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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 127 records · Page 7

Quench conditioning device. Vibrational quench conditioning

Recently a new type of device, capacitor-based, aiming to eliminate or reduce superconducting magnet training was developed and tested at FNAL. I’ll review its main characteristics and principles of operation, make relevant comparisons and conclusions. Separately, I’ll discuss somewhat similar concepts based on induced vibrations in magnets, but I’ll extend this topic to cover both training reduction and quench protection. Those will be discussed at conceptual level, arguing about feasibility of such an approach and the need for more focused research on the topic, including simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

General Employee Radiological Refresher Training (Self-Study 47968)

This General Employee Radiological Training (GERT) course is designed to refresh knowledge of basic radiological principles and terms, the risks of exposure to ionizing radiation, LANL radiological hazards and postings, ALARA tools, emergency response responsibilities, and how to obtain personal radiological dose records.

61 RADIATION PROTECTION AND DOSIMETRY↗

WE-AB-209-05: Development of an Ultra-Fast High Quality Whole Breast Radiotherapy Treatment Planning System

Purpose: To enable near-real-time (<20sec) and interactive planning without compromising quality for whole breast RT treatment planning using tangential fields. Methods: Whole breast RT plans from 20 patients treated with single energy (SE, 6MV, 10 patients) or mixed energy (ME, 6/15MV, 10 patients) were randomly selected for model training. Additional 20 cases were used as validation cohort. The planning process for a new case consists of three fully automated steps:1. Energy Selection. A classification model automatically selects energy level. To build the energy selection model, principle component analysis (PCA) was applied to the digital reconstructed radiographs (DRRs) of training cases to extract anatomy-energy relationship.2. Fluence Estimation. Once energy is selected, a random forest (RF) model generates the initial fluence. This model summarizes the relationship between patient anatomy’s shape based features and the output fluence. 3. Fluence Fine-tuning. This step balances the overall dose contribution throughout the whole breast tissue by automatically selecting reference points and applying centrality correction. Fine-tuning works at beamlet-level until the dose distribution meets clinical objectives. Prior to finalization, physicians can also make patient-specific trade-offs between target coverage and high-dose volumes.The proposed method was validated by comparing auto-plans with manually generated clinical-plans using Wilcoxon Signed-Rank test. Results: In 19/20 cases the model suggested the same energy combination as clinical-plans. The target volume coverage V100% was 78.1±4.7% for auto-plans, and 79.3±4.8% for clinical-plans (p=0.12). Volumes receiving 105% Rx were 69.2±78.0cc for auto-plans compared to 83.9±87.2cc for clinical-plans (p=0.13). The mean V10Gy, V20Gy of the ipsilateral lung was 24.4±6.7%, 18.6±6.0% for auto plans and 24.6±6.7%, 18.9±6.1% for clinical-plans (p=0.04, <0.001). Total computational time for auto-plans was < 20s. Conclusion: We developed an automated method that generates breast radiotherapy plans with accurate energy selection, similar target volume coverage, reduced hotspot volumes, and significant reduction in planning time, allowing for near-real-time planning.

60 APPLIED LIFE SCIENCES↗

Machine learning coarse grained models for water

An accurate and computationally efficient molecular level description of mesoscopic behavior of ice-water systems remains a major challenge. Here, we introduce a set of machine-learned coarse-grained (CG) models (ML-BOP, ML-BOP dih , and ML-mW) that accurately describe the structure and thermodynamic anomalies of both water and ice at mesoscopic scales, all at two orders of magnitude cheaper computational cost than existing atomistic models. In a significant departure from conventional force-field fitting, we use a multilevel evolutionary strategy that trains CG models against not just energetics from first-principles and experiments but also temperature-dependent properties inferred from on-the-fly molecular dynamics (~ 10’s of milliseconds of overall trajectories). Our ML BOP models predict both the correct experimental melting point of ice and the temperature of maximum density of liquid water that remained elusive to-date. Our ML workflow navigates efficiently through the high-dimensional parameter space to even improve upon existing high-quality CG models (e.g. mW model).

