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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 145 records · Page 8

Synergistic learning with multi-task DeepONet for efficient PDE problem solving

Multi-task learning (MTL) is an inductive transfer mechanism designed to leverage useful information from multiple tasks to improve generalization performance compared to single-task learning. It has been extensively explored in traditional machine learning to address issues such as data sparsity and overfitting in neural networks. In this work, we apply MTL to problems in science and engineering governed by partial differential equations (PDEs). However, implementing MTL in this context is complex, as it requires task-specific modifications to accommodate various scenarios representing different physical processes. To this end, we present a multi-task deep operator network (MT-DeepONet) to learn solutions across various functional forms of source terms in a PDE and multiple geometries in a single concurrent training session. We introduce modifications in the branch network of the vanilla DeepONet to account for various functional forms of a parameterized coefficient in a PDE. Additionally, we handle parameterized geometries by introducing a binary mask in the branch network and incorporating it into the loss term to improve convergence and generalization to new geometry tasks. Our approach is demonstrated on three benchmark problems: (1) learning different functional forms of the source term in the Fisher equation; (2) learning multiple geometries in a 2D Darcy Flow problem and showcasing better transfer learning capabilities to new geometries; and (3) learning 3D parameterized geometries for a heat transfer problem and demonstrate the ability to predict on new but similar geometries. Finally, our MT-DeepONet framework offers a novel approach to solving PDE problems in engineering and science under a unified umbrella based on synergistic learning that reduces the overall training cost for neural operators.

42 ENGINEERING↗

High resolution numerical simulations of methane pool fires using adaptive mesh refinement

The ability to accurately predict the structure and dynamics of pool fires using computational simulations is of great interest in a wide variety of applications, including accidental and wildland fires. However, the presence of physical processes spanning a broad range of spatial and temporal scales poses a significant challenge for simulations of such fires, particularly at conditions near the transition between laminar and turbulent flow. Here, in this study, we examine the transition to turbulence in methane pool fires using high-resolution simulations with multi-step finite rate chemistry, where adaptive mesh refinement (AMR) is used to directly resolve small-scale flow phenomena. We perform three simulations of methane pool fires, each with increasing diameter, corresponding to increasing inlet Reynolds and Richardson numbers. As the diameter increases, the flow transitions from organized vortex roll-up via the puffing instability to much more chaotic mixing associated with finger formation along the shear layer and core collapse near the inlet. These effects combine to create additional mixing close to the inlet, thereby enhancing fuel consumption and causing more rapid acceleration of the fluid above the pool. We also make comparisons between the transition to turbulence and core collapse in the present pool fires and in inert helium plumes, which are often used as surrogates for the study of buoyant reacting flows.

42 ENGINEERING↗

NEML2: An efficient and modular multiphysics constitutive modeling library for hybrid computing environments

This paper presents NEML2, an open-source, high-performance library developed for constitutive material modeling, designed to support the flexible and modular development of models for complex material behavior. Building on the foundational structure of its predecessor, NEML, the NEML2 library introduces significant improvements, including enhanced vectorization, automatic differentiation, and seamless integration with PyTorch, facilitating the application of machine learning techniques in material simulations. NEML2 provides a C++ backend with Python bindings, enabling users to create custom material models that can be executed efficiently on both CPU and GPU platforms. The library also supports coupling with Multiphysics simulation frameworks like MOOSE, making it suitable for realistic simulations involving coupled physical processes. Rigorous quality assurance through unit and regression testing ensures the reliability of results, while the extensible, user-friendly design encourages collaboration and reproducibility across the scientific community. This paper provides an overview of NEML2’s architecture, core features, and applications, highlighting its impact on accelerating material qualification and advancing computational methods in materials science.

