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At least 793 records · Page 44

Strong enhancement of magnetic ordering temperature and structural/valence transitions in EuPd 3 S 4 under high pressure

We present a comprehensive study of the inhomogeneous mixed-valence compound, EuPd 3 S 4 , by electrical transport, X-ray diffraction, time-domain 151 Eu synchrotron Mössbauer spectroscopy, and X-ray absorption spectroscopy measurements under high pressure. Electrical transport measurements show that the antiferromagnetic ordering temperature, T N , increases rapidly from 2.8 K at ambient pressure to 23.5 K at ~19 GPa and plateaus between ~19 and ~29 GPa after which no anomaly associated with T N is detected. A pressure-induced first-order structural transition from cubic to tetragonal is observed, with a rather broad coexistence region (~20 GPa to ~30 GPa) that corresponds to the T N plateau. Mössbauer spectroscopy measurements show a clear valence transition from approximately 50:50 Eu 2+ :Eu 3+ to fully Eu 3+ at ~28 GPa, consistent with the vanishing of the magnetic order at the same pressure. X-ray absorption data show a transition to a fully trivalent state at a similar pressure. Our results show that pressure first greatly enhances T N , most likely via enhanced hybridization between the Eu 4 f states and the conduction band, and then, second, causes a structural phase transition that coincides with the conversion of the europium to a fully trivalent state.

36 MATERIALS SCIENCE↗

Sparse measurement medical CT reconstruction using multi-fused block matching denoising priors

A major challenge for medical X-ray CT imaging is reducing the number of X-ray projections to lower radiation dosage and reduce scan times without compromising image quality. However these under-determined inverse imaging problems rely on the formulation of an expressive prior model to constrain the solution space while remaining computationally tractable. Traditional analytical reconstruction methods like Filtered Back Projection (FBP) often fail with sparse measurements, producing artifacts due to their reliance on the Shannon-Nyquist Sampling Theorem. Consensus Equilibrium, which is a generalization of Plug and Play, is a recent advancement in Model-Based Iterative Reconstruction (MBIR), has facilitated the use of multiple denoisers are prior models in an optimization free framework to capture complex, non-linear prior information. However, 3D prior modelling in a Plug and Play approach for volumetric image reconstruction requires long processing time due to high computing requirement. Instead of directly using a 3D prior, this work proposes a BM3D Multi Slice Fusion (BM3D-MSF) prior that uses multiple 2D image denoisers fused to act as a fully 3D prior model in Plug and Play reconstruction approach. Our approach does not require training and are thus able to circumvent ethical issues related with patient training data and are readily deployable in varying noise and measurement sparsity levels. In addition, reconstruction with the BM3D-MSF prior achieves similar reconstruction image quality as fully 3D image priors, but with significantly reduced computational complexity. We test our method on clinical CT data and demonstrate that our approach improves reconstructed image quality.

Hossain, Maliha [ORNL]↗

A roadmap toward scaling, reasoning and self-evolving foundation models for nuclear and particle physics

Foundation models have revolutionized artificial intelligence, with Large Language Models demonstrating unprecedented capabilities in multimodal understanding, reasoning and tool use. Nuclear and particle physics stands at a critical juncture where similar transformative potential awaits realization. The field generates exabytes of experimental data, exascale simulations, and decades of theoretical insights — yet these remain largely disconnected from modern Artifical Intelligence (AI) capabilities, with most physics AI applications confined to narrow, task-specific models that suffer from domain shifting when applied to real experimental data. We present a roadmap for FM4NPP (Foundation Model for Nuclear and Particle Physics), systematically scaling from current proof-of-concept models to trillion-parameter architectures capable of autonomous discovery. Our approach advances three critical frontiers: unified data infrastructure integrating detector data, scientific knowledge and computational tools across global facilities; multi-facility foundation models enabling cross-experiment knowledge transfer and accelerated discovery; and agentic AI capabilities for reasoning and autonomous tool use. The resulting self-evolving FM4NPP will transform physics research by converting time-intensive data analysis, theory derivation and computational bottlenecks into rapid AI–human collaborative discovery. This paradigm shift promises to fundamentally accelerate scientific progress in nuclear and particle physics, enabling researchers to focus on high-level insights while AI handles routine analysis and explores vast parameter spaces beyond human capacity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

