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At least 433 records · Page 24

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗

Data for "Design of Diverse, Functional Mitochondrial Targeting Sequences Across Eukaryotic Organisms Using Variational Autoencoder"

Mitochondria play a key role in energy production and metabolism, making them a promising target for metabolic engineering and disease treatment. However, despite the known influence of passenger proteins on localization efficiency, only a few protein-localization tags have been characterized for mitochondrial targeting. To address this limitation, we leverage a Variational Autoencoder to design novel mitochondrial targeting sequences. In silico analysis reveals that a high fraction of the generated peptides (90.14%) are functional and possess features important for mitochondrial targeting. We characterize artificial peptides in four eukaryotic organisms and, as a proof-of-concept, demonstrate their utility in increasing 3-hydroxypropionic acid titers through pathway compartmentalization and improving 5-aminolevulinate synthase delivery by 1.62-fold and 4.76-fold, respectively. Moreover, we employ latent space interpolation to shed light on the evolutionary origins of dual-targeting sequences. Overall, our work demonstrates the potential of generative artificial intelligence for both fundamental research and practical applications in mitochondrial biology.

AI/ML↗

Online Monitoring System for Concrete Structures Affected by Alkali-Silica Reaction

This report presents a comprehensive study of developing ultrasonic wave and acoustic emission (AE) techniques for long-term monitoring of alkali-silica reaction (ASR) development in concrete. Small, medium, and full-scale concrete specimens were cast, conditioned, and monitored for various periods, from at least one year to 2.4 years. The reactive concrete specimens contain coarse or fine reactive aggregates to study the effects of different types of reactive aggregates. Confinements were also designed to simulate the 2-dimensional confinement effects of reinforcement in the shield building of nuclear power plants. The concrete specimens were stored in a environmental chamber with high humidity and high temperature to accelerate the ASR development. The ultrasonic monitoring data shows high sensitivity to ASR development and could detect cracking initiation well before visible surface cracks occurred. However, the linear ultrasonic analysis based on wave velocity is strongly affected by temperature variation. Therefore, a nonlinear ultrasonic method was proposed to measure thermally induced nonlinear acoustic responses of concrete (thermal modulation of ultrasonic wave). The measured nonlinear acoustic parameter shows a high correlation with ASR expansion across specimens with different reactive aggregates and confinement conditions. The same conclusion was obtained from nonlinear resonance tests on small concrete prisms. Compared to the linear acoustic methods, the nonlinear tests show high sensitivities to ASR damage from internal microcracking initiation at the early stage to visible cracks at the late stage of ASR. The attributes of the thermal modulation of nonlinear ultrasonic method include high sensitivity, immunity to temperature effects, and strong correlation with ASR expansion, which demonstrate great potentials of the nonlinear ultrasonic method for diagnosis of ASR damage and prediction of concrete deterioration process. Acoustic emission is a passive sensing technique for damage assessment, and access to only one surface is needed even for thick and heavily reinforced elements such as the walls utilized for nuclear shield building. Additionally, relatively few sensors are required to monitor the progression of the damage process. Results indicate that the AE data can be related to the damage rating index, which is a petrography-based means of assessing damage due to ASR in reinforced concrete. Furthermore, AE is capable of detecting ASR damage long before surface cracking is visually noticeable. Boundary conditions play in important role in the progression of ASR damage and differences in boundary conditions are reflected in the AE data. Entropy based data assessment methods provide a means to assess the damage state, and convolutional neural network based data assessment provided a means to assess the damage state in real-time. Results indicate that artificial neural network models may be used as a means to predict volumetric expansion based on AE data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Optimal Power Control Strategy for Grid-Following Inverters in a Synchronous Frame

This work proposes a power control strategy based on the linear quadratic regulator with optimal reference tracking (LQR-ORT) for a three-phase inverter-based generator (IBG) using an LCL filter. The use of an LQR-ORT controller increases robustness margins and reduces the quadratic value of the power error and control inputs during transient response. A model in a synchronous reference frame that integrates power sharing and voltage–current (V–I) dynamics is also proposed. This model allows for analyzing closed-loop eigenvalue location and robustness margins. The proposed controller was compared against a classical droop approach using proportional-resonant controllers for the inner loops. Mathematical analysis and hardware-in-the-loop (HIL) experiments under variations in the LCL filter components demonstrate fulfillment of robustness and performance bounds of the LQR-ORT controller. Experimental results demonstrate accuracy of the proposed model and the effectiveness of the LQR-ORT controller in improving transient response, robustness, and power decoupling.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Analysis of Near-Field Magnetic Responses on ZrTe 5 through Cryogenic Magneto-THz Nano-Imaging