GPU↗

Street-level temperature estimation using graph neural networks: Performance, feature embedding and interpretability

Estimating street-level air temperature is a challenging task due to the highly heterogeneous urban surfaces, canyon-like street morphology, and the diverse physical processes in the built environment. Though pioneering studies have embarked on investigations via data-driven approaches, many questions remain to be answered. Here, in this study, we leveraged an innovative framework and redefined the street-level temperature estimation problem using Graph Neural Networks (GNN) with spatial embedding techniques. The results showed that GNN models are more capable and consistent of estimating street-level temperature among tested locations, benefiting from its unique strength in handling extensive data over unstructured graph topology. In addition, we conducted in-depth analysis of feature importance to enhance the model interpretability. Among the urban features analyzed in this study, the time-variant canopy density and meter-level land use data emerge as crucial factors. Our findings highlight GNN 's high potential in capturing the complex dynamics between urban elements and their impacts on microclimate, thus offering valuable insights for comprehensive urban data collection and urban climate modeling in general. Collectively, this study also contributes to urban planning and policy by providing avenues to enhance city resilience against climate change, thereby advancing the agenda for environmental stewardship and urban sustainability.

54 ENVIRONMENTAL SCIENCES↗

Storm surges and extreme sea levels: Review, establishment of model intercomparison and coordination of surge climate projection efforts (SurgeMIP).

Coastal flood damage is primarily the result of extreme sea levels. Climate change is expected to drive an increase in these extremes. While proper estimation of changes in storm surges is essential to estimate changes in extreme sea levels, there remains low confidence in future trends of surge contribution to extreme sea levels. Alerting local populations of imminent extreme sea levels is also critical to protecting coastal populations. Both predicting and projecting extreme sea levels require reliable numerical prediction systems. The SurgeMIP (surge model intercomparison) community has been established to tackle such challenges. Efforts to intercompare storm surge prediction systems and coordinate the community 's prediction and projection efforts are introduced. An overview of past and recent advances in storm surge science such as physical processes to consider and the recent development of global forecasting systems are briefly introduced. Selected historical events and drivers behind fast increasing service and knowledge requirements for emergency response to adaptation considerations are also discussed. The community 's initial plans and recent progress are introduced. These include the establishment of an intercomparison project, the identification of research and development gaps, and the introduction of efforts to coordinate projections that span multiple climate scenarios.

54 ENVIRONMENTAL SCIENCES↗

Gas Evolution in Water Electrolysis

Gas bubbles generated by the hydrogen evolution reaction and oxygen evolution reaction during water electrolysis influence the energy conversion efficiency of hydrogen production. Here we survey what is known about the interaction of gas bubbles and electrode surfaces and the influence of gas evolution on practicable devices used for water electrolysis. Here, we survey the physical processes occurring during the life cycle of a bubble, summarize techniques used to characterize gas evolution phenomena in-situ and in practical device environments, and discuss ways that electrodes can be tailored to facilitate gas removal at high current densities. Lastly, we summarize efforts to model the behavior of individual gas bubbles and multiphase flows produced at gas evolving electrodes. We conclude our review with a short summary of outstanding questions which could be answered by future efforts to characterize gas evolution in electrochemical device environments or by improved simulations of multiphase flows.

Bubbles↗

Fault Slip and Fluid Flow: Seismic Source Analysis to Assess Role of Multiple Slip Patches in Fault Permeability

The relationship between fault reactivation, microearthquakes (MEQs), and permeability evolution during fluid injection plays a critical role in energy harvesting and waste disposal. Recent studies have demonstrated the possibility of predicting fault permeability using cumulative seismic moments of MEQs quantitatively. To understand the underlying physical processes, we conduct fault reactivation experiments using Utah FORGE granitoid and analyze acoustic emission (AE) signals generated during stepwise increases in fluid injection pressure. Frequency analysis of thousands of calibrated AE signals reveals that fault reactivation produces multiple AE source patches with millimeter-scale radii—smaller than the sample fault radius. The cumulative area of the reactivated patches covers the fault multiple times over (∼10x–50x area) for each pressure step. These findings provide mechanistic insight that measured permeability enhancement is not driven by a single large slip event, but by the sequential and interacting activation of multiple slip patches that create a continuous flow pathway.

