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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A physics-informed and hierarchically regularized data-driven model for predicting fluid flow through porous media

This paper presents a new deep learning data-driven model for predicting structure dependent pore-fluid velocity fields in rock. The model is based on a Convolutional Auto-Encoder (CAE) artificial neural network capable of learning from image data generated by direct numerical simulations of fluid flow through pore-structures, such as by Lattice Boltzmann or molecular dynamics methods. The main novelty of the model in comparison to previous CAE-based data-driven approaches consists of three parts. The first is a methodology for decomposing the full-domain of the porous media into sub-regions, or “sub-domains”, in order to reduce the overall size of the CAE, batch process the sub-domains in parallel, and enable the CAE to learn local and generalizable nonlinear mappings of pore-fluid velocities. The second consists of embedding the finite difference solutions of the incompressible Navier-Stokes and continuity equations into convolutional layers prior to the CAE in order to provide the CAE with knowledge of fluid dynamics physics (PhyFlow). The third main novelty is that the training of the CAE is regularized with a hierarchical loss function that encourages the learning of fluid flow patterns (in a way similar to ranked modes in principal component analysis), ranking from most to least important. This is shown to increase the stability in learning, reduce over-fitting, and promote interpretability of the CAE neural network layers (HierCAE). The comprehensive new data-driven model, which we call the PhyFlow-HierCAE model, is shown to exhibit improved accuracy and generalizability of flow field predictions over conventional CAE models, attributable to the embedded physical knowledge and the hierarchical regularization, as well as realize orders of magnitude speed-ups in computation times as a surrogate for the direct numerical simulations. Examples of training and forward predictions on unseen pore-structures are provided and evaluated for data from Lattice Boltzmann and molecular dynamics simulations of pore-fluid flow. The model is shown to be a fast and accurate emulator (or “surrogate”) for predicting effective permeability of unseen pore-structures based on learning from relatively small direct numerical simulation datasets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

A theoretical index for understanding distinct land relative humidity trends in observations, reanalyses, and models

Land surface relative humidity (RH) is a key variable in the coupled land–atmosphere system that profoundly influences terrestrial hydroclimate and ecosystems. Yet historical changes in land RH are not well understood due to limited observations, biased reanalyses, and the lack of a framework for interpreting RH changes under multiple influencing factors. Here, we show that the spatiotemporal variability of land RH and its distinct historical trends among observations, reanalyses, and Earth system models are captured by a simple index based on the ratio of precipitation (P) to a modified potential evapotranspiration formulated independently of RH (PET°). The index provides a physical calibration of biased land RH in reanalyses and a quantitative framework for interpreting land RH changes. Over 1973–2024, land RH has decreased substantially, owing to the intrinsic rise in PET° with temperature and little increase in land precipitation. Reanalyses overestimate the observed RH decrease, consistent with exaggerated surface warming and precipitation decline. The index captures this coherent bias and enables a calibration using observed precipitation and temperature. Models simulate a wide range of land RH trends, but nearly all runs underrepresent the historical drying. The index captures the model spread and discrepancy and attributes them to contributions of precipitation and PET°. Weaker land RH decreases in models arise mainly from weaker subtropical precipitation declines, linked to muted intensification of subtropical highs and biased subtropical climatology. The model–observation discrepancy is unlikely explained by internal variability, implying model underestimation of forced RH decrease and a drier land future than current projections.