One manifestation of light-Weyl fermion interaction is the emergence of chiral magnetic effects under magnetic fields. Probing real space magnetic responses at terahertz (THz) scales is challenging but highly desired, as the local responses are less affected by the topologically trivial inhomogeneity that is ubiquitous in spatially averaged measurements. Here, we implement a cryogenic THz microscopy instrument under a magnetic field environment—a task only recently achieved. We explore the technical approach of this system and characterize the magnetic field’s influence on our AFM operation by statistical noise analysis. We find evidence for local near-field spatial variations in the topological semimetal ZrTe 5 up to a 5-Tesla magnetic field and obtain near-field THz spectra to discuss their implications for future studies on the chiral magnetic effect.

36 MATERIALS SCIENCE↗

Exploring Building Retrofit Strategies Using AutoBEM Under Future Weather Scenarios

This study evaluates the long-term effectiveness of energy conservation measures (ECMs) on building energy consumption using AutoBEM, a scalable modeling framework driven by the high-resolution Model America dataset. We simulated 18,951 buildings in Flagstaff, Arizona under four climate scenarios using Future Typical Meteorological Year (fTMY) weather files for six time periods spanning from 1980 to 2099. Six ECMs were analyzed across electricity and gas usage, including HVAC fuel-switching, insulation upgrades, and infiltration control. While some measures, such as reducing space infiltration by percentage, showed minimal or even negative impact on total energy savings at the aggregate level, they proved highly effective for specific building types. Conversely, HVAC electrification offers high gas reduction but shifts demand to electricity, highlighting critical trade-offs under different climate trajectories. Building-type-specific analysis under SSP5-RCP8.5 (2080–2099) revealed significant variation in ECM performance, underscoring the need for targeted retrofit strategies. This study demonstrates the power of combining fTMY projections with large-scale simulations to inform data-driven retrofit planning.

Chowdhury, Shovan [ORNL]↗

Life-cycle cost-benefit analysis of a novel self-heating pavement made from coal-derived solid carbon

Winter weather events challenge the safety, efficiency, and sustainability of roadway networks, particularly road bridges vulnerable to climate impacts. Although effective, conventional de-icing methods incur high expenses and cause significant environmental contamination. To address these longstanding issues, a low-cost novel coal-derived carbon enabled smart pavement (CDC-SP) de-icing system was developed, aiming to alleviate traffic delays, severe corrosion, compromised safety, and environmental pollution. However, the economic performance of CDC-SP has not been quantified to guide decision-making. To this end, this paper presents a Life-Cycle Cost-Benefit Analysis (LCCBA) to assess the economic feasibility of the CDC-SP de-icing system for road bridges in five representative urban and rural areas across cool humid and cold humid climate zones. Given the variations and uncertainties of several factors that determine the costs and benefits, a sensitivity analysis was conducted to determine the system’s economic reliability. Additionally, a Monte Carlo simulation (MCS) was performed to quantify the impacts of important factors and identify the most beneficial scenarios. Furthermore, the CDC-SP de-icing systems have demonstrated substantial economic benefits and short payback periods, showing great applicability for rural and urban road bridges with different service levels across multiple climate zones as compared to conventional de-icing methods.

36 MATERIALS SCIENCE↗

Predicting the viscoplastic response of a crystallizing fluoropolymer using transient network theory

We employ a molecular theory of dynamic polymer networks to describe the viscoplastic response of rubbery FK-800, a thermoplastic copolymer of chlorotrifluoroethylene and vinylidene fluoride, over a broad range of thermal histories. The kinetics of crystallization at different annealing temperatures was modeled using a modified Avrami equation, whose parameters were found to evolve through simple relationships over the full temperature range of the rubbery state. By fitting experimental compression data, we discovered predictable trends for the physical parameters in our mechanical model over its full range of crystallinities (up to ≈20%) and provided insights based on molecular-level physics to justify them. Using this, an end-to-end model was developed to predict the yielding and post-yield behavior of rubbery FK-800 for arbitrary thermal histories. The model successfully predicted the highly nonlinear evolution of characteristic mechanical signatures (stiffness, yield point, post-yield drop) throughout the crystallization process. A statistical analysis of variance test was employed to determine that the measured variations in the mechanical behavior of rubbery FK-800 are primarily dictated by its fractional crystallinity, regardless of its exact thermal history.