42 ENGINEERING↗

Super resolution convolutional neural network for feature extraction in spectroscopic data

Two dimensional (2D) peak finding is a common practice in data analysis for physics experiments, which is typically achieved by computing the local derivatives. However, this method is inherently unstable when the local landscape is complicated or the signal-to-noise ratio of the data is low. In this work, we propose a new method in which the peak tracking task is formalized as an inverse problem, which thus can be solved with a convolutional neural network (CNN). In addition, we show that the underlying physics principle of the experiments can be used to generate the training data. By generalizing the trained neural network on real experimental data, we show that the CNN method can achieve comparable or better results than traditional derivative based methods. This approach can be further generalized in different physics experiments when the physical process is known.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

AENET–LAMMPS and AENET–TINKER : Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based molecular dynamics and Monte Carlo simulations, an integration of the MLPs with sampling software is needed. Here, we develop two interfaces that link the atomic energy network (ænet) MLP package with the popular sampling packages TINKER and LAMMPS. The three packages, ænet, TINKER, and LAMMPS, are free and open-source software that enable, in combination, accurate simulations of large and complex systems with low computational cost that scales linearly with the number of atoms. Scaling tests show that the parallel efficiency of the ænet–TINKER interface is nearly optimal but is limited to shared-memory systems. The ænet–LAMMPS interface achieves excellent parallel efficiency on highly parallel distributed memory systems and benefits from the highly optimized neighbor list implemented in LAMMPS. We demonstrate the utility of the two MLP interfaces for two relevant example applications: the investigation of diffusion phenomena in liquid water and the equilibration of nanostructured amorphous battery materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data Readiness for Scientific AI at Scale

This paper examines how Data Readiness for AI (DRAI) principles apply to leadership-scale scientific datasets used to train foundation models. We analyze archetypal workflows across four representative domains—climate, nuclear fusion, bio/health, and materials—to identify common preprocessing patterns and domain-specific constraints. We introduce a two-dimensional readiness framework that combines canonical preprocessing patterns with a five-level operational readiness scale, both tailored to high-performance computing (HPC) environments. This framework helps outline key challenges in transforming large-scale scientific data into formats suitable for scalable AI training. Together, these dimensions form a conceptual maturity matrix that characterizes scientific data readiness and guides infrastructure development toward standardized, cross-domain support for scalable and reproducible AI for science.

Brewer, Wes [ORNL] (ORCID:0000000236393956)↗

C.9 Scribe NMAC Layer Video Development

This task incorporates NMAC insider threat principles and good practices into video format for aiding in training activities. It was labeled as Task C.9 under the FY24 Annex 1 for NA-211 SSM A&I Pillar. For activity development, the setting of a research and test reactor, RTR, was selected as the focus of this fiscal year. More specifically, a TRIGA reactor was selected for facility and reactor inspiration. FY 23/24 developed materials Research Reactor Facility Measures against the Insider Threat, LLNL-MI-839144, was used as a reference for selecting relevant, suggested mitigation measures to incorporate into the script and subsequent videos. Throughout the initial phases of development, discipline SMEs met with Scribe SMEs from Sandia National Laboratory to create the initial story arc and assess the limits of Scribe/Odin technologies available for the project. As a result, the decision for a two-fold deliverable was developed and utilized as the basis for script development efforts over the first half of the fiscal year.

99 GENERAL AND MISCELLANEOUS↗

Opportunities and problems in introducing or expanding the teaching of remote sensing in universities

The need for degree programs in remote sensing is considered. Any education program which claims to train remote sensing specialists must include expertise in the physical principles upon which remote sensing is based. These principles dictate the limits of engineering and design, computer analysis, photogrammetry, and photointerpretation. Faculty members must be hired to provide emphasis in those five areas.

