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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 883 records · Page 49

Data Analysis using Psocake at PAL-XFEL

Psocake is a software program designed for high throughput data reduction and analysis of free-electron laser experiments. Its serial crystallography graphical user interface allows browsing of detector images, Bragg peak finding with easy parameter tuning, generate region-of-interest masks, and crystal indexing. It was originally developed for use at the Linac Coherent Light Source, SLAC national accelerator laboratory and has been adopted for use at Pohang accelerator laboratory due to popular demand. Here, we describe the features of psocake available at Pohang and include information about data management that we hope will be useful for users of the facility.

43 PARTICLE ACCELERATORS↗

Soil thermal dynamics, snow cover, and frozen depth under five temperature treatments in an ombrotrophic bog: Constrained forecast with data assimilation: Forecast With Data Assimilation

We report that accurate simulation of soil thermal dynamics is essential for realistic prediction of soil biogeochemical responses to climate change. To facilitate ecological forecasting at the Spruce and Peatland Responses Under Climatic and Environmental change site, we incorporated a soil temperature module into a Terrestrial ECOsystem (TECO) model by accounting for surface energy budget, snow dynamics, and heat transfer among soil layers and during freeze-thaw events. We conditioned TECO with detailed soil temperature and snow depth observations through data assimilation before the model was used for forecasting. The constrained model reproduced variations in observed temperature from different soil layers, the magnitude of snow depth, the timing of snowfall and snowmelt, and the range of frozen depth. The conditioned TECO forecasted probabilistic distributions of soil temperature dynamics in six soil layers, snow, and frozen depths under temperature treatments of +0.0, +2.25, +4.5, +6.75, and +9.0°C. Air warming caused stronger elevation in soil temperature during summer than winter due to winter snow and ice. And soil temperature increased more in shallow soil layers in summer in response to air warming. Whole ecosystem warming (peat + air warmings) generally reduced snow and frozen depths. The accuracy of forecasted snow and frozen depths relied on the precision of weather forcing. Uncertainty is smaller for forecasting soil temperature but large for snow and frozen depths. Lastly, timely and effective soil thermal forecast, constrained through data assimilation that combines process-based understanding and detailed observations, provides boundary conditions for better predictions of future biogeochemical cycles.

54 ENVIRONMENTAL SCIENCES↗

Data‐Driven Safety Risk Prediction of Lithium‐Ion Battery

Abstract Inevitable safety issues have pushed battery engineers to become more conservative in battery system design; however, battery‐involved accidents still frequently are reported in headlines. Identifying, understanding, and predicting safety risks have become priorities to further accelerate technology and industry development. However, diverse loading scenarios, significantly varied stress‐induced short circuit mechanisms, and highly coupled mechanical–electrochemical safety behaviors have remained grand challenges. Herein, the safety risk is termed as the probability of the mechanical triggering of an internal short circuit, to reflect the safety related behaviors of lithium‐ion batteries. Based on a mechanical model and experimental results, a sufficient dataset is generated consisting of strain states and their corresponding safety risks, covering both cylindrical and pouch cells, various states of charges, and loading conditions. Machine‐learning tools combined with the established finite element mechanical model are applied to predict the safety risks of the cells. The results achieve a high level of accuracy on the test data (the relative error of the average short circuit prediction deviation is less than 6.2%.). This work underpins the safety risk concept and highlights the promise of physics combined with data‐driven modeling methodology to predict the safety behaviors of energy storage systems.

