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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 235 records · Page 13

Prompt-delayed γ-ray spectroscopy of neutron-rich 119.121 In isotopes

The Z = 50 shell closure, near N = 82, is unique in the sense that it is the only shell closure with the spin-orbit partner orbitals, π g 9 / 2 and π g 7 / 2 , enclosing the magic gap. The interaction of the proton hole/particle in the above-mentioned orbitals with neutrons in the νh 11/2 orbital is an important prerequisite to the understanding of the nuclear structure near N = 82 and the νπ interaction. To explore the structural similarity between the high-spin isomeric states in In ( Z = 49), Sn ( Z = 50), and Sb ( Z = 51) isotopes from a microscopic point of view. In addition, to understand the role of a proton hole or particle in the spin-orbit partner orbitals, π g 9 / 2 and π g 7 / 2 , respectively, with neutron holes in the ν h 11 / 2 orbital on these aforementioned isomers. The fusion and transfer induced fission reaction Be 9 ( U 238 , f ) with 6.2 MeV/u beam energy, using a unique setup consisting of AGATA, VAMOS++, and EXOGAM detectors, was used to populate through the fission process and study the neutron-rich In 119 , 121 isotopes. This setup enabled the prompt-delayed γ -ray spectroscopy of isotopes in the time range of 100 ns – 200 μ s . In the odd- A In 119 , 121 isotopes, indications of a short half-life 19/2 - isomeric state, in addition to the previously known 25/2 + isomeric state, were observed from the present data. Further, new prompt transitions above the 25/2 + isomer in In 121 were identified along with reevaluation of its half-life. The experimental data were compared with the theoretical results obtained in the framework of large-scale shell-model calculations in a restricted model space. Furthermore, the ( π g 9 / 2 ν h 11 / 2 ; I | H ^ | π g 9 / 2 ν h 11 / 2 ; I ) two-body matrix elements of residual interaction were modified to explain the excitation energies and the B ( E 2) transition probabilities in the neutron-rich In isotopes. The (i) decreasing trend of E (29/2 + ) - E (25/2 + ) in odd-In (with dominant configuration π g 9 / 2 - 1 ν h 11 / 2 - 2 and maximum aligned spin of 29/2 + ) and (ii) increasing trend of E (27/2 + ) - E (23/2 + ) in odd-Sb (with dominant configuration π g 7 / 2 + 1 ν h 11 / 2 - 2 and maximum aligned spin of 27/2 + ) with increasing neutron number could be understood as a consequence of hole-hole and particle-hole interactions, respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impact of breech geometry and propellant flow on the release of large pellets for the ITER disruption mitigation system

Studies have been performed on the release mechanism for large pellets using high pressure gas in a shattered pellet injector. Typically, pellets are dislodged from the cryogenic surface and accelerated down a barrel using high pressure gas delivered by a fast-acting propellant valve. The pellets impact an angled surface which shatters the pellet into many small fragments before entering the plasma. This technique was initially demonstrated on DIII-D (Commaux et al 2016 Nucl. Fusion 56 046007) and is now deployed on JET, KSTAR, ASDEX-Upgrade, and other tokamaks around the world in support of ITER's disruption mitigation system design and physics basis. The large hydrogen, 28.5 mm diameter, 2 length-to-diameter ratio, pellets foreseen for ITER SPI operation have low material strength and low heat of sublimation, which cause the pellets to be fragile and highly reactive to the impact of warm propellant gas. Due to the size of the pellets, significantly more propellant gas is required to dislodge and accelerate them. This creates a potentially significant propellant gas removal issue as 2–6 bar-L of gas is expected to be required for release and speed control. The research presented in this paper is an in-depth exploration of the parameters that are keys to reliable pellet release and speed control. Computational fluid dynamics (CFD) modeling of propellant flows through various breech designs was conducted to determine the force generated on the back surface of a pellet. These simulations assumed the use of the ORNL designed flyer plate valve. CFD modeling combined with experimental measurements provide adequate insight to determine a path to an optimal valve and breech design for ITER SPI pellet release and speed control while minimizing propellant gas usage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamic Low-Rank Training with Spectral Regularization: Achieving Robustness in Compressed Representations

Deployment of neural networks on resource-constrained devices demands models that are both compact and robust to adversarial inputs. However, compression and adversarial robustness often conflict. In this work, we introduce a dynamical low-rank training scheme enhanced with a novel spectral regularizer that controls the condition number of the low-rank core in each layer. This approach mitigates the sensitivity of compressed models to adversarial perturbations without sacrificing clean accuracy. The method is model- and data-agnostic, computationally efficient, and supports rank adaptivity to automatically compress the network at hand. Extensive experiments across standard architectures, datasets, and adversarial attacks show the regularized networks can achieve over 94\% compression while recovering or improving adversarial accuracy relative to uncompressed baselines.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗

