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At least 1,477 records · Page 82

Federated learning for 2D synchrotron x-ray diffractometry: a cross-institutional approach for phase quantification of Ti–6Al–4V alloy

High-energy Two dimensional (2D) synchrotron x-ray diffractometry provides important insights into the atomistic structure and phase evolution of materials, yet traditional analysis methods remain complex, knowledge-intensive, and computationally demanding. Deep-learning models offer a powerful alternative for automating their analysis. Institutions that hold these datasets may be unwilling to share their data due to privacy and security policies, as well as the challenges associated with large-scale data transfer. As a result, models trained on local datasets often perform well only on their own data but exhibit bias and poor generalization across different instruments or facilities. To overcome these limitations, we explore federated learning (FL) for 2D synchrotron diffractograms, enabling collaborative model training without exchanging raw data. In this study, 2D synchrotron diffractograms of Ti–6Al–4V alloy collected from two independent facilities are used to train convolutional neural networks for predicting the β-phase volume fraction. Experimental results show that federated global models significantly outperform locally trained models in terms of generalization and achieve accuracy comparable to centralized trained models. These findings demonstrate the potential of FL to enable secure, cross-institutional collaboration and enhance the scalability of deep-learning-based materials characterization.

36 MATERIALS SCIENCE↗

Mesoscale modelling of dynamic porosity in cement hydrate gel during a water sorption cycle: A lattice Boltzmann study

We describe a lattice Boltzmann modelling framework for fluid sorption coupled to a dynamic model of cement hydrate microstructure upon which it is possible to explore ideas of water sorption in cement emergent from NMR and other recent experimental studies. The results of the first simulations using the model are presented. We show that it is possible to extract transport and microstructural relaxation parameters from the simulations that are in good qualitative agreement with experiment. We discuss limitations of the methodology.

36 MATERIALS SCIENCE↗

Crack tip microplasticity mediated by microstructure gradients

Abstract Traditional fracture theories infer damage at cracks (local field) by surveying loading conditions away from cracks (far field). This approach has been successful in predicting ductile fracture, but it normally assumes isotropic and homogeneous materials. However, myriads of manufacturing procedures induce heterogeneous microstructural gradients that can affect the accuracy of traditional fracture models. This work presents a microstructure‐sensitive finite element approach to explore the shielding effects of grain size and crystallographic orientation gradients on crack tip microplasticity and blunting. A dislocation density‐based crystal plasticity model conveys texture evolution, grain size effects, and directional hardening by computing the constraint from dislocation structures. The results demonstrate that the microstructure can act as a buffer between the local and far fields that affects the crack tip microplasticity variability. For nominal opening loading, grain size and texture affect the local ductility and induce a non‐negligible multiaxial plastic deformation. Furthermore, driving forces based on measuring displacements away from the crack tip are less affected by the microstructure, which suggests that traditional experimental methods smear out important crack tip variability.

Castelluccio, Gustavo M.↗

Multiscale Data-Driven Seismic Full-Waveform Inversion With Field Data Study

Seismic full-waveform inversion (FWI), which uses iterative methods to estimate high-resolution subsurface models from seismograms, is a powerful imaging technique in exploration geophysics. In recent years, the computational cost of FWI has grown exponentially due to the increasing size and resolution of seismic data. Moreover, it is a nonconvex problem and can encounter local minima due to the limited accuracy of the initial velocity models or the absence of low frequencies in the measurements. To overcome these computational issues, we develop a multiscale data-driven FWI method based on fully convolutional networks (FCNs). In preparing the training data, we first develop a real-time style transform method to create a large set of synthetic subsurface velocity models from natural images. We then develop two convolutional neural networks with encoder-decoder structures to reconstruct the low- and high-frequency components of the subsurface velocity models, separately. To validate the performance of our data-driven inversion method and the effectiveness of the synthesized training set, we compare it with conventional physics-based waveform inversion approaches using both synthetic and field data. Finally, these numerical results demonstrate that, once our model is fully trained, it can significantly reduce the computation time and yield more accurate subsurface velocity models in comparison with conventional FWI.