Jia, Yikai↗

Data‐Driven Insights into Rare Earth Mineralization: Machine Learning Applications Using Functional Material Synthesis Data

Understanding rare‐earth element (REE) mineralization mechanisms is essential for developing efficient separation strategies. Although the geochemical pathways that generate REE deposits are qualitatively known, quantitative links between specific conditions and mineralization outcomes remain limited. Herein, the repurpose laboratory REE hydrothermal synthesis data—originally collected for functional‐materials fabrication—as a surrogate for studying mineralization with data‐driven methods. The compiled 1,200+ hydrothermal reaction records and trained three machine‐learning models—K‐nearest neighbors (KNN), random forest (RF), and extreme gradient boosting (XGB)—to predict product elements and phases from precursors, additives, reaction conditions, and engineered features. Validation shows XGB achieves the highest accuracy. Feature importance indicates thermodynamic properties of cations and anions dominate model decisions. Correlations reveal positive relationships among precursor concentration, reaction time, pH, and temperature, consistent with classical crystallization behavior. XGB‐based regressors are built to predict crystallization temperature and pH from precursor/product attributes. Performance is strongest when similar training examples exist, while accuracy declines for underrepresented reactions, notably REE carbonates and heavy‐REE systems. Overall, the study shows that functional‐materials datasets can illuminate REE mineralization and provide priors for exploration and processing. Expanding datasets with less‐studied chemistries and conditions will improve generality and support deposit discovery and more efficient REE recovery.

feature importance analysis↗

Utilization of Data Augmentation Techniques in Automated Inspection Systems for Defect Detection in Metals With Limited Data

Accurate identification of defects on metal surfaces is of great interest to many industry sectors, such as the automotive and aerospace industries. In contrast to conventional manual inspection techniques, recent automated inspection systems employ deep learning models trained to detect defects rapidly and precisely. The development of these models often requires a substantial image dataset to acquire adequate knowledge of defect features and enhance their predictive accuracy. When data is limited, augmentation techniques are often used to improve the precision and accuracy of defect detection systems. This study examined the prediction performance of two object detection models, namely Faster Region‐based Convolutional Neural Network (Faster R‐CNN) and You Only Look Once version 8 (YOLOv8), to identify dent defects in limited images of cast iron cylinder head surfaces. The original image set contains 46 images with 563 dents. To overcome limited data availability, common image augmentation techniques along with a copy‐paste method were applied. Results show that standard augmentation improved YOLOv8 accuracy by 8.00% and average precision (AP) by 3.00%. On the other hand, the copy‐paste technique achieved a 20.00% increase in accuracy and a 1% increase in AP with just 200 synthetic dents. Furthermore, these results provide support for using the copy‐paste augmentation strategy to enhance defect detection performance, with a limited dataset, contributing to more accurate defect identification in remanufacturing processes.

36 MATERIALS SCIENCE↗

Microbial Community Metabolic Modeling: A Community Data-Driven Network Reconstruction: COMMUNITY DATA-DRIVEN METABOLIC NETWORK MODELING

Metabolic network modeling of microbial communities provides an in-depth understanding of community-wide metabolic and regulatory processes. Compared to single organism analyses, community metabolic network modeling is more complex because it needs to account for interspecies interactions. To date, most approaches focus on reconstruction of high-quality individual networks so that, when combined, they can predict community behaviors as a result of interspecies interactions. However, this conventional method becomes ineffective for communities whose members are not well characterized and cannot be experimentally interrogated in isolation. Here, we tested a new approach that uses community-level data as a critical input for the network reconstruction process. This method focuses on directly predicting interspecies metabolic interactions in a community, when axenic information is insufficient. We validated our method through the case study of a bacterial photoautotroph-heterotroph consortium that was used to provide data needed for a community-level metabolic network reconstruction. Resulting simulations provided experimentally validated predictions of how a photoautotrophic cyanobacterium supports the growth of an obligate heterotrophic species by providing organic carbon and nitrogen sources.

compartmentalized metabolic network↗

MIRAGE: A Framework for Data-Driven Collaborative High-Resolution Simulation

Information about how human populations shift in response to various stimuli is limited because no single model is capable of addressing these stimuli simultaneously, and integration of the best existing models has been challenging because of the vast disparity among constituent model purposes, architectures, scales, and execution environments. To demonstrate a potential model coupling for approaching this problem, three major model components are integrated into a fully coupled system that executes a worldwide infection-infected routine where a human population requires a food source for sustenance and an infected population can spread an infection when it is in contact with the remaining healthy population. To enable high-resolution data-driven model federation and an ability to capture dynamics and behaviors of billions of humans, a high-performance computing agent-based framework has been created and is demonstrated in this chapter.