Earth system models↗
DOE OSTI2026

Using Flory–Huggins-informed human-in-the-loop Bayesian optimization to map the phase diagram of polymer blends

Mapping the phase diagram of polymer blends is an essential step in controlling the structure–property relationship of polymer-based materials. However, traditional grid-based approaches are inefficient and rely on subjective judgements for terminating the experimental campaign. Artificial intelligence-guided experimentation offers a compelling alternative, especially when data-driven decision-making is interfaced with established polymer thermodynamics to improve efficiency and interpretability. Here, we introduce a physics-informed Bayesian optimization approach to guide the mapping of the phase diagram of a model blend containing poly(methyl methacrylate) and poly(styrene-ran-acrylonitrile). Physical information is derived from a Flory–Huggins representation of the spinodal curve, which is integrated into the Bayesian optimization process as a structured prior mean that acts as a soft constraint. Implemented as a human-in-the-loop workflow, the approach leverages optical imaging of film cloudiness with iterative Gaussian process surrogate modeling and a parameter selection decision policy to identify the composition-temperature conditions for sequential iterations. Convergence of kernel and Flory–Huggins-based hyperparameters provided a stopping criterion, ensuring an objective and interpretable termination of the experimental campaign. The framework recovered the known lower critical solution temperature (∼160 °C), while increasing material efficiency through targeted sampling. This work establishes a proof-of-concept for the application of Bayesian optimization workflows to study polymer blend miscibility.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interactions Between Diabetes Mellitus and Osteoarthritis: From Animal Studies to Clinical Data

Diabetes mellitus (DM) and osteoarthritis (OA) are commonly known metabolic diseases that affect a large segment of the world population. These two conditions share several risk factors such as obesity and aging; however, there is still no consensus regarding the direct role of DM on OA development and progression. Interestingly, both animal and human studies have yielded conflicting results, with some showing a significant role for DM in promoting OA, while others found no significant interactions between these conditions. In this review, we will discuss preclinical and clinical data that assessed the interaction between DM and OA. We will also discuss possible mechanisms associated with the effect of high glucose on the articular cartilage and chondrocytes. An emerging theme dominates the breath of published work in this area: most of the studies discussed in this review do not take into consideration the role of other factors such as the type of diabetes, age, biological sex, type of animal model, body mass index, and the use of pain medications when analyzing and interpreting data. Therefore, future studies should be more rigorous when designing experiments looking at DM and its effects on OA and should carefully account for these confounding factors, so that better approaches can be developed for monitoring and treating patients at risk of OA and DM.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Searches for lepton-flavour-violating decays of the Higgs boson into $eτ$ and $μτ$ in $ \sqrt{s}$ = 13 TeV pp collisions with the ATLAS detector

This paper presents direct searches for lepton flavour violation in Higgs boson decays, H → eτ and H → μτ, performed using data collected with the ATLAS detector at the LHC. The searches are based on a data sample of proton-proton collisions at a centre-of-mass energy $\sqrt{s}$ = 13 TeV, corresponding to an integrated luminosity of 138 fb –1 . Leptonic (τ → ℓν ℓ ν τ ) and hadronic (τ → hadrons ν τ ) decays of the τ-lepton are considered. Two background estimation techniques are employed: the MC-template method, based on data-corrected simulation samples, and the Symmetry method, based on exploiting the symmetry between electrons and muons in the Standard Model backgrounds. No significant excess of events is observed and the results are interpreted as upper limits on lepton-flavour-violating branching ratios of the Higgs boson. The observed (expected) upper limits set on the branching ratios at 95% confidence level, $\mathcal{B}$(H → eτ) < 0.20% (0.12%) and $\mathcal{B}$(H → μτ ) < 0.18% (0.09%), are obtained with the MC-template method from a simultaneous measurement of potential H → eτ and H → μτ signals. The best-fit branching ratio difference, $\mathcal{B}$(H → μτ) → $\mathcal{B}$(H → eτ), measured with the Symmetry method in the channel where the τ-lepton decays to leptons, is (0.25 ± 0.10)%, compatible with a value of zero within 2.5σ.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Entanglement entropy of a color flux tube in (2+1)D Yang-Mills theory