36 MATERIALS SCIENCE↗

Observation of the Gamma-Ray Binary HESS J0632+057 with the H.E.S.S., MAGIC, and VERITAS Telescopes

The results of gamma-ray observations of the binary system HESS J0632 + 057 collected during 450 hr over 15 yr, between 2004 and 2019, are presented. Data taken with the atmospheric Cherenkov telescopes H.E.S.S., MAGIC, and VERITAS at energies above 350 GeV were used together with observations at X-ray energies obtained with Swift-XRT, Chandra, XMM-Newton, NuSTAR, and Suzaku. Some of these observations were accompanied by measurements of the Hα emission line. A significant detection of the modulation of the very high-energy gamma-ray fluxes with a period of 316.7 ± 4.4 days is reported, consistent with the period of 317.3 ± 0.7 days obtained with a refined analysis of X-ray data. The analysis of data from four orbital cycles with dense observational coverage reveals short-timescale variability, with flux-decay timescales of less than 20 days at very high energies. Flux variations observed over a timescale of several years indicate orbit-to-orbit variability. The analysis confirms the previously reported correlation of X-ray and gamma-ray emission from the system at very high significance but cannot find any correlation of optical H$α$ parameters with fluxes at X-ray or gamma-ray energies in simultaneous observations. The key finding is that the emission of HESS J0632 + 057 in the X-ray and gamma-ray energy bands is highly variable on different timescales. The ratio of gamma-ray to X-ray flux shows the equality or even dominance of the gamma-ray energy range. This wealth of new data is interpreted taking into account the insufficient knowledge of the ephemeris of the system and discussed in the context of results reported on other gamma-ray binary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

Covariate Dependent Sparse Functional Data Analysis

This study proposes a method to incorporate covariate information into sparse functional data analysis. The method aims at cases where each subject has a limited number of longitudinal measurements and is associated with static covariates. This research is motivated by several use cases in practice. One representative example is void swelling, a nuclear-specific material degradation mechanism. Void swelling is affected by many covariates, including alloy composition and irradiation type. How to accurately model the complicated joint effects of such covariates on the swelling process is the key to mitigating the effect of swelling and ensuring safe operation. Unlike most of the existing methods, the proposed method can handle high-dimensional covariates with the informative covariate identification procedure and sparse and irregularly spaced measurements, that is, does not require complete or dense observations. The main innovation of the proposed method is that we model the variation coming from covariates and the variation left conditioned on covariates, such that the functional principal component analysis and Gaussian process can be conducted in a unified manner. Further, we also propose a systematic approach to identify important covariates in the hypothesis testing context. The methodology is demonstrated on applications in nuclear engineering and healthcare and simulation studies.

42 ENGINEERING↗

Relationship between isotope ratios in precipitation and stream water across watersheds of the National Ecological Observation Network

The timescales associated with precipitation moving through watersheds reveal processes that are critical to understanding many hydrologic systems. Measurements of environmental stable water isotope ratios (δ 2 H and δ 18 O) have been used as tracers to study hydrologic timescales by examining how long it takes for incoming precipitation tracers become stream discharge, yet limited measurements both spatially and temporally have bounded macroscale evaluations so far. Here in this observation driven study across North American biomes within the National Ecological Observation Network (NEON), we examined δ 18 O and δ 2 H stable water isotope in precipitation (δP) and stream water (δQ) at 26 co-located sites. With an average 54 precipitation samples and 139 stream water samples per site collected over 2014–2022, assessment of local meteoric water lines and local stream water lines showed geographic variation across North America. Taking the ratio of estimated seasonal amplitudes of δP and δQ to calculate young water fractions (F yw ), showed a Fyw range from 1% to 93% with most sites having F yw below 20%. Calculate d mean transit times (MTT) based on a gamma convolution model showed a MTT range from 0.10 to 13.2 years, with half of the sites having MTT estimates lower than 2 years. Significant correlations were found between the F yw and watershed area, longest flow length, and the longest flow length/slope. Significant correlations were found between MTT and site latitude, longitude, slope, clay fraction, temperature, precipitation magnitude, and precipitation frequency. The significant correlations between water timescale metrics and the environmental characteristics we report share some similarities with those reported in prior studies, demonstrating that these quantities are primarily driven by site or area specific factors. The analysis of isotope data presented here provides important constraints on isotope variation in North American biomes and the timescales of water movement through NEON study sites.