60 APPLIED LIFE SCIENCES↗

Search for charged Higgs bosons decaying via H ± → τ ± ν in fully hadronic final states using pp collision data at s $$ \sqrt{s} $$ = 8 TeV with the ATLAS detector

The results of a search for charged Higgs bosons decaying to a τ lepton and a neutrino, H ± → τ ± ν, are presented. The analysis is based on 19.5 fb –1 of proton-proton collision data at √s = 8 TeV collected by the ATLAS experiment at the Large Hadron Collider. Charged Higgs bosons are searched for in events consistent with top-quark pair production or in associated production with a top quark, depending on the considered H ± mass. The final state is characterized by the presence of a hadronic τ decay, missing transverse momentum, b-tagged jets, a hadronically decaying W boson, and the absence of any isolated electrons or muons with high transverse momenta. The data are consistent with the expected background from Standard Model processes. A statistical analysis leads to 95% confidence-level upper limits on the product of branching ratios Β(t → bH ± ) × Β(H ± → τ ± ν), between 0.23% and 1.3% for charged Higgs boson masses in the range 80-160GeV. It also leads to 95% confidence-level upper limits on the production cross section times branching ratio, σ(pp → tH ± + X) × Β(H ± → τ ± ν), between 0.76 pb and 4.5 fb, for charged Higgs boson masses ranging from 180 GeV to 1000 GeV. In the context of different scenarios of the Minimal Supersymmetric Standard Model, these results exclude nearly all values of tan β above one for charged Higgs boson masses between 80 GeV and 160 GeV, and exclude a region of parameter space with high tan β for H ± masses between 200 GeV and 250 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Constraints on mediator-based dark matter and scalar dark energy models using $\sqrt{s}$ = 13 TeV pp collision data collected by the ATLAS detector

Constraints on selected mediator-based dark matter models and a scalar dark energy model using up to 37 fb ₋1 $\sqrt{s}$ = 13 TeV pp collision data collected by the ATLAS detector at the LHC during 2015-2016 are summarised in this paper. The conclusions of experimental searches in a variety of final states are interpreted in terms of a set of spin-1 and spin-0 single-mediator dark matter simplified models and a second set of models involving an extended Higgs sector plus an additional vector or pseudo-scalar mediator. The searches considered in this paper constrain spin-1 leptophobic and leptophilic mediators, spin-0 colour-neutral and colour-charged mediators and vector or pseudo-scalar mediators embedded in extended Higgs sector models. In this case, also $\sqrt{s}$ = 8 TeV pp collision data are used for the interpretation of the results. The results are also interpreted for the first time in terms of light scalar particles that could contribute to the accelerating expansion of the universe (dark energy).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Impact of new experimental data on the C2HDM: the strong interdependence between LHC Higgs data and the electron EDM

The complex two-Higgs doublet model (C2HDM) is one of the simplest extensions of the Standard Model with a source of CP-violation in the scalar sector. It has a $\mathbb{Z}$ 2 symmetry, softly broken by a complex coefficient. There are four ways to implement this symmetry in the fermion sector, leading to models known as Type-I, Type-II, Lepton Specific and Flipped. In the latter three models, there is a priori the surprising possibility that the 125 GeV Higgs boson couples mostly as a scalar to top quarks, while it couples mostly as a pseudoscalar to bottom quarks. This “maximal” scenario was still possible with the data available in 2017. Since then, there have been more data on the 125 GeV Higgs boson, direct searches for CP-violation in angular correlations of $τ$-leptons produced in Higgs boson decays, new results on the electron electric dipole moment, new constraints from LHC searches for additional Higgs bosons and new results on $b$ → $sγ$ transitions. Highlighting the crucial importance of the physics results of LHC’s Run 2, we combine all these experiments and show that the “maximal” scenario is now excluded in all models. Still, one can have a pseudoscalar component in $hτ\overline{τ}$ couplings in the Lepton-Specific case as large as 87% of the scalar component for all mass orderings of the neutral scalar bosons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