58 GEOSCIENCES↗

Identification of mechanisms driving heterogeneous void growth in ductile aluminum

Void growth plays a central role in ductile fracture, yet the specific mechanisms that control this remain obscure. Classical models, such as those proposed by Rice and Tracey in 1969, are able to capture average rates of void growth, but cannot capture the heterogeneity of individual void growth. Building on recent work, the present study employs laboratory-based diffraction contrast tomography and in-situ x-ray computed tomography to investigate the effect of grain structure and other microstructural factors on void growth in an Al-2219 alloy. Crystal plasticity finite element (CP-FE) modeling is used alongside experimental data to evaluate the contributions of local mechanical states, grain orientation, grain size, and neighboring microstructural features. No strong linear relationships are found with any of the considered descriptors and void growth rate. Potential complex nonlinear relationships are explored with the use of a random forest regression model, which identifies initial void volume, void aspect ratio, local normal stress state, local shear stress state, and local equivalent plastic strain (EQPS) as features that most improve void growth rate predictions. The combination of these analyses suggests that these features should be prioritized to improve models of void growth.

Diffraction contrast tomography (DCT)↗

Dust Formation and Destruction in Core Collapse Supernovae Explosions [Dissertation]

Dust is a crucial component of the Interstellar Medium (ISM) and an important driver in many astrophysical processes. Dust formed from evolved stars increases the metallicity of the ISM, enriching it with heavier elements. Dust makes up the source material of collapsing clouds in the ISM leading to stellar and galactic formation. The stabilization of these systems are aided by dust through absorption and scattering of excess energy. As stellar systems evolve and undergo supernova and mass loss events, enriched dust is produced, further enhancing the metallicity of the ISM. However, despite the importance of dust, the processes that produce dust are not well understood. Core-Collapse Supernovae are one source of dust. Dying massive stars explode, sending their constituent material into the Interstellar Medium, which as the ejecta expands and cools, material condenses and nucleates forming dust grains. I investigate the formation, survivability, and properties of dust. In Chapter 2, dust grain nucleation in CCSNe is discussed. A revised formulation of Kinetic Nucleation Theory (KNT) is used to track the nucleation and growth of dust grains in the ejecta. The affects of the progenitor system on the amount and type of dust is explored, showing a strong dependence on explosion energy. I discuss the code and methods used to model dust nucleation and destruction in Chapter 3. The sputtering and erosion of dust grains in CCSNe shocks are explored in Chapter 4. The erosion and survival of this nucleated dust is modeled through thermal and non-thermal sputtering by the surrounding gas and shocks. The optical properties and scattering of light by surviving dust grains is modeled by Mie scattering in Chapter 5. A discussion of observations of dust in variable star systems and supernovae is outlined in Chapter 6.

79 ASTRONOMY AND ASTROPHYSICS↗

Design and Characterization of the Engineering Model of the Spectrometer Onboard LuSEE‐Night

Abstract The Lunar Surface Electromagnetics Explorer—Night, LuSEE‐Night, is a low‐frequency radio astronomy experiment that will explore the cosmic Dark Ages signal on the radio‐quiet farside of the Moon. The LuSEE‐Night carries a radio frequency spectrometer consisting of a set of antennas, analog and digital processing electronics, and will be launched by NASA's Commercial Lunar Payload Services in 2025. The spectrometer is designed to observe the spectrum of the radio sky in the 0.5−50 MHz band. The engineering model (EM) of the four‐channel spectrometer has been developed. The EM has been characterized for linearity, gain, noise, and their temperature dependence, confirming that the EM meets all the requirements for LuSEE‐Night. Three mitigation techniques have been implemented and verified to suppress self‐induced electromagnetic interference. The flight model of the spectrometer is currently being developed and is scheduled to be shipped to the integration site in early 2024.