Maxwell, E. L.↗

Time-Varying Manual Control Identification in a Stall Recovery Task Under Different Simulator Motion Conditions

This paper adds data to help the development of simulator motion cueing guidelines for stall recovery training by identifying time-varying manual control behavior in a stall recovery task under different simulator motion conditions. A study was conducted with seventeen general aviation pilots in the NASA Ames Vertical Motion Simulator. Pilots had to follow a flight director through four stages of a high-altitude stall task. A time-varying identification method was used to quantify how pilot manual control parameters change throughout different stages of the task in both roll and pitch. Four motion configurations were used: no motion, generic hexapod motion, enhanced hexapod motion and full motion. Pilot performance was highest for the enhanced hexapod and full motion configurations in both roll and pitch, and the lowest without motion. In the roll axis, the pilot position gain did not significantly change throughout the stall task, but was the lowest for the condition with no motion. The pilot roll velocity gain was significantly different between motion conditions, the largest difference being found close to the stall point. The enhanced hexapod motion condition had the highest pilot roll velocity gain. In the pitch axis, the pilot position gain was significantly different between time segments but not between motion conditions. The pilot pitch velocity gain was highest for the full motion condition and increased close to the stall point, but did not change significantly for the other motion conditions. Overall, pilot control behavior under enhanced hexapod motion was most similar to that under full aircraft motion. This indicates that motion cueing for stall recovery training on hexapod simulators might be improved by using the principles behind the enhanced hexapod motion configuration.

manual control↗

High School Citizen Scientists Use AI/ML to Predict Intra-Ocular Pressure From Gene Expression Data for Spaceflown Mice

Artificial Intelligence (AI) and Machine Learning (ML) have increasingly become pivotal in biological and biomedical research, largely due to the culture of open data sharing and its associated benefits. The methodologies inherent in AI/ML are particularly adept at identifying and forecasting biological phenotypes from the vast amounts of data generated by next-generation sequencing technologies. These techniques offer substantial promise for advancing research in space biosciences and for the development of automated systems for monitoring space health. Nevertheless, there are crucial aspects to consider when training, validating, and testing machine learning models in both biological research and clinical contexts. It is essential that Open Science principles, including data sharing and the availability of open-source code, are complemented by high-quality, publicly accessible training resources. These resources should focus on best practices and include modules based on real-world scientific cases and data to ensure that future AI/ML practitioners gain practical experience with genuine problems. Addressing this knowledge gap, we have designed, developed, and delivered both interactive and self-paced training programs for citizen scientists worldwide, enabling them to utilize AI/ML for space biology research. This initiative was made possible through generous funding from a Transformation to Open Science Training grant. The interactive training sessions, conducted this summer, utilized AI/ML techniques to analyze data from the Open Science Data Repository, specifically targeting the effects of spaceflight on ocular structure and function. The dataset OSD-583, from the Rodent Research 9 mission, provides experimental data detailing the ocular responses of mice subjected to a 35-day spaceflight, compared with ground control counterparts. Using OSD-583 as observational data, our summer training participants applied AI/ML methods to predict intraocular pressure from RNA-seq data and identify the genes most predictive of the observed responses. Further analysis through pathway enrichment and gene set enrichment revealed that these genes are involved in molecular and cellular processes contributing to retinal degeneration.

James Casaletto↗

Accelerating the Decommissioning of the Sellafield Pile Fuel Storage Pond Using Innovative Remote Tooling Developed with the Supply Chain - 16437

