jefferson Lab. Traditional methods for maintaining the optimal polarization involve manual adjustments throughout data taking by human shift takers. This may introduce some level of inconsistency simply due to the wide variety of experience and expertise of the shift takers themselves. Implementing machine learning-based control systems can improve the stability of the polarization without relying on human intervention. The cryo-target polarization is influenced by temperature, microwave energy, the distribution of paramagnetic radicals, as well as operational conditions including the radiation dose. Diamond radiators are used to generate linearly polarized photons from a primary electron beam. The energy spectrum of these photons can drift over time due to changes in the primary electron beam conditions and diamond degradation. As a first step towards automating the continuous optimization and control processes, uncertainty aware surrogate models have been developed to predict the polarization based on historical data. This talk will provide an overview of the use cases and models developed, highlighting the collaboration between data scientists and physicists at Jefferson Lab.

Jeske, Torri [Thomas Jefferson National Accelerato↗

Microwave breakdown of sub-atmospheric argon gas in the vicinity of a microgap

The microwave electric field at breakdown for argon gas in a microgap (generally, gap size <1 mm) over a wide range of pressures and gap sizes was found to exhibit two behavioral pressure regimes. A high microwave electric field was established in the gap of a re-entrant mode resonator. By slowly raising the microwave electric field level, a breakdown level is reached where impact ionization induces low pressure argon gas to breakdown preferentially outside of the gap. At high pressure, breakdown is found to occur preferentially inside the gap, but only after the pressure is high enough for impact ionization to produce breakdown there. Impact ionization has a lower threshold electric field than the boundary-controlled processes, such as secondary electron emission, that would eventually produce breakdown inside the microgap if impact ionization did not occur first. Thus, the lower pressure regime is characterized by breakdown outside of the gap, while in the high-pressure regime, breakdown occurs inside the gap, in both cases by impact ionization. The transition pressure P T between these two pressure regimes depends on the gap size d gap , roughly as P T ∝ d gap –2 . Consistent with the model developed here, this corresponds to the full-amplitude of electron oscillation in the gap field being commensurate with the gap size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Observation of the surface layer of lithium metal using in situ spectroscopy

In this work, we have investigated the surface of lithium metal using x-ray photoemission spectroscopy and optical spectroscopic ellipsometry. Even if we prepare the surface of lithium metal rigorously by chemical cleaning and mechanical polishing inside a glovebox, both spectroscopic investigations show the existence of a few tens of nanometer-thick surface layers, consisting of lithium oxides and lithium carbonates. When lithium metal is exposed to room air (~50% moisture), in situ real-time monitoring of optical spectra indicates that the surface layer grows at a rate of approximately 24 nm/min, presumably driven by an interface-controlled process. Our results hint that surface-layer-free lithium metals are formidable to achieve by a simple cleaning/polishing method, suggesting that the initial interface between lithium metal electrodes and solid-state electrolytes in fabricated lithium metal batteries can differ from an ideal lithium/electrolyte contact.

36 MATERIALS SCIENCE↗

Revisiting particle dry deposition and its role in radiative effect estimates

Wet and dry deposition remove aerosols from the atmosphere, and these processes control aerosol lifetime and thus impact climate and air quality. Dry deposition is a significant source of aerosol uncertainty in global chemical transport and climate models. Dry deposition parameterizations in most global models were developed when few particle deposition measurements were available. However, new measurement techniques have enabled more size-resolved particle flux observations. We combined literature measurements with data that we collected over a grassland in Oklahoma and a pine forest in Colorado to develop a dry deposition parameterization. We find that relative to observations, previous parameterizations overestimated deposition of the accumulation and Aitken mode particles, and underestimated in the coarse mode. These systematic differences in observed and modeled accumulation mode particle deposition velocities are as large as an order of magnitude over terrestrial ecosystems. As accumulation mode particles form most of the cloud condensation nuclei (CCN) that influence the indirect radiative effect, this model-measurement discrepancy in dry deposition alters modeled CCN and radiative forcing. We present a revised observationally driven parameterization for regional and global aerosol models. Using this revised dry deposition scheme in the Goddard Earth Observing System (GEOS)-Chem chemical transport model, we find that global surface accumulation-mode number concentrations increase by 62% and enhance the global combined anthropogenic and natural aerosol indirect effect by −0.63 W m −2 . Our observationally constrained approach should reduce the uncertainty of particle dry deposition in global chemical transport models.