Dynamical Low-Rank Compression of Neural Networks with Robustness under Adversarial Attacks

Deployment of neural networks on resource-constrained devices demands models that are both compact and robust to adversarial inputs. However, compression and adversarial robustness often conflict. In this work, we introduce a dynamical low-rank training scheme enhanced with a novel spectral regularizer that controls the condition number of the low-rank core in each layer. This approach mitigates the sensitivity of compressed models to adversarial perturbations without sacrificing clean accuracy. The method is model- and data-agnostic, computationally efficient, and supports rank adaptivity to automatically compress the network at hand. Extensive experiments across standard architectures, datasets, and adversarial attacks show the regularized networks can achieve over 94 compression while recovering or improving adversarial accuracy relative to uncompressed baselines.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗

Automated Integration of Continental-Scale Observations in Near-Real Time for Simulation and Analysis of Biosphere–Atmosphere Interactions

The National Ecological Observatory Network (NEON) is a continental-scale observatory with sites across the US collecting standardized ecological observations that will operate for multiple decades. To maximize the utility of NEON data, we envision edge computing systems that gather, calibrate, aggregate, and ingest measurements in an integrated fashion. Edge systems will employ machine learning methods to cross-calibrate, gap-fill and provision data in near-real time to the NEON Data Portal and to High Performance Computing (HPC) systems, running ensembles of Earth system models (ESMs) that assimilate the data. For the first time gridded EC data products and response functions promise to offset pervasive observational biases through evaluating, benchmarking, optimizing parameters, and training new machine learning parameterizations within ESMs all at the same model-grid scale. Leveraging open-source software for EC data analysis, we are already building software infrastructure for integration of near-real time data streams into the International Land Model Benchmarking (ILAMB) package for use by the wider research community. We will present a perspective on the design and integration of end-to-end infrastructure for data acquisition, edge computing, HPC simulation, analysis, and validation, where Artificial Intelligence (AI) approaches are used throughout the distributed workflow to improve accuracy and computational performance.

Durden, David J.↗

Exploiting Chemistry and Molecular Systems for Quantum Information Science

The power of chemistry to prepare new compositions of matter has driven the quest for new approaches to solve problems having global societal impact, such as renewable energy, healthcare, and information science. In the latter case, the intrinsic quantum nature of molecules offers intriguing new possibilities to advance the emerging field of Quantum Information Science (QIS). In this Perspective, we discuss how chemical systems and reactions can impact quantum computing, communication, and sensing. Hierarchical molecular design and synthesis, from small molecules to supramolecular assemblies, combined with new spectroscopic probes of quantum coherence and theoretical modeling of complex systems, offer a broad range of possibilities to realize practical QIS applications.

quantum computing, Spectrocopy, computational chem↗

Response of the Quasi–Biennial Oscillation to a warming climate in global climate models

We compare the response of the Quasi–Biennial Oscillation (QBO) to a warming climate in eleven atmosphere general circulation models that performed time–slice simulations for present–day, doubled, and quadrupled CO 2 climates. No consistency was found among the models for the QBO period response, with the period decreasing by 8 months in some models and lengthening by up to 13 months in others in the doubled CO 2 simulations. In the quadrupled CO 2 simulations, a reduction in QBO period of 14 months was found in some models, whereas in several others the tropical oscillation no longer resembled the present–day QBO, although it could still be identified in the deseasonalized zonal mean zonal wind timeseries. In contrast, all the models projected a decrease in the QBO amplitude in a warmer climate with the largest relative decrease near 60 hPa. In simulations with doubled and quadrupled CO 2 , the multi–model mean QBO amplitudes decreased by 36 and 51%, respectively. Across the models the differences in the QBO period response were most strongly related to how the gravity wave momentum flux entering the stratosphere and tropical vertical residual velocity responded to the increases in CO 2 amounts. Likewise it was found that the robust decrease in QBO amplitudes was correlated across the models to changes in vertical residual velocity, parametrized gravity wave momentum fluxes, and to some degree the resolved upward wave flux. Here, we argue that uncertainty in the representation of the parameterized gravity waves is the most likely cause of the spread among the eleven models in the QBO's response to climate change.