The Pile Fuel Storage Pond (PFSP) at Sellafield and adjoining de-canning building provided the storage, cooling and de-canning facility for used fuel and isotopes from the two Windscale reactors and later some Magnox fuel from the Calder Hall reactors. Operations ceased in the 1970's and the facilities are now undergoing a programme of accelerated decommissioning. The pond is a sub-divided outdoor storage pond containing skips of irradiated fuel and miscellaneous waste items and the building contains a series of sub-ponds, known as bays, connected underwater to the main pond. The radiation environment and access limitations necessitate the use of remote technology for the decommissioning programme. This paper describes the philosophy and approach and the technology and equipment adopted for the removal and export of key plant equipment and waste items from within the PFSP. In order to progress the project cost effectively and speedily, the Sellafield project team looked for partners in the supply chain with the required experience, expertise and facilities to supply and test 'commercial off-the-shelf' (COTS) or modified proprietary equipment. This COTS approach minimised the need for multiple, expensive and lengthy design and manufacturing tasks associated with bespoke equipment. Sellafield partnered with specialist remote handling contractor, James Fisher Nuclear, and the respective project teams worked closely together at every stage of the project from qualifying requirements, identifying potential solutions, through to development, testing, training and final deployment. Optioneering of potential solutions involved early 'proof of principle' trials in JFN rig hall facilities, utilising existing equipment and plant mock-ups, along with other equipment manufactured in-house. Together the project teams selected the best solution to take forward, adopting a practical and trials based approach, which allowed rapid and cost effective modification of the solution throughout the project with minimal impact on the programme. When the final solution was validated, plant operators then gained familiarity and training on the equipment so they could execute the work efficiently on plant and so minimise their dose uptake. The removal of a Large De-canner is described in detail. This was a significant obstruction to the emptying, modification and re-use of the bay and a key milestone in the clean-up of the PFSP. The de-canners are large and heavy pieces of equipment which weigh 6.5 t each and approximately 6.5 m long. Their removal was further complicated by limited equipment and man access, radiological contamination from de-canning fuel, challenging material properties, unknown equipment condition and complex lifting requirements. Sellafield Ltd and JFN project teams worked closely together to rapidly develop, trial and deploy a succession of adapted 'commercial off-the-shelf' (COTS) tools whilst addressing emerging challenges and completing the overall task on time and budget. The Sellafield and JFN project and design teams provided an underwater: wheel stop removal tool; towing trolley; grinder on a carbon fibre pole, chute cutting 600 mm circular saw and hydraulic 6 t winch. The suite of tools will be reused on the remaining de-canners in the PFSP and First Generation Magnox Fuel Storage Pond (FGMSP) giving cost and programme savings. Each of the tools can also be used, and some have already been, for other tasks in the bay retrievals such as the size reduction of support frames, large steel sections and chemical de-canner preparatory works. The 'learning from experience' acquired during the project was shared by the Sellafield project with other decommissioning projects across the site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Stay Alive--Simulation for Situational Safety Awareness

STAY ALIVE is an idea for a safety awareness simulation prototype, powered by gaming technology, that would make safety training enlightening, engaging and fun. Recalling initial instructions and using situational awareness principles, participants would escape a fire by choosing the appropriate door. Escape times would be measured while stressors increased. This presentation describes how STAY ALIVE utilizes first person point of view (PoV), a generic scenario, immersion- and presence-enhancing design, and ease of distribution to provide more people opportunity to realize, review, analyze and practice effective awareness behaviors. The goals for this prototype include facilitating interest in first-person PoV safety training and eliciting further suggestions on prevention technologies.

Ruder, Michelle↗

Digital bead modeling for wire-arc directed energy deposition

Prediction of 2D cross-section and full 3D geometry for stacked weld beads is critical for the outcome of wire-arc directed energy deposition (DED) parts; however, most additive path planning software packages model beads as extrusions of a rectangle. Weld beads are not rectangular, and the resulting shape is dependent upon physics effects at the moment of deposition. Physics phenomena such as the geometry of the underlying surface, the heat input of the welding mode, and the direction of gravity contribute to bead shape. Here, this paper presents a novel implicit modeling method that discretizes a 2D area or 3D volume of space into pixels or voxels and constructs fields based on these physics phenomena. The fields are combined using a weighting scheme trained on 3D scan measurements of welds and wire-arc DED prints. Pixels or voxels are added until the known amount of deposited volume has been achieved. Thereby, a strong conservation of mass principle is applied to the process. Utilizing machine learning techniques, the present model can be trained on a database of scans allowing for the representation of a wide variety of prints. Results show that this method can produce predictions with realistic bead morphology and sub-millimeter form error.

Bead geometry modeling↗

Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC

Abstract Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic dynamics. Active learning methods have been recently developed to train force fields efficiently and automatically. Among them, Bayesian active learning utilizes principled uncertainty quantification to make data acquisition decisions. In this work, we present a general Bayesian active learning workflow, where the force field is constructed from a sparse Gaussian process regression model based on atomic cluster expansion descriptors. To circumvent the high computational cost of the sparse Gaussian process uncertainty calculation, we formulate a high-performance approximate mapping of the uncertainty and demonstrate a speedup of several orders of magnitude. We demonstrate the autonomous active learning workflow by training a Bayesian force field model for silicon carbide (SiC) polymorphs in only a few days of computer time and show that pressure-induced phase transformations are accurately captured. The resulting model exhibits close agreement with both ab initio calculations and experimental measurements, and outperforms existing empirical models on vibrational and thermal properties. The active learning workflow readily generalizes to a wide range of material systems and accelerates their computational understanding.