We construct a novel flux tube entanglement entropy (FTE 2 ), defined as the excess entanglement entropy relative to the vacuum of a region of color flux stretching between a heavy quark-anti-quark pair in pure gauge Yang-Mills theory. We show that FTE 2 can be expressed in terms of correlators of Polyakov loops, is manifestly gauge-invariant, and therefore free of the ambiguities in computations of the entanglement entropy in gauge theories related to the choice of the center algebra. Employing the replica trick, we compute FTE 2 for SU(2) Yang-Mills theory in (2+1)D and demonstrate that it is finite in the continuum limit. We explore the properties of FTE 2 for a half-slab geometry, which allows us to vary the width and location of the slab, and the extent to which the slab cross-cuts the color flux tube. Following the intuition provided by computations of FTE 2 in (1+1)D, and in a thin string model, we examine the extent to which our FTE 2 results can be interpreted as the sum of an internal color entropy and a vibrational entropy corresponding to the transverse excitations of the string.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Network of networks: Time series clustering of AmeriFlux sites

Environmental observation networks, such as AmeriFlux, are foundational for monitoring ecosystem response to climate change, management practices, and natural disturbances; however, their effectiveness depends on their representativeness for the regions or continents. We proposed an empirical, time series approach to quantify the similarity of ecosystem fluxes across AmeriFlux sites. We extracted the diel and seasonal characteristics (i.e., amplitudes, phases) from carbon dioxide, water vapor, energy, and momentum fluxes, which reflect the effects of climate, plant phenology, and ecophysiology on the observations, and explored the potential aggregations of AmeriFlux sites through hierarchical clustering. While net radiation and temperature showed latitudinal clustering as expected, flux variables revealed a more uneven clustering with many small (number of sites < 5), unique groups and a few large (> 100) to intermediate (15–70) groups, highlighting the significant ecological regulations of ecosystem fluxes. Many identified unique groups were from under-sampled ecoregions and biome types of the International Geosphere-Biosphere Programme (IGBP), with distinct flux dynamics compared to the rest of the network. At the finer spatial scale, local topography, disturbance, management, edaphic, and hydrological regimes further enlarge the difference in flux dynamics within the groups. Nonetheless, our clustering approach is a data-driven method to interpret the AmeriFlux network, informing future cross-site syntheses, upscaling, and model-data benchmarking research. Finally, we highlighted the unique and underrepresented sites in the AmeriFlux network, which were found mainly in Hawaii and Latin America, mountains, and at under-sampled IGBP types (e.g., urban, open water), motivating the incorporation of new/unregistered sites from these groups.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Laser-driven ionization mechanisms of aluminum for single particle aerosol mass spectrometry

Single particle aerosol mass spectrometry (SPAMS), an analytical technique for measuring the size and composition of individual micron-scale particles, is capable of analyzing atmospheric pollutants and bioaerosols much more efficiently and with more detail than conventional methods which require the collection of particles onto filters for analysis in the laboratory. Despite SPAMS’ demonstrated capabilities, the primary mechanisms of ionization are not fully understood, which creates challenges in optimizing and interpreting SPAMS signals. In this paper, we present a well-stirred reactor model for the reactions involved with the laser-induced vaporization and ionization of an individual particle. The SPAMS conditions modeled in this paper include a 248 nm laser which is pulsed for 8 ns to vaporize and ionize each particle in vacuum. The ionization of 1 μm, spherical Al particles was studied by approximating them with a 0-dimensional plasma chemistry model. The primary mechanism of absorption of the 248 nm photons was pressure-broadened direct photoexcitation to Al(y 2 D). Atoms in this highly excited state then undergo superelastic collisions with electrons, heating the electrons and populating the lower energy excited states. We found that the primary ionization mechanism is electron impact ionization of various excited state Al atoms, especially Al(y 2 D). Because the gas expands rapidly into vacuum, its temperature decreases rapidly. The rate of three-body recombination (e - + e - + Al + → Al + e - ) increases at low temperature, and most of the electrons and ions produced recombine within several μs of the laser pulse. The importance of the direct photoexcitation indicates that the relative peak heights of different elements in SPAMS mass spectra may be sensitive to the available photoexcitation transitions. We also discuss the effects of laser intensity, particle diameter, and expansion dynamics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Discovery of TOI-1260d and the characterization of the multiplanet system