Nurshal, M. E. M. [Pennsylvania State University, ↗

Modeling Large Dust Aerosols in the Community Earth System Model Version 2 (CESM2)

Dust aerosols have a wide size distribution from less than 0.1 to over 100 μm and dominate Earth's atmospheric aerosol mass. However, most Earth system models (ESMs) inadequately represent dust aerosols larger than 10 μm in diameter, limiting the accuracy of the simulated dust cycle and climate impacts. Here, we introduce a new modeling framework that captures the full observed size distribution of dust aerosols, incorporating recent advances into a mineral-resolved version of the Community ESM, while addressing known issues in previous versions. Comprehensive evaluation against diverse observations of bulk dust and component minerals demonstrates that the model reproduces the observed dust cycle across particle sizes. Incorporating the previously unrepresented large-dust fractions substantially alters dust budget estimates, highlighting potential changes in simulated climate impacts and underscoring the importance of comprehensive size-resolved dust modeling. Despite these advancements, uncertainties persist. Our results indicate that a size-dependent reduction in settling velocity is required to reproduce the observed dust size distribution downwind of source regions. Specifically, in the new model, the gravitational settling velocity of dust particles larger than 10 μm in diameter must be reduced by as much as 85% to achieve agreement with observations. This empirical reduction serves as a constraint on physics-based models of dust settling. Future developments should address misrepresented physical processes that hinder accurate modeling of the large dust aerosol transport. Expanding observational data sets covering the full-size distribution is also essential to better constrain the dust cycle and improve the representation of dust optical properties and climate effects.

Li, Longlei [Cornell Univ., Ithaca, NY (United Sta↗

Optoelectronic polymer memristors with dynamic control for power-efficient in-sensor edge computing

Abstract As the demand for edge platforms in artificial intelligence increases, including mobile devices and security applications, the surge in data influx into edge devices often triggers interference and suboptimal decision-making. There is a pressing need for solutions emphasizing low power consumption and cost-effectiveness. In-sensor computing systems employing memristors face challenges in optimizing energy efficiency and streamlining manufacturing due to the necessity for multiple physical processing components. Here, we introduce low-power organic optoelectronic memristors with synergistic optical and mV-level electrical tunable operation for a dynamic “control-on-demand” architecture. Integrating signal sensing, featuring, and processing within the same memristors enables the realization of each in-sensor analogue reservoir computing module, and minimizes circuit integration complexity. The system achieves 97.15% fingerprint recognition accuracy while maintaining a minimal reservoir size and ultra-low energy consumption. Furthermore, we leverage wafer-scale solution techniques and flexible substrates for optimal memristor fabrication. By centralizing core functionalities on the same in-sensor platform, we propose a resilient and adaptable framework for energy-efficient and economical edge computing.

Optics↗

The possibility of hydrogen-water demixing in Uranus, Neptune, K2-18 b and TOI-270 d

Context. The internal structures of Uranus and Neptune remain unknown. In addition, sub-Neptunes are now thought to be the most common type of exoplanets. Improving our understanding of the physical processes that govern the interiors of such planets is therefore essential. Phase separation between planetary constituents may occur, in particular, hydrogen-water immiscibility in cold, water-rich intermediate-mass planets. Aims. We assess whether hydrogen-water demixing could occur in Uranus, Neptune, K2-18 b and TOI-270 d, and investigate its effect on the planetary evolution and inferred internal structure. Methods. We couple planetary evolution models with recent ab initio calculations of the hydrogen-water phase diagram, allowing for temperature shifts to account for uncertainties in miscibility gaps. Results. We find that demixing may occur and could lead to a complete depletion of water in the outermost regions of Uranus and Neptune. Temperature offsets of up to 1100 K lead to a depleted region comprising as much as 16% of the planet’s mass, and an increase in planetary radius by nearly 20%. For K2-18 b, our models suggest that hydrogen-water demixing is ongoing and may explain the absence of water features in its JWST spectrum. A temperature offset of 500 K is required to get a complete depletion of water in the atmosphere of K2-18b. TOI-270d may also have experienced hydrogen-water demixing. When applying a similar temperature offset on the phase diagram as for K2-18 b, we find a partial depletion of water in the atmosphere of TOI-270 d, consistent with JWST’s detection of water. Conclusions. Hydrogen-water immiscibility may play a key role in shaping the structure and evolution of both Solar System giant planets like Uranus and Neptune, and cold/temperate exoplanets such as K2-18 b and TOI-270 d. Accounting for such internal processes is crucial to accurately interpret atmospheric observations from current (e.g., JWST) and upcoming (e.g., ARIEL) missions.