EI_MS_ML

The unambiguous identification of compounds from their electron ionization mass (EI-MS) spectra remains a significant unsolved problem in the field of metabolomics and analytical chemistry as a whole. Typically EI-MS spectra are compared using various mathematical operations that convert the spectral similarity or differences into a distance-like metric that roughly approximates the similarity of any two spectra. A commonly used metric for this is the cosine similarity metric which has values close to one for very similar spectra and a value of zero for very dissimilar spectra; however, no metric is perfect. Due to the prevalence of structurally-similar compounds such as isomers and the prevalence of certain fragmentation patterns across structurally-dissimilar compounds, the unambiguous assignment of EI-MS spectra compounds remains difficult. Frequently, querying an observed EI-MS spectrum against a large database such as the NIST17 library yields multiple possible assignments requiring the end user to distinguish between multiple high scoring hits, or multiple low scoring hits while keeping in mind that the correct hit may not be in the database at all. Although techniques such as orthogonal information from techniques such as chromatography can greatly aid in unambiguous assignment, this also requires more complicated experimental designs and access to more complicated analytical instrumentation. Substructures can be trivially detected and represented as strings using a previously published technique called node coloring from a known chemical structure. However, for experimentally-derived EI-MS spectra this information must be derived from the spectra itself (i.e., because we do not know what compound it represents). To achieve this, the software uses techniques from the field of machine learning and a large training dataset of EI-MS spectra corresponding to known structures annotated with substructure strings, to build models that can predict the presence of a given chemical substructure from an EI-MS spectrum directly.If these predictions are of high-quality (i.e., are unlikely to be false positives), the presence of one or more predicted substructures can be used to constrain the number of possible hits for a query spectrum. Mathematically, this restriction could be expressed in many forms, but the most straight-forward implementation is to weight the cosine similarity of a query spectrum and a plausible database match with a Tanimoto-like coefficient based on the ratio of the number of substructures predicted to the number of substructures present in the potential database hit. Determining which combination of models best reduces assignment ambiguity will be achieved using a combination of manual curation and optimization techniques such as genetic algorithms. This software will perform all the steps necessary to construct said models from a training dataset and evaluate them using a holdout dataset. Various statistical analyses can be performed to determine if this approach does decrease assignment ambiguity. For example, if this approach works, on average, the rank-order of the correct assignment for the holdout set of EI-MS spectra should decrease and the weighted cosine similarities for most of the possible matches in the database should be better than the unweighted cosine similarities. Furthermore, this same pipeline can be used on real experimental data to generate less ambiguous assignments.

Mitchell, Joshua↗

Microtructure and Low-Cycle Fatigue Behavior of Additively Manufactured 316L Stainless Steel at 300°C

Metal additive manufacturing (AM) or 3D printing has the potential to transform the nuclear industry by producing high quality components faster and cheaper, thus enhancing the operating performance of current plants and advanced reactors. Two AM 316L tubes - intended to act as surrogates for complex components where nuclear equipment vendors are more likely to consider AM technologies - were printed using a Renishaw AM400 Laser Powder Bed Fusion (L-PBF) system. The porosity of the as-built material was found to be small, 0.06%. In prior research, the fatigue and corrosion fatigue crack growth rate (CGR) response of the AM specimens in the as-built condition was found to be similar to that expected for conventional alloys, and extremely resistant to stress corrosion cracking (SCC). The present research demonstrates that the low-cycle fatigue behavior of the AM material in air is similar to that of wrought stainless steel at LWR temperature. The data suggest that low porosity levels do not have a significant effect on the fatigue performance of AM materials. Taken together, all data generated to date demonstrate that the use of AM alloys in a nuclear environment is plausible. Additional research on environmental fatigue, crack initiation, and SCC needs to be conducted to provide the performance information needed to qualify AM materials for LWR applications.