ABSTRACT We report the discovery of a third planet transiting the star TOI-1260, previously known to host two transiting sub-Neptune planets with orbital periods of 3.127 and 7.493 d, respectively. The nature of the third transiting planet with a 16.6-d orbit is supported by ground-based follow-up observations, including time-series photometry, high-angular resolution images, spectroscopy, and archival imagery. Precise photometric monitoring with CHEOPS allows to improve the constraints on the parameters of the system, improving our knowledge on their composition. The improved radii of TOI-1260b and TOI-1260c are $2.36 \pm 0.06 \rm R_{\oplus }$, $2.82 \pm 0.08 \rm R_{\oplus }$, respectively while the newly discovered third planet has a radius of $3.09 \pm 0.09 \rm R_{\oplus }$. The radius uncertainties are in the range of 3 per cent, allowing a precise interpretation of the interior structure of the three planets. Our planet interior composition model suggests that all three planets in the TOI-1260 system contains some fraction of gas. The innermost planet TOI-1260b has most likely lost all of its primordial hydrogen-dominated envelope. Planets c and d were also likely to have experienced significant loss of atmospheric through escape, but to a lesser extent compared to planet b.

Lam, K. W. F. (ORCID:0000000299106088)↗
DOE OSTI2025

2D end-to-end modelling of kilonovae from binary neutron star merger remnants

We investigate the kilonova emission resulting from outflows produced in a 3D general-relativistic magnetohydrodynamic (GRMHD) simulation of a hypermassive neutron star (HMNS) remnant. We map the outflows into the flash hydrodynamics code to model their expansion in axisymmetry, and study the effects of employing different r-process heating rates. Except for the highest heating rate prescription, we find no significant differences with respect to overall ejecta dynamics and morphology compared to the simulation without heating. Once homologous expansion is attained, typically after ~2s for these ejecta, we map the outflows to the sedona radiative transfer code and compute the spectral evolution of the kilonova and broad-band light curves in various Legacy Survey of Space and Time (LSST) bands. The kilonova properties depend on the remnant lifetime, with peak luminosities and peak time-scales increasing for longer lived remnants that produce more massive ejecta. For all models, there is a strong dependence of both the bolometric and broad-band light curves on the viewing angle. While the short-lived (12 ms) remnant produces higher luminosities when viewed from angles closer to the pole, longer lived remnants (240 ms and 2.5 s) are more luminous when viewed from angles closer to the equator. Our results highlight the importance of self-consistent, long-term modelling of merger ejecta, and taking viewing-angle dependence into account when interpreting observed kilonova light curves. We find that magnetized outflows from an HMNS – if it survives long enough – could explain blue kilonovae, such as the blue emission seen in AT2017gfo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Nonadiabatic strong-field photoionization revisited: Detailed analysis

We develop a theoretical framework to interpret “bump-like” enhancements in the energy distribution of electrons emitted from cesium atoms subjected to intense infrared laser fields, as observed in a recent experiment. These emissions, detected at energies approaching twice the ponderomotive energy (2⁢𝑈 p ), indicate a mechanism where electrons are nonadiabatically ejected with substantial inward velocity following ionization. The bump-like features arise from returning trajectories that scatter off the residual ion. We interpret these experimental results classically using a periodically driven version of the Bohr model and quantum mechanically through Keldysh's adiabaticity parameter (𝛾 K ) and Reiss's continuum-state intensity parameter 𝒵 in a Coulomb-corrected version of the strong-field approximation (SFA) that incorporates “complex” electronic trajectories. Notably, our theoretical analysis shows that these emissions are independent of the specific short-range form of the atomic potential.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

String-based model with Hagedorn temperature of 𝑇 𝐻 ∼ 300 MeV describes the spectrum of mesons and glueballs