54 ENVIRONMENTAL SCIENCES↗

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗

muMatScale

Code for modeling solidification microstructure based on the Cellular Automata method for binary/pseudo-binary alloys. This code is derived from the open-source software uMatIC developed at the Imperial College London https://www.imperial.ac.uk/engineering-alloys/research/software

Yuan, Lang [Univ. of South Carolina, Columbia, SC ↗

Vegetation type is an important predictor of the arctic summer land surface energy budget

Despite the importance of high-latitude surface energy budgets (SEBs) for land-climate interactions in the rapidly changing Arctic, uncertainties in their prediction persist. Here, we harmonize SEB observations across a network of vegetated and glaciated sites at circumpolar scale (1994–2021). Our variance-partitioning analysis identifies vegetation type as an important predictor for SEB-components during Arctic summer (June-August), compared to other SEB-drivers including climate, latitude and permafrost characteristics. Differences among vegetation types can be of similar magnitude as between vegetation and glacier surfaces and are especially high for summer sensible and latent heat fluxes. The timing of SEB-flux summer-regimes (when daily mean values exceed 0 Wm –2 ) relative to snow-free and -onset dates varies substantially depending on vegetation type, implying vegetation controls on snow-cover and SEB-flux seasonality. Our results indicate complex shifts in surface energy fluxes with land-cover transitions and a lengthening summer season, and highlight the potential for improving future Earth system models via a refined representation of Arctic vegetation types.

54 ENVIRONMENTAL SCIENCES↗

HEPTAPOD: Orchestrating High Energy Physics Workflows Towards Autonomous Agency

Many workflows in high-energy-physics (HEP) stand to benefit from recent advances in transformer-based large language models (LLMs). While early applications of LLMs focused on text generation and code completion, modern LLMs now support orchestrated agency: the coordinated execution of complex, multi-step tasks through tool use, structured context, and iterative reasoning. We introduce the HEP Toolkit for Agentic Planning, Orchestration, and Deployment (HEPTAPOD), an orchestration framework designed to bring this emerging paradigm to HEP pipelines. The framework enables LLMs to interface with domain-specific tools, construct and manage simulation workflows, and assist in common utility and data analysis tasks through schema-validated operations and run-card-driven configuration. To demonstrate these capabilities, we consider a representative Beyond the Standard Model (BSM) Monte Carlo validation pipeline that spans model generation, event simulation, and downstream analysis within a unified, reproducible workflow. HEPTAPOD provides a structured and auditable layer between human researchers, LLMs, and computational infrastructure, establishing a foundation for transparent, human-in-the-loop systems.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗

A pre-registered short-term forecasting study of COVID-19 in Germany and Poland during the second wave

Disease modelling has had considerable policy impact during the ongoing COVID-19 pandemic, and it is increasingly acknowledged that combining multiple models can improve the reliability of outputs. Here we report insights from ten weeks of collaborative short-term forecasting of COVID-19 in Germany and Poland (12 October–19 December 2020). The study period covers the onset of the second wave in both countries, with tightening non-pharmaceutical interventions (NPIs) and subsequently a decay (Poland) or plateau and renewed increase (Germany) in reported cases. Thirteen independent teams provided probabilistic real-time forecasts of COVID-19 cases and deaths. These were reported for lead times of one to four weeks, with evaluation focused on one- and two-week horizons, which are less affected by changing NPIs. Heterogeneity between forecasts was considerable both in terms of point predictions and forecast spread. Ensemble forecasts showed good relative performance, in particular in terms of coverage, but did not clearly dominate single-model predictions. The study was preregistered and will be followed up in future phases of the pandemic.

60 APPLIED LIFE SCIENCES↗

Third moments of nucleon unpolarized, polarized, and transversity parton distribution functions from physical-point lattice QCD

Using forward matrix elements of local leading-twist operators, we present a determination of the isovector third Mellin moments ⟨𝑥 2 ⟩ of nucleon unpolarized, polarized, and transversity parton distribution functions. Two lattice QCD ensembles at the physical pion mass are used, which were generated using a tree-level Symanzik-improved gauge action and 2+1 flavor tree-level improved Wilson Clover fermions coupling via 2-level HEX-smearing. Leveraging a wide set of operators, two extraction methods for the matrix elements, and the automatic inclusion of model uncertainties via bootstrapped model averages, we extract values of the third Mellin moments. Furthermore, this is the first direct calculation of these observables performed at the physical pion mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Calculating elements of matrix functions using divided differences

In this work, we introduce a method for calculating individual elements of matrix functions. Our technique makes use of a novel series expansion for the action of matrix functions on basis vectors that is memory efficient even for very large matrices. We showcase our approach by calculating the matrix elements of the exponential of a transverse-field Ising model and evaluating quantum transition amplitudes for large many-body Hamiltonians of sizes up to 2 64 x 2 64 on a single workstation. We also discuss the application of the method to matrix inverses. We relate and compare our method to the state-of-the-art and demonstrate its advantages. We also discuss practical applications of our method.