36 MATERIALS SCIENCE↗

SDSS-IV MaNGA: Cannibalism Caught in the Act—On the Frequency of Occurrence of Multiple Cores in Brightest Cluster Galaxies

Although it is generally accepted that massive galaxies form in a two-phased fashion, beginning with a rapid mass buildup through intense starburst activities followed by primarily dry mergers that mainly deposit stellar mass at outskirts, the late time stellar mass growth of brightest cluster galaxies (BCGs), the most massive galaxies in the universe, is still not well understood. Several independent measurements have indicated a slower mass growth rate than predictions from theoretical models. We attempt to resolve the discrepancy by measuring the frequency of BCGs with multiple cores, which serve as a proxy of the merger rates in the central region and facilitate a more direct comparison with theoretical predictions. Using 79 BCGs at z = 0.06–0.15 with integral field spectroscopic data from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) project, we obtain a multiple-core fraction of 0.11 ± 0.04 at z ≈ 0.1 within an 18 kpc radius from the center, which is comparable to the value of 0.08 ± 0.04 derived from mock observations of 218 simulated BCGs from the cosmological hydrodynamical simulation IllustrisTNG. We find that most cores that appear close to the BCGs from imaging data turn out to be physically associated systems. Anchoring on the similarity in the multiple-core frequency between the MaNGA and IllustrisTNG, we discuss the mass growth rate of BCGs over the past 4.5 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗

Invertible neural networks for E3SM land model calibration and simulation

We apply an invertible neural network (INN) for E3SM land model calibration and simulation with eight parameters at the Missouri Ozark AmeriFlux forest site. INN provides bijective (two-way) mappings between inputs and outputs, thus it can solve probabilistic inverse problems and forward approximations simultaneously. We demonstrate INN's inverse and forward capability in both synthetic and real-data applications. Results indicate that INN produces accurate parameter posterior distributions similar to Markov Chain Monte Carlo sampling and it generates model outputs close to the forward model simulations. Additionally, both the inverse and forward evaluations in INN are computationally efficient which allows for rapid integration of observations for parameter estimation and fast model predictions.

Lu, Dan↗

Forensic Analysis of SOHO Router Binaries

Small Office/Home Office (SOHO) routers are used by millions of consumers across the United States, and are commensurately vulnerable. Forensic analysis of SOHO router firmware helps to understand and mitigate those vulnerabilities. This poster focused particularly on analysis of BusyBox executables, a software suite that provides several Unix utilities in a single file. Three main tools were used to analyze the binaries. BinWalk was used to extract the files, but also to build entropy graphs, extract Linux kernel images, and identify CPU architectures; WiiBin processed the binaries to find endianness, architecture, the percent compressed/encrypted, and compiler data; and @DisCo, a machine learning tool used to determine function similarity in disassembled binaries, analyzed similarities and determined versions of extracted BusyBox files from each router. These tools found that venders from all five routers utilized the same version of the BusyBox software across different firmware updates, demonstrating the importance of constant firmware scrutiny to protect against security vulnerabilities.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Geochemistry, RNA radiocarbon signature, and metatranscriptome data from Rifle, Colorado groundwater well

Understanding the different sources of carbon subsurface microbes use is highly informative yet remains challenging. The goal of this work was to develop and test a cultivation-independent method that analyzes both the radiocarbon and ribosomal RNA (rRNA) signature of unamplified RNA from the same environmental sample, and that collectively characterizes community carbon utilization under in situ conditions. The method was applied to a filtered groundwater sample from a geochemically reduced zone of a shallow alluvial aquifer near Rife, Colorado (CO), where multiple potential carbon sources co-occur. The radiocarbon and RNA-Seq results, while addressing diverse sample properties, indicated a strikingly similar conclusion about the quantitative role of autotrophy in the subsurface microbial community.This data package provides (1) ribosomal RNA (rRNA) sequences for groundwater microbial populations, (2) the taxonomic identity and relative abundance of groundwater microbial populations based on these rRNA sequences, (3) radiocarbon signatures of the rRNA indicating the source of carbon used by the groundwater microbial populations (provided in both Word docx file and pdf file), (4) geochemical measurements for the monitoring well corresponding to these measurements.