54 ENVIRONMENTAL SCIENCES↗

Composition-dependent ordering transformations in Pt–Fe nanoalloys

Significance Dynamically understanding the microscopic processes governing ordering transformations has rarely been attained. The situation becomes even more challenging for nanoscale alloys, where the significantly increased surface-area-to-volume ratio not only opens up a variety of additional freedoms to initiate an ordering transformation but also allows for kinetic interplay between the surface and bulk due to their close proximity. We provide direct evidence of the microscopic processes controlling the ordering transformation through the surface–bulk interplay in Pt–Fe nanoalloys and new features rendered by variations in alloy composition and chemical stimuli. These results provide a mechanistic detail of ordering transformation phenomena which are widely relevant to nanoalloys as chemical ordering occurs in most multicomponent materials under suitable environmental bias.

25 ENERGY STORAGE↗

Astigmatic electron beam propagation

An astigmatic electron beam with an ellipticity ratio of approximately 2:1 was examined using the Enhanced Modified Faraday Cup (EMFC) diagnostic to measure its properties and show how the power density distribution varies near the beam waist. Results show that the beam has two power density peaks, one on either side of the beam crossover point, resulting from different focal distances of the major and minor axes of the elliptical beam shape. Quantification of the beam properties was used to establish a depth-of-field where the beam diameter and peak power densities are relatively constant. For the 1 kW beam studied here, the depth-of-field measured approximately ±5 mm from the beam crossover point, illustrating how electron beam diagnostics can be used to identify process control limits for repeatable and reliable welds under non-ideal electron beam power density distribution conditions.

36 MATERIALS SCIENCE↗

Quality concerns caused by quality control — deformation of silicon strip detector modules in thermal cycling tests

The ATLAS experiment at the Large Hadron Collider (LHC) is currently preparing to replace its present Inner Detector (ID) with the upgraded, all-silicon Inner Tracker (ITk) for its High-Luminosity upgrade (HL-LHC). The ITk will consist of a central pixel tracker and the outer strip tracker, consisting of about 19,000 strip detector modules. Each strip module is assembled from up to two sensors, and up to five flexes (depending on its geometry) in a series of gluing, wirebonding and quality control steps. During detector operation, modules will be cooled down to temperatures of about -35 °C (corresponding to the temperature of the support structures on which they will be mounted) after being initially assembled and stored at room temperature. In order to ensure compatibility with the detector's operating temperature range, modules are subjected to thermal cycling as part of their quality control process. Ten cycles between -35 °C and +40 °C are performed for each module, with full electrical characterisation tests at each high and low temperature point. As part of an investigation into the stress experienced by modules during cooling, it was observed that modules generally showed a change in module shape before and after thermal cycling. This paper presents a summary of the discovery and understanding of the observed changes, connecting them with excess module stress, as well as the resulting modifications to the module thermal cycling procedure.