54 ENVIRONMENTAL SCIENCES↗

Plant genotype and rhizobia strain combinations strongly influence the transcriptome under heavy metal stress conditions in Medicago truncatula

Heavy metals such as cadmium (Cd) and mercury (Hg) pose significant threats to plant health and food safety as they are absorbed from the environment. Legumes are generally considered sensitive to heavy metals but possess standing genetic variation for accumulation and tolerance to toxic ions. We conducted a transcriptomic analysis on hydroponically and soil grown Medicago truncatula plants to investigate gene expression responses to Cd and Hg exposure in roots, leaves, and nodules. By using plant genotypes with varying metal tolerance or accumulation levels, we observed distinct clustering of gene ontologies, indicating tissue-specific, genotype-specific, and metal-specific gene expression patterns. Considering the symbiotic relationship between legumes and nitrogen-fixing bacteria, we further examined plant phenotypes and transcriptomes of plant genotypes with contrasting Hg accumulation levels and inoculated them with high or low Hg-tolerant Sinorhizobium medicae strains that have presence-absence variation for a mercury reductase (Mer) operon. Host plants inoculated with the Hg-tolerant rhizobia strain possessing a Mer operon exhibited less reduction in nodule number and plant biomass. A smaller reduction in iron (Fe) distribution in nodules after Hg stress was measured using X-ray Fluorescence (XRF) imaging. Dual transcriptome (host plant and bacteria) analysis of nodules revealed a remarkable decrease in the number of differentially expressed genes (DEGs) and clustering of gene ontologies in plants inoculated with the Hg-tolerant rhizobia strain, including symbiosis related genes. This finding suggests that the Hg-tolerant rhizobia strain has the potential to mitigate Hg stress in host plants. Furthermore, we observed genotype by-genotype interactions between the high Hg accumulating plant genotype and the Hg-tolerant rhizobia strain. These findings provide insights into enhancing plant resilience in contaminated environments through optimizing legume-rhizobia interactions for heavy metal tolerance.

59 BASIC BIOLOGICAL SCIENCES↗

Scaling and merging time-resolved pink-beam diffraction with variational inference

Time-resolved x-ray crystallography (TR-X) at synchrotrons and free electron lasers is a promising technique for recording dynamics of molecules at atomic resolution. While experimental methods for TR-X have proliferated and matured, data analysis is often difficult. Extracting small, time-dependent changes in signal is frequently a bottleneck for practitioners. Recent work demonstrated this challenge can be addressed when merging redundant observations by a statistical technique known as variational inference (VI). However, the variational approach to time-resolved data analysis requires identification of successful hyperparameters in order to optimally extract signal. In this case study, we present a successful application of VI to time-resolved changes in an enzyme, DJ-1, upon mixing with a substrate molecule, methylglyoxal. We present a strategy to extract high signal-to-noise changes in electron density from these data. Furthermore, we conduct an ablation study, in which we systematically remove one hyperparameter at a time to demonstrate the impact of each hyperparameter choice on the success of our model. We expect this case study will serve as a practical example for how others may deploy VI in order to analyze their time-resolved diffraction data.

47 OTHER INSTRUMENTATION↗

Image Analysis for Rapid Assessment and Quality-Based Sorting of Corn Stover

Imaging in the visible spectrum is a low-cost tool that can be readily deployed for in-field or over-belt monitoring of biomass quality for bio-refining operations. Rapid image analysis coupled with innovative preprocessing may reduce the impacts of feedstock variability through identification of contaminants or other material attributes to guide selective sorting and quality management. Image analysis was employed to evaluate the quality of corn stover in red-green-blue (RGB) chromatic space. This study used controlled, bench-scale imaging as a proof-of-concept for rapid quality assessment of corn stover based on variations in material attributes, including chemical and physical attributes, that relate to biological degradation and soil contamination. Additionally, logistic regression-based classification algorithms were used to develop a method for biomass screening as a function of biological degradation or soil contamination. This study demonstrated the use of image analysis to extract features from RGB color space to investigate variations in critical material attributes from chemical composition of corn stover. Fourier transform infrared (FT-IR) suggested a correlation between red band intensity and biological degradation, while detailed surface texture analysis was found to distinguish among variations in ash. These insights offer promise for development of a rapid screening tool that could be deployed by farmers for in-field assessment of biomass quality or biorefinery operators for in-line sorting and process optimization.