54 ENVIRONMENTAL SCIENCES↗

Active Learning for Anomaly Detection in Environmental data

Due to the growing amount of data from in-situ sensors in environmental monitoring, it becomes necessary to automatically detect anomalous data points. Nowadays, this is mainly performed using supervised machine learning models, which need a fully labelled data set for their training process. However, the process of labelling data is typically cumbersome and, as a result, a hindrance to the adoption of machine learning methods for automated anomaly detection. In this work, we propose to address this challenge by means of active learning. This method consists of querying the domain expert for the labels of only a selected subset of the full data set. We show that this reduces the time and costs associated to labelling while delivering the same or similar anomaly detection performances. Finally, we also show that machine learning models providing a nonlinear classification boundary are to be recommended for anomaly detection in complex environmental data sets.

54 ENVIRONMENTAL SCIENCES↗

Localized Interactions in Neutrino Simulations

The Deep Underground Neutrino Experiment (DUNE) requires precise modeling of neutrino--nucleus interactions to achieve its neutrino-oscillation measurement goals. GENIE, the Monte Carlo event generator used by DUNE, exhibits a known discrepancy with MicroBooNE measurements of transverse kinematic imbalance (TKI): the data display a larger high-TKI tail while maintaining a peak similar to that predicted by the baseline GENIE model. Previous variations of final-state interaction (FSI) strength affected both the peak and the tail and therefore did not resolve the discrepancy. This work investigates whether inconsistencies between local and global treatments of intranuclear physics contribute to the observed mismodeling. The GENIE FSI routines were modified to use the particle position when generating nucleons, thereby introducing a local-density treatment in the hA and hN intranuclear models for their 2018 and 2025 implementations. Meson-exchange-current (MEC) localization was also tested for the hN 2018 model. Comparisons of the intranuclear scattering-center momentum and its radial dependence confirm that the localization was implemented as intended. Localization produces modest changes in the proton momentum spectrum, primarily at low momentum, but only a small change in the TKI distribution between approximately \SI{0.25}{\giga\electronvolt} and \SI{0.40}{\giga\electronvolt}. These changes are insufficient to account for the discrepancy with MicroBooNE data. Although a localized treatment improves the internal consistency of the GENIE model, the origin of the TKI discrepancy remains unresolved.

Bulla, Braden [Unlisted, US, IL]↗

A Hybrid Bulk Algorithm to Predict Turbulent Fluxes over Dry and Wet Bare Soils

Measurements made in the Columbia River basin (Oregon) in an area of irregular terrain during the second Wind Forecast Improvement Project (WFIP2) field campaign are used to develop an optimized hybrid bulk algorithm to predict the surface turbulent fluxes from readily measured or modeled quantities over dry and wet bare or lightly vegetated soil surfaces. The hybrid (synthetic) algorithm combines (i) an aerodynamic method for turbulent flow, which is based on the transfer coefficients (drag coefficient and Stanton number), roughness lengths, and Monin–Obukhov similarity; and (ii) a modified Priestley–Taylor (P-T) algorithm with physically based ecophysiological constraints, which is essentially based on the surface energy budget (SEB) equation. Soil heat flux in the latter case was estimated from measurements of soil temperature and soil moisture. In the framework of the hybrid algorithm, bulk estimates of the momentum flux and the sensible heat flux are derived from a traditional aerodynamic approach, whereas the latent heat flux (or moisture flux) is evaluated from a modified P-T model. Direct measurements of the surface fluxes (turbulent and radiative) and other ancillary atmospheric/soil parameters made during WFIP2 for different soil conditions (dry and wet) are used to optimize and tune the hybrid bulk algorithm. The bulk flux estimates are validated against the measured eddy-covariance fluxes. We also discuss the SEB closure over dry and wet surfaces at various time scales based on the modeled and measured fluxes. Although this bulk flux algorithm is optimized for the data collected during the WFIP2, a hybrid approach can be used for similar flux-tower sites and field campaigns.