36 MATERIALS SCIENCE↗

Robotics for HVAC applications: A critical review and future perspectives

Recent advances in artificial intelligence (AI), enhanced computational capabilities, and innovations in sensors and hardware have driven the increasing development and application of robots in heating, ventilation, and air conditioning (HVAC) systems. We selected and reviewed 101 studies published between 2005 and 2025, sourced from IEEE Xplore, Scopus, Web of Science, and the ACM Digital Library. To analyze these works, we developed a five-dimensional analytical framework (morphology, sensing, navigation, task execution, and system integration), inspired by the Springer Handbook of Robotics and tailored specifically for robotic applications in HVAC. Based on the reviewed studies, six distinct tasks spanning the entire HVAC lifecycle have been identified. Among the six tasks, inspection and maintenance dominate (59 %), followed by indoor monitoring and auditing (21 %), whereas leakage detection, comfort support, and installation/retrofit remain less explored. To address the identified gaps, this review proposes future research directions including investigating robot-aware HVAC design principles, developing multimodal HVAC sensing and data fusion techniques, enhancing robot training and hardware capabilities, and expanding robotic applications beyond Maintenance and Operations (M&O). The findings from this review inform future robotics research for HVAC applications and ultimately enhance system affordability, energy efficiency, resilience or reliability, and occupant environmental comfort. Moreover, it seeks to inspire researchers to explore the intersections of robotics, computer science, building science, and HVAC engineering fostering advancements in this multidisciplinary field.

AI↗

Equation-based and data-driven modeling: Open-source software current state and future directions

Here, a review of current trends in scientific computing reveals a broad shift to open-source and higher-level programming languages such as Python and growing career opportunities over the next decade. Open-source modeling tools accelerate innovation in equation-based and data-driven applications. Significant resources have been deployed to develop data-driven tools (PyTorch, TensorFlow, Scikit-learn) from tech companies that rely on machine learning services to meet business needs while keeping the foundational tools open. Open-source equation-based tools such as Pyomo, CasADi, Gekko, and JuMP are also gaining momentum according to user community and development pace metrics. Integration of data-driven and principles-based tools is emerging. New compute hardware, productivity software, and training resources have the potential to radically accelerate progress. However, long-term support mechanisms are still necessary to sustain the momentum and maintenance of critical foundational packages.

97 MATHEMATICS AND COMPUTING↗

A review of the application of 2D isotropic-anisotropic correlation NMR spectroscopy in structural studies of chalcogenide glasses

The application of solid-state high-resolution NMR spectroscopy in the structural investigation of chalcogenide glasses in Ge/As/P/Si-X (X = S, Se,Te) systems has remained challenging even for the spin-1/2 nuclides ( 29 Si, 31 P, 77 Se, 125 Te), owing to their low natural abundance (except for 31 P), slow spin-lattice relaxation rate and large CSA and chemical shift distribution induced line broadening effects. However, most of these deleterious effects can be successfully overcome in two-dimensional (2D) isotropic-anisotropic correlation NMR experiments, especially when performed at high magnetic field and in conjunction with the Car-Purcell-Meiboom-Gill (CPMG) echo train acquisition. Here, we present a short introduction to the basic principles of such experiments and review their applications over the last decade in deciphering various short- and intermediate- range structural characteristics of chalcogenide glasses in S-Se, Se-Te, Ge-Se, As-Se and Si-Se systems as well as in investigating the molecular dynamics in a P-Se supercooled liquid. We anticipate possible future applications of these 2D isotropic-anisotropic correlation NMR experiments, particularly in conjunction with density functional theory-based calculations of NMR chemical shift tensor parameters and additional signal enhancement schemes, in addressing complex structural correlations and distributions in chalcogenide glasses.

2D NMR↗