Tamura, Emi↗

Design and Characterization of the Engineering Model of the Spectrometer Onboard LuSEE-Night

The Lunar Surface Electromagnetics Explorer - Night, LuSEE-Night, is a low-frequency radio astronomy experiment that will explore the cosmic Dark Ages signal on the radio quiet farside of the Moon. The LuSEE-Night carries a radio frequency spectrometer consisting of a set of antennas, analog and digital processing electronics, and will be launched by NASA's Commercial Lunar Payload Services in 2025. The spectrometer is designed to observe the spectrum of the radio sky in the 0.5−50MHz band. The engineering model (EM) of the four-channel spectrometer has been developed. The EM has been characterized for linearity, gain, noise, and their temperature dependence, confirming that the EM meets all the requirements for LuSEE-Night. Three mitigation techniques have been implemented and verified to suppress self-induced electromagnetic interference (EMI). The flight model of the spectrometer is currently being developed and is scheduled to be shipped to the integration site in early 2024

47 OTHER INSTRUMENTATION↗

CDRL: Certification-Driven Reinforcement Learning for Neutrino Flavor Model Discovery

Many scientific discovery problems require searching combinatorial hypothesis spaces under complex domain constraints. Reinforcement learning (RL) offers a promising approach, but existing methods rely on scalar rewards that provide limited information about why candidate solutions fail, leading agents to repeatedly explore invalid regions. We introduce Certification-Driven Reinforcement Learning (CDRL), a framework that leverages structured feedback from symbolic reasoning tools. When a candidate violates domain constraints, these tools produce certificates identifying the actions responsible for failure. CDRL converts these certificates into reusable constraints that eliminate classes of invalid solutions and guide exploration toward valid regions. We evaluate CDRL on neutrino flavor model discovery in theoretical particle physics, where the hypothesis space exceeds $10^{26}$ possible models, and compare it with the state-of-the-art RL approach previously used for this task. Across three theory spaces, CDRL achieves up to 1.95$\times$ higher valid model rates and up to 6.33$\times$ higher neutrino model rates while evaluating up to 4$\times$ fewer candidates. We further extract 40 interpretable rules from search trajectories using a post-hoc decision-tree framework and show that reusing them as soft constraints yields gains of up to 2$\times$ in valid model rates and 3$\times$ in neutrino model discovery across all three theory spaces. These results suggest that CDRL uncovers reusable structure in combinatorial search spaces and provides a general framework for scientific model discovery.

Jha, Piyush [Georgia Tech., Atlanta; Georgia Tech]↗

HYBRID Modeling of DETAIL Experimental Facility

Idaho National Laboratory continues to be at the forefront of advanced reactor systems and integrated energy systems research. Through the Thermal Energy Distribution System (TEDS) and Microreactor Agile Non-nuclear Test Bed (MAGNET) experiments in the Dynamic Energy Transport and Innovation Laboratory (DETAIL) within the Engineering Systems Laboratory, a mix of digital and physical testing systems can explore the operation of thermally and electrically integrated systems. Modeling of these systems has been done using the HYBRID modeling repository of the Integrated Energy Systems program. DETAIL also contains high temperature steam electrolysis (HTSE) units to produce hydrogen and generate the load imposed on MAGNET and TEDS. The dynamic modeling capabilities within the IES program describe the DETAIL components as-built and can be used to evaluate controls, process flows, and overall system conditions.

08 HYDROGEN↗

Bill Savings vs. Backup Power: Evaluating operational tradeoffs for home solar+storage systems [Slides]

This study explores tradeoffs between the use of home solar+storage systems for backup power versus day-to-day utility bill savings. The study focuses specifically on the “reserve setting” available with most home battery storage systems, which allow the customer to maintain some minimum level of storage in reserve in case of an unforeseen power interruption. The more capacity that is held in reserve, the greater the customer’s ability to ride-through possible power interruptions, but less capacity is then available to manage utility bills on a day-to-day basis. This study evaluates this operational tradeoff across a diverse set of locations and residential electricity tariff structures, relying on Berkeley Lab’s PRESTO model to stochastically simulate power interruption events, and exploring a range of sensitivities, including variations in customer value of lost load (VoLL), interruption frequency, and other key drivers. The results show that, in most circumstances, the opportunity cost of holding storage capacity in reserve, in terms of foregone bill saving, tends to outweigh any gains in reliability value associated with mitigated power interruptions. This finding is robust across tariff structures and across most of the sensitivities considered, including those related to rate level, customer load level, and storage sizing. There are a limited set of circumstances where raising the reserve setting improves the overall customer value (comprised of bill savings plus reliability value). Specifically, that exception occurs when all of the following conditions apply: (a) the customer resides in a location with exceptionally poor reliability, (b) the customer has exceptionally high VoLL; (c) the customer is on a net billing rate or on a TOU rate that allows grid discharging but not grid charging; and (d), depending on the location, the price arbitrage differential on that rate is relatively small. In all other circumstances analyzed, total customer value declines with reserve level.