54 ENVIRONMENTAL SCIENCES↗

Characterization of Partially Observed Epidemics - Application to COVID-19

This report documents a statistical method for the "real-time" characterization of partially observed epidemics. Observations consist of daily counts of symptomatic patients, diagnosed with the disease. Characterization, in this context, refers to estimation of epidemiological parameters that can be used to provide short-term forecasts of the ongoing epidemic, as well as to provide gross information for the time-dependent infection rate. The characterization problem is formulated as a Bayesian inverse problem, and is predicated on a model for the distribution of the incubation period. The model parameters are estimated as distributions using a Markov Chain Monte Carlo (MCMC) method, thus quantifying the uncertainty in the estimates. The method is applied to the COVID-19 pandemic of 2020, using data at the country, provincial (e.g., states) and regional (e.g. county) levels. The epidemiological model includes a stochastic component due to uncertainties in the incubation period. This model-form uncertainty is accommodated by a pseudo-marginal Metropolis-Hastings MCMC sampler, which produces posterior distributions that reflect this uncertainty. We approximate the discrepancy between the data and the epidemiological model using Gaussian and negative binomial error models; the latter was motivated by the over-dispersed count data. For small daily counts we find the performance of the calibrated models to be similar for the two error models. For large daily counts the negative-binomial approximation is numerically unstable unlike the Gaussian error model. Application of the model at the country level (for the United States, Germany, Italy, etc.) generally provided accurate forecasts, as the data consisted of large counts which suppressed the day-to-day variations in the observations. Further, the bulk of the data is sourced over the duration before the relaxation of the curbs on population mixing, and is not confounded by any discernible country-wide second wave of infections. At the state-level, where reporting was poor or which evinced few infections (e.g., New Mexico), the variance in the data posed some, though not insurmountable, difficulties, and forecasts were able to capture the data with large uncertainty bounds. The method was found to be sufficiently sensitive to discern the flattening of the infection and epidemic curve due to shelter-in-place orders after around 90% quantile for the incubation distribution (about 10 days for COVID-19). The proposed model was also used at a regional level to compare the forecasts for the central and north-west regions of New Mexico. Modeling the data for these regions illustrated different disease spread dynamics captured by the model. While in the central region the daily counts peaked in the late April, in the north-west region the ramp-up continued for approximately three more weeks.

59 BASIC BIOLOGICAL SCIENCES↗

Studies of Localization Effects on Transverse Kinematic Imbalance in the GENIE Generator

The forthcoming Deep Underground Neutrino Experiment (DUNE) requires precise modeling of neutrino--nucleus interactions to achieve its neutrino-oscillation measurement goals. GENIE, the Monte Carlo event generator used by DUNE and other Fermilab-based experiments as a central value model for neutrino-nucleus cross sections, exhibits known discrepancies in comparison to MicroBooNE cross section data, especially when considering neutrino scattering events' transverse kinematic imbalance (TKI). For quasielastic-like measurements, the data show a larger transverse missing momentum tail while maintaining a peak similar to that predicted by the baseline GENIE model. Previous attempts at a solution include variations of final-state interaction (FSI) strengths, incorrectly decreasing both the peak and tail, thus leaving the discrepancy unresolved. This work investigates whether inconsistencies between local and global treatments of intranuclear physics contribute to the observed mismodeling. In this work, GENIE FSI routines have been modified to directly utilize intranuclear particle positions, thereby introducing a newly localized momentum treatment in correlation with the nominal density in both the hA and hN intranuclear cascade models for their 2018 and 2025 variants. Meson-exchange-current (MEC) localization was also tested for the hN 2018 model. Comparisons of the intranuclear nucleons' ("scattering center") momentum and its radial dependence validate the localization implementation. However, while such consistent localization produces modest changes in the proton momentum spectrum at low-to-medium momenta, only small changes are observed in the TKI distributions. These changes are insufficient to account for the discrepancy with MicroBooNE data. Although a localized treatment improves the internal consistency of the GENIE model, the origin of the TKI discrepancy remains unresolved by such a solution.