We consider the thermodynamics of a color-confined phase of quantum chromodynamics (QCD) and pure gauge theory within a string-inspired corresponding to a physical spatial dimension, 𝑑 = 3. We show that the physical mass spectrum of massive mesons—in both the strange and nonstrange sectors separately—is reasonably well described and extended by the exponential mass spectrum of open strings, 𝜌⁡(𝑚), characterized by a unique Hagedorn temperature 𝑇 𝐻 = $\sqrt3⁢𝜎/2⁢𝜋$, expressed by the string tension 𝜎. This 𝑇 𝐻 is the value appropriate for 𝑑 = 3 spatial dimensions and is of the order of 𝑇 𝐻 ∼ 300 MeV for typical values of the string tension. It is much larger than the values of 𝑇 𝐻 which have been phenomenologically extracted so far to describe the meson spectrum. Glueball states in pure gauge theory, modeled by closed strings, exhibit a similarly large Hagedorn temperature, highlighting a universal feature of the exponential spectrum. We further analyze the thermodynamic properties of the equation of state at finite temperature and demonstrate that, in the confined phase, the string models agree with lattice QCD results. This lends further support to the recent interpretation of the QCD phase diagram that incorporates strings as relevant degrees of freedom.

Phase transitions↗
DOE OSTI2020

Analysis of THz generation by multicolor laser pulses with various frequency ratios

Here, terahertz (THz) generation in a gas medium is simulated by quantum calculations with multicolor intense laser pulses of various frequency ratios. By correlating THz radiation with the above-threshold-ionization photoelectron spectrum, we confirm that our previously proposed free-free transition model for the generation of THz radiation is also applicable to multicolor pulses. THz photon emissions can proceed through transitions between continuous states with similar energies that have opposite parities. This mechanism predicts that THz waves can be efficiently generated at special two-color laser frequency ratios when the multiphoton mixing condition is satisfied. Applying this model to multicolor fields (sawtooth wave shape), we provide a quantum-mechanical interpretation for the reason for THz radiation enhancement. A scheme combining multiple lasers to raise THz radiation satisfying multiphoton mixing conditions is also proposed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Ab initio investigation of the Li 7 ( p , e + e - ) Be 8 process and the X17 boson

Observations of anomalies in the electron-positron angular correlations in high-energy decays in 4 He, 8 Be, and 12 C have been reported recently by the ATOMKI collaboration. These could be explained by the creation and subsequent decay of a new boson with a mass of ≈ 17MeV. Theoretical understanding of pair creation in the proton capture reactions used in these experiments is important for the interpretation of the anomalies. We apply the ab initio no-core shell model with continuum (NCSMC) to the proton capture on 7 Li. The NCSMC describes both bound and unbound states in light nuclei in a unified way with chiral two- and three-nucleon interactions as the only input. We investigate the structure of 8 Be, the p+ 7 Li elastic scattering, the 7 Li(p,y)⁢ 8 Be cross section, and the internal pair creation 7 Li ⁢(p,e + ⁢e - ) 8 Be. Here we discuss the impact of a proper treatment of the initial scattering state on the electron-positron angular correlation spectrum and compare our results to available ATOMKI data sets. Finally, we calculate 7 Li ⁢(p,X)⁢ 8 Be cross sections for several proposed models of the hypothetical X17 particle.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Search for resonant $WZ$ production in the fully leptonic final state in proton–proton collisions at $\sqrt{s}$= 13 TeV with the ATLAS detector

A search for a $WZ$ resonance, in the fully leptonic final state (electrons or muons), is performed using 139 fb –1 of data collected at a centre-of-mass energy of 13 TeV by the ATLAS detector at the Large Hadron Collider. The results are interpreted in terms of a singly charged Higgs boson of the Georgi–Machacek model, produced by WZ fusion, and of a Heavy Vector Triplet, with the resonance produced by $WZ$ fusion or the Drell–Yan process. No significant excess over the Standard Model prediction is observed and limits are set on the production cross-section times branching ratio as a function of the resonance mass for these processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

ML Pipeline (Machine Learning Pipeline) [SWR-22-35]

The Machine Learning Pipeline (ML Pipeline) allows the user to fit a model to predict a dependent variable, y, based on a feature set, X. ML Pipeline gives the ability to automatically generate features with its Feature Engineering function, automatically select the most important features with its Feature Selection function, fit the model with its Fit function, and evaluate the model with its Evaluate function. ML Pipeline's functionality can not only help the user predict values for the desired variable it also gives the user a better understanding of which features are important and how effective the model is. ML Pipeline accomplishes all this, while remaining simple to use and interpret.