14 SOLAR ENERGY↗

Classification and regression models of audio and vibration signals for machine state monitoring in precision machining systems

Here we present a data-driven method for monitoring machine status in manufacturing processes. Audio and vibration data from precision machining are used for inference in two operating scenarios: (a) variable machine health states (anomaly detection); and (b) settings of machine operation (state estimation). Audio and vibration signals are first processed through Fast Fourier Transform and Principal Component Analysis to extract transformed and informative features. These features are then used in the training of classification and regression models for machine state monitoring. Specifically, three classifiers (K-nearest neighbors, convolutional neural networks and support vector machines) and two regressors (support vector regression and neural network regression) were explored, in terms of their accuracy in machine state prediction. It is shown that the audio and vibration signals are sufficiently rich in information about the machine that 100% state classification accuracy could be accomplished. Data fusion was also explored, showing overall superior accuracy of data-driven regression models.

42 ENGINEERING↗

Finite-temperature kinetic ferromagnetism in the square-lattice Hubbard model

While the exact phase diagram of the Fermi-Hubbard model remains poorly understood despite decades of progress, nearly 60 years ago Nagaoka proved that a single dopant in an otherwise halffilled Hubbard system can bring about ferromagnetism through kinetic means. The phenomenon was recently observed with ultracold atoms in triangular optical lattices. Here, we explore the kinetic ferromagnetism within the square lattice Hubbard model and its strong-coupling counterpart, the t − J model, at finite temperatures in the thermodynamic limit via numerical linked-cluster expansions. We find evidence of ferromagnetic Nagaoka polarons at dopings up to ∼ 30% away from half filling for a variety of interaction strengths and at temperatures as low as 0.2 of the hopping energy. We map out the boundaries of this phase through analyzing various correlation functions.

Newby, Robin C. [San José State University] (ORCID↗

Understanding Bifacial PV Modeling: Raytracing and View Factor Models

As part of the PV Magazine Webinar 'View-factor vs. ray tracing - which bifacial modelling techniques should you use?,' the second part lead by NREL will explore the different rear-irradiance calculation software, which fall into two categories: view-factor and ray-tracing models. View factor models assume isotropic scattering of reflected rays, allowing for calculation of irradiance by integration. Due-diligence software such as PVSyst or SAM use the view-factor model. Ray-tracing models simulate multipath reflection and absorption of individual rays entering a scene. Raytracing software such as bifacial_radiance, which is the only available open-source toolkit, offers the possibility of reproducing complex scenes, including shading or finite-system edge effects. This can be useful to evaluate specific system geometries, shading and obstructions, areas of different albedo and electrical mismatch, all topics of interest to the prediction of bifacial performance. Model agreement for view factors and bifacial_radiance software is improving and has been shown to be between 2% (absolute) when compared with measured results.

14 SOLAR ENERGY↗

Nested active learning for efficient model contextualization and parameterization: pathway to generating simulated populations using multi-scale computational models

There is increasing interest in the use of mechanism-based multi-scale computational models (such as agent-based models (ABMs)) to generate simulated clinical populations in order to discover and evaluate potential diagnostic and therapeutic modalities. The description of the environment in which a biomedical simulation operates (model context) and parameterization of internal model rules (model content) requires the optimization of a large number of free parameters. In this work, we utilize a nested active learning (AL) workflow to efficiently parameterize and contextualize an ABM of systemic inflammation used to examine sepsis. Contextual parameter space was examined using four parameters external to the model’s rule set. The model’s internal parameterization, which represents gene expression and associated cellular behaviors, was explored through the augmentation or inhibition of signaling pathways for 12 signaling mediators associated with inflammation and wound healing. We have implemented a nested AL approach in which the clinically relevant (CR) model environment space for a given internal model parameterization is mapped using a small Artificial Neural Network (ANN). The outer AL level workflow is a larger ANN that uses AL to efficiently regress the volume and centroid location of the CR space given by a single internal parameterization. We have reduced the number of simulations required to efficiently map the CR parameter space of this model by approximately 99%. In addition, we have shown that more complex models with a larger number of variables may expect further improvements in efficiency.