Bulla, Braden [Ctr. Coll., Danville; Fermilab]↗

Meteorological Tower Network Expansion Pilot Project Siting Considerations to Ensure Data Quality and Representativeness of Three New Meteorological Towers at Los Alamos National Laboratory

Associated with the Meteorological Tower Network Expansion Pilot Project by the Environmental Protection and Compliance (EPC) Compliance Programs (CP) Meteorology and Air Quality (MAQ) team, the purpose of this technical report is to establish requisite justification for the siting of three 10-meter high instrumented meteorological towers at three new locations on the Los Alamos National Laboratory (LANL) site. These towers and their associated instrumentation are similar in scope to the existing 10-meter meteorological tower that is collecting meteorological data in Mortandad Canyon (MDCN). The conclusions and recommendations in this technical report will inform LANL management, EPC-CP MAQ staff, and other LANL divisions of the criteria employed for the selection of the final location for siting these three new towers. Meeting such comprehensive criteria will ensure that all data acquired will be spatially representative for meeting the diverse Safety Basis (SB), emergency management, and operations organizations programmatic needs and analytical data input requirements to its codes.

54 ENVIRONMENTAL SCIENCES↗

A resolution independent neural operator

The Deep operator network (DeepONet) is a powerful yet simple neural operator architecture that utilizes two deep neural networks to learn mappings between infinite-dimensional function spaces. This architecture is highly flexible, allowing the evaluation of the solution field at any location within the desired domain. However, it imposes a strict constraint on the input space, requiring all input functions to be discretized at the same locations; this limits its practical applications. Here, in this work, we introduce a general framework for operator learning from input–output data with arbitrary number and locations of sensors. This begins by introducing a resolution-independent DeepONet (RI-DeepONet), enabling it to handle input functions that are arbitrarily, but sufficiently finely, discretized. To this end, we propose two dictionary learning algorithms to adaptively learn a set of appropriate continuous basis functions, parameterized as implicit neural representations (INRs), from correlated signals defined on arbitrary point cloud data. These basis functions are then used to project arbitrary input function data as a point cloud onto an embedding space (i.e., a vector space of finite dimensions) with dimensionality equal to the dictionary size, which can be directly used by DeepONet without any architectural changes. In particular, we utilize sinusoidal representation networks (SIRENs) as trainable INR basis functions. The introduced dictionary learning algorithms are then used in a similar way to learn an appropriate dictionary of basis functions for the output function data, which defines a new neural operator architecture referred to as the R esolution I ndependent N eural O perator (RINO). In the RINO, the operator learning task simplifies to learning a mapping from the coefficients of input basis functions to the coefficients of output basis functions. We demonstrate the robustness and applicability of RINO in handling arbitrarily (but sufficiently richly) sampled input and output functions during both training and inference through several numerical examples.

Deep operator network (DeepONet)↗

Constraining Cosmology with Simulation-based inference and Optical Galaxy Cluster Abundance

We test the robustness of simulation-based inference (SBI) in the context of cosmological parameter estimation from galaxy cluster counts and masses in simulated optical datasets. We construct ``simulations'' using analytical models for the galaxy cluster halo mass function (HMF) and for the observed richness (number of observed member galaxies) to train and test the SBI method. We compare the SBI parameter posterior samples to those from an MCMC analysis that uses the same analytical models to construct predictions of the observed data vector. The two methods exhibit comparable performance, with reliable constraints derived for the primary cosmological parameters, ($\Omega_m$ and $\sigma_8$), and richness-mass relation parameters. We also perform out-of-domain tests with observables constructed from galaxy cluster-sized halos in the Quijote simulations. Again, the SBI and MCMC results have comparable posteriors, with similar uncertainties and biases. Unsurprisingly, upon evaluating the SBI method on thousands of simulated data vectors that span the parameter space, SBI exhibits worsened posterior calibration metrics in the out-of-domain application. We note that such calibration tests with MCMC is less computationally feasible and highlight the potential use of SBI to stress-test limitations of analytical models, such as in the use for constructing models for inference with MCMC.

79 ASTRONOMY AND ASTROPHYSICS↗

Flexible and Adaptive Malware Identification Using Techniques from Biology

The holy grail in cyber analytics is to find new ways to understand the information we already have access to. One way to do that is to characterize the data into reasonable sizes and then leverage any known information to generate new insights. Biologists have been using a similar process for decades. This paper introduces the MLSTONES tool set that was developed by leveraging biology and bioinformatics, high performance computing, and statistical algorithms applied to cyber data and specifically to malware. Furthermore, the paper discusses the tool suite, its applications, and how it compares or can work with other related tools.

Peterson, Elena S.↗