Schiek, Andrew↗
DOE OSTI2020

A New Capability of E4D For 3D Parallel Joint Inversion of DC Resistivity And Traveltime Data on Unstructured Mesh

A major challenge in interpreting geophysical data is how to derive consistent three-dimensional (3D) earth models of different physical properties from spatially and temporally limited measurements. Joint inversion with cross-gradient constraints is an approach to find such models by imposing structural similarities between different physical parameters. We have developed a parallel distributed-memory joint inversion code for direct-current (DC) resistivity and traveltime data using the cross-gradient constraint on unstructured mesh. The code utilizes existing E4D framework for parallel forward simulation, distributed storage and computation of the Jacobian matrix of forward operator, and parallel execution of matrix-vector multiplication during inversion. Besides, the joint inversion is solved by nonlinear conjugate gradient algorithm parallelized for DC resistivity and traveltime data. The joint inversion capability of E4D was tested using synthetic data from cross-borehole DC resistivity and traveltime data. The results indicate that the shape and size of the anomalies from the joint inversion are more reliable than those from separate inversions.

58 GEOSCIENCES↗
DOE OSTI2024

Assessment of Condition Monitoring Methods and Technologies for Inservice Inspection and Testing of Nuclear Power Plant Components

This report was prepared for the U.S. Nuclear Regulatory Commission (NRC) to explore the application of advanced technologies toward meeting the current and future regulatory requirements for maintenance and condition monitoring of structures, systems, and components. The advanced technologies considered in this work are advanced sensors and instrumentation, data analytics, machine learning and artificial intelligence (ML/AI), physics-based models, and digital twins (DT). The interest in the application of advanced technologies for condition monitoring in nuclear power plants continues to grow, and current and future licensees are expected to implement advanced technologies as part of their inservice inspection (ISI) and inservice testing (IST) programs. This report delineates the outcomes of an exploratory investigation into the implementation of advanced condition monitoring technologies to address ISI and IST requirements. A thorough review was conducted of the existing regulatory requirements for ISI and IST, along with an analysis of associated industry practices. Additionally, a state-of-the-art assessment was performed on advanced condition monitoring technologies frequently employed in non-nuclear sectors. This research incorporated two nuclear-specific case studies to illustrate the application of these technologies within the current nuclear fleet. The report provides an exhaustive discussion on the technical challenges, considerations, and opportunities associated with the deployment of advanced condition monitoring technologies. The following are key considerations in the application of advanced technologies for the ISI and IST of nuclear power plant components: • Developing adequate verification and validation procedures to confirm the functional and non-functional requirements, • Developing technical capabilities to conduct real-time asset condition monitoring, • Establishing guidance and protocol for modeling and simulation tools to continuously meet regulatory requirements, • Addressing trustworthiness, explainability, and interpretability of ML/AI methods, • Evaluating maintenance activities to maintain an adequate safety margin and avoid undesirable conditions, • Establishing cybersecure condition monitoring programs associated with a computer-based software system, and • Establishing standardized evaluation metrics for advanced condition monitoring programs. Interest in the use of advanced technologies for condition monitoring in ISI and IST programs continues to grow, and the technology is expected to experience rapid and wide industry adoption in the near future. Adoption of advanced technologies for condition monitoring could have novel and unique impacts on regulatory activities associated with ISI and IST programs. The NRC is continuing to explore the regulatory aspects of advanced technologies as part of ISI and IST programs by pursuing additional research in this technical area.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