47 OTHER INSTRUMENTATION↗

Overview and status of the Long-Baseline Neutrino Facility Far Site cryogenics system

The Sanford Underground Research Facility (SURF) will host the Far Detector of the Deep Underground Neutrino Experiment (DUNE), an international multi-kiloton Long-Baseline neutrino experiment that will be installed about one and a half kilometers underground in Lead, SD. Detectors will be located inside four cryostats filled with almost 70,000 metric tons of ultrapure liquid argon, with a level of impurities lower than 100 parts per trillion of oxygen equivalent contamination. The cryogenics infrastructure supporting this experiment is provided by the Long-Baseline Neutrino Facility (LBNF). This contribution presents modes of operation, layout, and main features of the LBNF Far Site cryogenic system, which is composed of three subsystems: Infrastructure, Proximity, and Internal cryogenics. The Infrastructure cryogenics supports the needs of the cryostat and Proximity cryogenics. It includes the equipment to receive the argon in liquid phase, vaporize it and transfer it underground as a gas, the nitrogen system (composed of the refrigeration system, liquid nitrogen buffer tanks and liquid and gaseous nitrogen distribution), liquid and gaseous argon distribution and process controls. The Proximity cryogenics receives fluids from the Infrastructure cryogenics and delivers them to the Internal cryogenics at the required temperature, pressure, purity and mass flow rate. It includes the argon condensers, liquid and gaseous argon purification and regeneration systems, nitrogen and argon phase separators, piping, valves, and instrumentation. The Internal cryogenics comprises the liquid and gaseous argon distribution inside the cryostats for the commissioning, cool down, fill, and steady state operations of the cryostats and detectors. An international engineering team is designing these systems and will manufacture, install, commission, and qualify them. This contribution describes the main features, performance, functional requirements, and modes of operation of the LBNF Far Site cryogenics system. It also presents the status of the design, along with present and future needs to support the DUNE experiment.

43 PARTICLE ACCELERATORS↗

Development of ultra-pure gadolinium sulfate for the Super-Kamiokande gadolinium project

This paper reports the development and detailed properties of about 13 metric tons of gadolinium sulfate octahydrate, Gd 2 (SO 4 ) 3 • 8H 2 O⁠, which has been dissolved into Super-Kamiokande (SK) in the summer of 2020. We evaluate the impact of radioactive impurities in Gd 2 (SO 4 ) 3 • 8H 2 O on diffuse supernova neutrino background searches and solar neutrino observation and confirm the need to reduce radioactive and fluorescent impurities by about three orders of magnitude from commercially available high-purity Gd 2 (SO 4 ) 3 • 8H 2 O⁠. In order to produce ultra-high-purity Gd 2 (SO 4 ) 3 • 8H 2 O, we have developed a method to remove impurities from gadolinium oxide, Gd 2 O 3 , consisting of acid dissolution, solvent extraction, and pH control processes, followed by a high-purity sulfation process. All of the produced ultra-high-purity Gd 2 (SO 4 ) 3 • 8H 2 O is assayed by inductively coupled plasma mass spectrometry and high-purity germanium detectors to evaluate its quality. Because of the long measurement time of high-purity germanium detectors, we have employed several underground laboratories for making parallel measurements including the Laboratorio Subterráneo de Canfranc in Spain, Boulby in the UK, and Kamioka in Japan. In the first half of production, the measured batch purities were found to be consistent with the specifications. However, in the latter half, the Gd 2 (SO 4 ) 3 • 8H 2 O contained one order of magnitude more 228Ra than the budgeted mean contamination. This was correlated with the corresponding characteristics of the raw material Gd 2 O 3 , in which an intrinsically large contamination was present. Based on their modest impact on SK physics, they were nevertheless introduced into the detector. To reduce 228 Ra for the next stage of gadolinium loading to SK, a new process has been successfully established.