97 MATHEMATICS AND COMPUTING↗

Pyrocumulonimbus Events Over British Columbia in 2017: An Ensemble Model Study of Parameter Sensitivities and Climate Impacts of Wildfire Smoke in the Stratosphere

Abstract The Pyrocumulonimbus (pyroCb) events over British Columbia in 2017 were observed in the lower stratosphere for about 8–10 months after the smoke injections. Several previous studies used global climate models to investigate the physical parameters for the 2017 pyroCb events, but the conclusions show strong model dependency. In this study, we use the Energy Exascale Earth System Model (E3SM) and complete an ensemble of runs exploring three injection parameters: smoke aerosol mass, the percentage of black carbon within the smoke aerosols, and plume injection height. Additionally, we consider the heterogeneous reaction of ozone and primary organic matter. According to the satellite daily observed aerosol optical depth (AOD), we find that the best ensemble member is the simulation with 0.4 Tg of smoke, 3% of which is black carbon, a 13.5 km smoke injection height, and a 10 −5 probability factor of the heterogeneous reaction. Besides AOD, we examine the ensemble score based on the metrics used in previous studies: the metrics of the extinction coefficient at 18 km altitude and the maximum plume height. The conclusion of the best estimate of the injection parameters for 2017 pyroCb events shows strong not only model but also evaluation metric dependency. We use the Random Forest machine learning technique to quantify the relative importance of each parameter in accurately simulating the 2017 pyroCb events and find that the injection height is the most critical feature, no matter which metric is used to score the ensemble members.

54 ENVIRONMENTAL SCIENCES↗

Development, Demonstration and Validation of Data-Driven Compact Diode Models for Circuit Simulation and Analysis

Compact semiconductor device models are essential for efficiently designing and analyzing large circuits. However, traditional compact model development requires a large amount of manual effort and can span many years. Moreover, inclusion of new physics (e.g., radiation effects) into an existing model is not trivial and may require redevelopment from scratch. Machine Learning (ML) techniques have the potential to automate and significantly speed up the development of compact models. In addition, ML provides a range of modeling options that can be used to develop hierarchies of compact models tailored to specific circuit design stages. In this paper, we explore three such options: (1) table-based interpolation, (2) Generalized Moving Least-Squares, and (3) feedforward Deep Neural Networks, to develop compact models for a p-n junction diode. We evaluate the performance of these "data-driven" compact models by (1) comparing their voltage-current characteristics against laboratory data, and (2) building a bridge rectifier circuit using these devices, predicting the circuit's behavior using SPICE-like circuit simulations, and then comparing these predictions against laboratory measurements of the same circuit.

1N4148 switching diode↗

Dynamics Informed Optimization for Resilient Energy Systems

Optimal mitigation planning for highly disruptive contingencies to a transmission-level power system requires optimization with dynamic power system constraints, due to the key role of dynamics in system stability to major perturbations. We formulate a generalized disjunctive program to determine optimal grid component hardening choices for protecting against major failures, with differential algebraic constraints representing system dynamics (specifically, differential equations representing generator and load behavior and algebraic equations representing instantaneous power balance over the transmission system). We optionally allow stochastic optimal pre-positioning across all considered failure scenarios, and optimal emergency control within each scenario. This novel formulation allows, for the first time, analyzing the resilience interdependencies of mitigation planning, preventive control, and emergency control. Using all three strategies in concert is particularly effective at maintaining robust power system operation under severe contingencies, as we demonstrate on the Western System Coordinating Council (WSCC) 9-bus test system using synthetic multi-device outage scenarios. Towards integrating our modeling framework with real threats and more realistic power systems, we explore applying hybrid dynamics to power systems. Our work is applied to basic RL circuits with the ultimate goal of using the methodology to model protective tripping schemes in the grid. Finally, we survey mitigation techniques for HEMP threats and describe a GIS application developed to create threat scenarios in a grid with geographic detail.

24 POWER TRANSMISSION AND DISTRIBUTION↗