09 BIOMASS FUELS↗

The Sensitivity Analysis of Coil Misalignment for a 200-kW Dynamic Wireless Power Transfer System with an LCC-S and LCC-P Compensation

The dynamic wireless power transfer systems may reduce the battery size of electric vehicles while maintaining the travel range. Similar to the stationary wireless power transfer systems, the compensation networks are desired in dynamic wireless charging systems at the primary and secondary sides to reduce the reactive power requirement from the source and improve the efficiency. Consequently, it is essential to understand the behavior of the compensation networks, especially the sensitivity to misalignments. This paper presents a sensitivity analysis of LCC-S and LCC-P compensation networks for a 200-kW power transfer with variations in the coupling coefficient due to the electric vehicle travel and misalignments between the pads. The sensitivity study combines the electromagnetic finite element analysis and circuit analysis to determine the impact of misalignments on the wireless power transfer system characteristics. The theoretical analysis is verified by conducting circuit simulations at discrete points to verify the accuracy of the mathematical model.

Kavimandan, Utkarsh↗

Quantification of spatial and seasonal trends in the atmosphere and construction of statistical models for infrasonic propagation

SUMMARY Infrasonic waves are influenced by variations in the density, pressure and temperature as well as the ambient winds. Modelling infrasonic propagation can be challenging due to the dynamic nature of the atmosphere as well as the sparseness of measurements which result in variability and notable uncertainty. A framework is presented to quantify spatial and seasonal trends in atmospheric structure via analysis of the effective sound speed profile and identification of temporal trends in the middle atmospheric waveguide produced by the circumpolar vortex winds. Seasonal definitions identifying typical atmospheric structures during the summer, winter and spring/fall transition periods are identified using atmospheric data from 2010 through 2020. Seasonal trend analysis is conducted for a number of locations across the contiguous United States to quantify spatial variations in atmospheric structure that impact infrasonic propagation. For each season and location, empirical orthogonal function analysis is used to reduce the historical archive of atmospheric data into a smaller representative set that can be analysed using numerical tools more efficiently. Infrasonic ray tracing and finite-frequency modal propagation analyses are applied to construct propagation path geometry and transmission loss statistics which are useful in localization and yield estimation for infrasonic sources, respectively. An example application is detailed in which transmission loss statistics are combined with an explosive source model and noise statistics to quantify the capability of a network to detect nearby sources.

58 GEOSCIENCES↗

Probing nonlinear velocity profiles of shear-thinning, nematic platelet dispersions in Couette flow using x-ray photon correlation spectroscopy

In this study, we report experiments employing x-ray photon correlation spectroscopy (XPCS) to characterize the velocity profiles of complex fluids in Couette flow. The approach involves modeling the XPCS correlation functions obtained with the incident x-ray beam passing tangentially through the Couette cell gap at various distances from the inner wall. We first demonstrate the technique with measurements on a dilute colloidal dispersion in the Newtonian liquid glycerol, where the expected linear velocity profiles are recovered. We then employ the technique to map the shear-rate-dependent velocity profiles of a shear-thinning dispersion of nematically ordered Gibbsite platelets. The nonlinear velocity profiles of the Gibbsite dispersion include a narrow slip region adjacent to the outer wall and a band with a small velocity gradient in the interior of the gap that evolves into a region increasingly resembling plug flow with increasing shear rate. Variations in the velocity profile along the vorticity direction indicate an instability in the interface between this region of small velocity gradient and a region of high velocity gradient near the inner wall. The analysis of the small-angle scattering patterns provides information about the spatial and temporal variations in the nematic order of the Gibbsite dispersion and their coupling to the velocity profile. Additional potential applications of this XPCS-based technique and comparisons with established methods for characterizing velocity profiles are discussed.

42 ENGINEERING↗

Radial-velocity Precision of ESPRESSO Through the Analysis of the Solar Twin HIP 11915

Different stellar phenomena affect radial velocities (RVs), causing variations large enough to make it difficult to identify planet signals from the stellar variability. RV variations caused by stellar oscillations and granulation can be reduced through some methods, but the impact of rotationally modulated magnetic activity on RV, due to stellar active regions, is harder to correct. New instrumentation promises an improvement in precision of one order of magnitude, from about 1 m s{sup -1} to about 10 cm s{sup -1}. In this context, we report our first results from 24 spectroscopic Echelle SPectrograph for Rocky Exoplanets and Stable Spectroscopic Observations (ESPRESSO)/Very-Large Telescope observations of the solar twin star HIP 11915, spread over 60 nights. We used a Gaussian Process approach and found for HIP 11915 a RV residual rms scatter of about 20 cm s{sup -1}, representing an upper limit for the performance of ESPRESSO.

47 OTHER INSTRUMENTATION↗