79 ASTRONOMY AND ASTROPHYSICS↗

Second harmonic Bessel-Gauss beam shaping with elliptic axicon aberrations

The second harmonic (SH) of an axicon generated Bessel-Gauss beam is created through the nonlinear interaction of photons with a crystal, resulting in the energy doubling of the output photons. In this work, we show experimentally that in addition to frequency doubling, the SH of Bessel-Gauss beams under asymmetric aberrations from an elliptic axicon exhibit intriguing beam formation. Particularly, the central region of the SH beam profile is composed of two central spots of various geometries surrounded by nested ellipses; one of which is the configuration of two central gamma dots with similar radius knotted by nested ellipses for a zeroth-order Bessel-Gauss pump. These SH beams consistently maintain their spatial profile throughout propagation, reminiscing the behavior of screw dislocations in wave patterns. Our numerical simulations produce beam dynamics consistent with that of experiments and further implicate the remarkable interweaving of bright spots with dark vortices. This is especially noticeable when the beams dynamically oscillate along the optical axis, resulting in the genesis of spatially polarized beams with a knotted framework. The insights gained from our study establish a novel paradigm for exploring interactions of Bessel-like beams with vortex dynamics. This, in turn, has the potential to spark innovations in optical applications, fostering new methodologies to harness and manipulate complex light structures. Our experimental findings could spur new methods of generating logical states of light and new opportunities for material processing control. Published by the American Physical Society 2025

Wang, Tianhong (ORCID:0000000169104201)↗

Adhesion Testing of Direct-Write Printed Ink on Metallic Structural Components

The successful adoption of additive manufacturing for the rapid prototyping of direct-write printed electronics requires the establishment of quantifiable metrics that can interrogate device performance. One measure of performance is the adhesion strength between the substrate and printed film interface, which is critical since the strength of this interface can dictate the accuracy and reliability of the printed device. In this work, a non-contact laser-induced spallation technique was used to quantify the adhesion of silver printed films on aluminum alloy substrates. The laser-based method was compared to a standardized pull-off adhesion test, which provided baseline measurements of adhesion strength. The sintering conditions were shown to play an important role in the film-substrate adhesion strength, as well as the cohesion and ductility of the film itself. The methods and results described in this work support the establishment of process control steps that are necessary for quickly verifying the reliability of printed devices prior to their deployment in critical experiments.

Adhesion test↗

Coordinated resource allocation to plant growth–defense tradeoffs

Summary Plant resource allocation patterns often reveal tradeoffs that favor growth (G) over defense (D), or vice versa. Ecologists most often explain G–D tradeoffs through principles of economic optimality, in which negative trait correlations are attributed to the reconciliation of fitness costs. Recently, researchers in molecular biology have developed ‘big data’ resources including multi‐omic (e.g. transcriptomic, proteomic and metabolomic) studies that describe the cellular processes controlling gene expression in model species. In this synthesis, we bridge ecological theory with discoveries in multi‐omics biology to better understand how selection has shaped the mechanisms of G–D tradeoffs. Multi‐omic studies reveal strategically coordinated patterns in resource allocation that are enabled by phytohormone crosstalk and transcriptional signal cascades. Coordinated resource allocation justifies the framework of optimality theory, while providing mechanistic insight into the feedbacks and control hubs that calibrate G–D tradeoff commitments. We use the existing literature to describe the coordinated resource allocation hypothesis (CoRAH) that accounts for balanced cellular controls during the expression of G–D tradeoffs, while sustaining stored resource pools to buffer the impacts of future stresses. The integrative mechanisms of the CoRAH unify the supply‐ and demand‐side perspectives of previous G–D tradeoff theories.