97 MATHEMATICS AND COMPUTING↗

A Mouse Model for Microbeam Radiation Therapy of the Lung

Radiation therapy is an important treatment component for patients with lung cancer. However, the survival time gained with clinical radiation therapy techniques is relatively short. Data from preclinical experiments suggest that synchrotron microbeam radiation therapy could be much better suited to control malignant brain tumors than current clinical concepts of radiation therapy. Even at peak doses of several hundred gray, the extent of functional deficits is low.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Evaluating Recombination Mechanisms in RbF Treated Cu(In${}_\mathrm{x}$Ga$_\mathrm{1-x}$)Se$_{2}$ Solar Cells

Rubidium fluoride (RbF) postdeposition treatment (PDT) has been shown to improve the performance of Cu(In x Ga 1-x )Se 2 (CIGS) photovoltaic devices. Here, in this study, temperature-dependent current voltage (JVT) and time-resolved photoluminescence (TRPL) experiments were combined with modeling using the solar cell capacitance simulator (SCAPS) computer code to investigate the effect of the RbF PDT. Two devices, one as-deposited and one with RbF PDT, were deposited by a three stage coevaporation process. JVT measurements suggest the dominant recombination mechanism may be tunneling-enhanced recombination via bandtail states, but that defect states in the bandgap can also be important. RbF PDT is shown to decrease the characteristic energy of the bandtails. TRPL data show an increase in the minority carrier lifetime after RbF PDT, leading to an improved open-circuit voltage. SCAPS modeling indicates that the dominant recombination mechanism is dependent on the specific defect makeup of a device, suggesting that small changes in processing conditions can impact device behavior. This explains the observation that, for some devices, defect states in the gap dominate while others, as is the case here, appear to be dominated by bandtails.

14 SOLAR ENERGY↗

New narrow resonances observed in the unbound nucleus F 15

The structure of the unbound 15 F nucleus is investigated using the inverse kinematics resonant scattering of a radioactive 14 O beam impinging on a CH 2 target. The analysis of 1 H( 14 O,p) 14 O and 1 H( 14 O,2p) 13 N reactions allowed the confirmation of the previously observed narrow 1/2 - resonance, near the two-proton decay threshold, and the identification of two new narrow 5/2 - and 3/2 - resonances. The newly observed levels decay by 1p emission to the ground of 14 O, and by sequential 2p emission to the ground state (g.s.) of 13 N via the 1 - resonance of 14 O. Gamow shell model (GSM) analysis of the experimental data suggests that the wave functions of the 5/2 - and 3/2 - resonances may be collectivized by the continuum coupling to nearby 2p- and 1p- decay channels. Finally, the observed excitation function 1 H( 14 O, p) 14 O and resonance spectrum in 15 F are well reproduced in the unified framework of the GSM.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Metabolic Costs of Walking with Weighted Vests

ABSTRACT Introduction The US Army Load Carriage Decision Aid (LCDA) metabolic model is used by militaries across the globe and is intended to predict physiological responses, specifically metabolic costs, in a wide range of dismounted warfighter operations. However, the LCDA has yet to be adapted for vest-borne load carriage, which is commonplace in tactical populations, and differs in energetic costs to backpacking and other forms of load carriage. Purpose The purpose of this study is to develop and validate a metabolic model term that accurately estimates the effect of weighted vest loads on standing and walking metabolic rate for military mission-planning and general applications. Methods Twenty healthy, physically active military-age adults (4 women, 16 men; age, 26 ± 8 yr old; height, 1.74 ± 0.09 m; body mass, 81 ± 16 kg) walked for 6 to 21 min with four levels of weighted vest loading (0 to 66% body mass) at up to 11 treadmill speeds (0.45 to 1.97 m·s −1 ). Using indirect calorimetry measurements, we derived a new model term for estimating metabolic rate when carrying vest-borne loads. Model estimates were evaluated internally byk-fold cross-validation and externally against 12 reference datasets (264 total participants). We tested if the 90% confidence interval of the mean paired difference was within equivalence limits equal to 10% of the measured walking metabolic rate. Estimation accuracy, precision, and level of agreement were also evaluated by the bias, standard deviation of paired differences, and concordance correlation coefficient (CCC), respectively. Results Metabolic rate estimates using the new weighted vest term were statistically equivalent (P< 0.01) to measured values in the current study (bias, −0.01 ± 0.54 W·kg −1 ; CCC, 0.973) as well as from the 12 reference datasets (bias, −0.16 ± 0.59 W·kg −1 ; CCC, 0.963). Conclusions The updated LCDA metabolic model calculates accurate predictions of metabolic rate when carrying heavy backpack and vest-borne loads. Tactical populations and recreational athletes that train with weighted vests can confidently use the simplified LCDA metabolic calculator provided as Supplemental Digital Content to estimate metabolic rates for work/rest guidance, training periodization, and nutritional interventions.

Sport Sciences↗