Monson, Russell K.↗

Evaluation of Minimum NOx Emission From Ammonia Combustion

Abstract Ammonia (NH3) is being explored as a hydrogen carrier with no carbon emissions. However, if burned directly as NH3, rather than being completely decomposed back to N2/H2, the fuel-bound nitrogen comes with a potentially significant NOx emissions penalty. Indeed, several existing studies are showing ammonia combustion NOx emissions that exceed current natural gas fueled, DLN technologies by one to two orders of magnitude. Therefore, it is important to establish the theoretical minimum NOx emissions for an ammonia combustor, to determine how much NOx levels can be reduced via further technology development. In other words, the purpose of this work is not to analyze the performance of a specific combustor but, rather, the fundamental limits of what is achievable. This study quantifies this minimum NOx level for a two-stage combustor system for a given combustor exit temperature and residence time, with a constraint on unburned fuel levels. As expected, the optimum configuration is a rich front end combustor to burn and crack ammonia with significant H2 production, followed by an NO relaxation reactor, followed by a lean stage that consumes the remaining H2. The optimum residence time and stoichiometry of each zone are determined in the fast mixing limit, which essentially balances between NOx production in the primary and secondary zones. These results show minimum NOx levels are in 200–400 ppm range at 1 bar, but drop to levels of ∼25 ppm at 20 bar. These NOx emissions are dominated by NOx production in the primary stage which relaxes to equilibrium levels quite slowly. As processes controlling NOx relaxation to equilibrium in the primary stage dominate overall NO emission levels, combustor NOx sensitivities are essentially opposite that of natural gas fired, DLN systems. Specifically, NOx values drop with increased combustor residence time, increased pressure, and increased combustor exit temperature. These results also suggest that the most important strategy for NOx minimization is to provide sufficient relaxation time after the primary zone for NOx to approach equilibrium—this can be done via kinetic means to accelerate this relaxation rate, such as enhancing pressure or temperature, or increasing residence times. Indeed, this work shows that low pressure combustors specifically optimized for ammonia will have residence times that are one to two orders of magnitude larger than current natural gas systems. By doing so, NOx levels below 10 ppm may be achievable. Finally, we discuss the sensitivity of these values to uncertainties in ammonia kinetics.

Engineering↗

Whole-lithosphere shear during oblique rifting

Processes controlling the formation of continental whole-lithosphere shear zones are debated, but their existence requires that the lithosphere is mechanically coupled from base to top. We document the formation of a dextral, whole-lithosphere shear zone in the Death Valley region (DVR), southwest United States. Dextral deflections of depth gradients in the lithosphere-asthenosphere boundary and Moho are stacked vertically, defining a 20–50-km-wide, lower lithospheric shear zone with ~60 km of shear. These deflections underlie an upper-crustal fault zone that accrued ~60 km of dextral slip since ca. 8–7 Ma, when we infer that whole-lithosphere shear began. This dextral offset is less than net dextral offset on the upper-crustal fault zone (~90 km, ca. 13–0 Ma) and total upper-crustal extension (~250 km, ca. 16–0 Ma). We show that, before ca. 8–7 Ma, weak middle crust decoupled upper-crustal deformation from deformation in the lower crust and mantle lithosphere. Between 16 and 7 Ma, detachment slip thinned, uplifted, cooled, and thus strengthened the middle crust, which is exposed in metamorphic core complexes collocated with the whole-lithosphere shear zone. Midcrustal strengthening coupled the layered lithosphere vertically and therefore enabled whole-lithosphere dextral shear. Where thick crust exists (as in pre–16 Ma DVR), midcrustal strengthening is probably a necessary condition for whole-lithosphere shear.

58 GEOSCIENCES↗

Pseudocapacitive Charge Storage in Electrochromic Transition-Metal Oxide Thin Films

Electrochromic pseudocapacitive transition-metal oxide materials, such as tungsten oxide, which combine fast response, high energy density, and optical effects, can play a significant role as energy storage materials. Here we investigate the electrochemical kinetics of thin films of tungsten oxide, which turn transparent to sky-blue color in the lithiated state due to the reduction of W 6+ to W 5+ . In this study, we investigated the charge density, charge transfer, ion diffusion, and interfacial behavior upon Li + insertion/de-insertion in WO 3 . The electrochromic thin film's pseudocapacitive and electrical double layer mechanism was differentiated based on the power-law. Faradaic diffusion-controlled process dominates over the surface capacitive behavior at scan rates below 40 mV s –1 . These films exhibit an areal charge density of around 100 mC cm –2 and a capacitance of 80 mF cm –2 , superior to most comparable electrochromic materials and supercapacitors. This work combines electrochromics and energy storage properties and provides a fundamental understanding of pseudocapacitive and electrochromic mechanisms in WO 3 .

25 ENERGY STORAGE↗