planets and satellites: composition↗

Guidance for Developing Digital Twins for Online Condition Monitoring of Nuclear Power Plant Components

Online condition monitoring is an area of active research that may enable optimized scheduling, maintenance, and safety of nuclear power plant components, reducing unnecessary derates while simultaneously improving operational capacity. Digital twins (DTs) are one avenue to conduct online condition monitoring and are currently being explored by national laboratories and universities alike. DTs for online condition monitoring are, in essence, state concurrent models that emulate a physical process which predicts a parameter and compares it against a measured value. The promise of DT is that they may provide additional insights by combining and interpreting various sources of information and may be used for preventative maintenance scheduling optimization or early fault detection. DTs for condition monitoring are projected to be valuable for meeting requirements under 10 CFR 50.55a and 10 CFR 50.65. However, DT technologies are still under significant development and the process for developing a DT for condition monitoring has not been formalized. Therefore, in this work, we present an initial framework for developing a DT, discuss and review the various challenges and considerations for DT deployment, and identify the opportunities that a DT can improve. Here, the presented framework is intended to help developers formulate a strategy when approaching DT development for condition monitoring. A DT use case for a reactor coolant pump is presented to demonstrate the proposed framework.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

The Electron Spectro-Microscopy (ESM) Beamline at NSLS-II

Photoelectron spectroscopy is a primary tool for the study of the electronic structure of materials and the chemical composition of surfaces. High-resolution angle-resolved photoemission spectroscopy (ARPES) has the unique ability to map the energy bands in momentum space. Furthermore, going beyond the single particle picture, the self-energy corrections caused by correlations in solids can be extracted from the analysis of the emission line shape. The current level of refinement, in terms of energy and angular resolution (ΔE < 1 meV, Δθ < 0.1°), makes the technique sensitive to the lowest energy excitations and the dynamics of electrons, which in turn virtually determine all the macroscopic properties of any system and govern the chemical, electrical, magnetic, and physical processes. Similarly important, X-ray photoelectron microscopy (XPEEM), combined with the low-energy electron microscopy (LEEM), is indispensable in probing the complexity of chemical, structural, electronic and magnetic properties of surfaces and shallow interfaces, with the spatial resolution of few tens of nanometer (nm). The Electron-Spectro-Microscopy beamline (ESM) has been recently commissioned at NSLS-II and is now in operation. The primary spectroscopic technique is photoemission, performed over a wide energy range with control of light polarization and in a variety of flux/resolution conditions. The beamline has two experimental end stations that allow to perform ARPES and XPEEM/LEEM, separately. The ARPES end station focuses on high energy-resolution work, with spot-size of a few microns. The XPEEM/LEEM end station is a full-field microscope (XPEEM) operating either with the synchrotron generated X-rays (XPEEM), or with an internal electron gun (LEEM). Spatial resolution is crucial in studies of newly synthesized complex materials since they are often initially available only as small specimens (typically micron size). Furthermore, chemical inhomogeneities on surfaces are often an integral part of surface chemical processes. Finally, the ESM beamline with X-ray spots of few microns is optimized to study the electronic structure of novel materials with microscopy capabilities.

47 OTHER INSTRUMENTATION↗

Microfluidic cells for the 1–10 2 MPa pressure range

Thin membrane-delimited fluid cells supporting up to 1 at (0.1 MPa) of pressure are well known and commercially available for use in vacuum chambers of electron, photon, or various particle beam microscopies or spectroscopies. Hereby, we report on the development of fluid cells capable of working at 1–10 MPa, extending the analysis domain for investigating chemical, biochemical, or physical processes at pressures of interest in chemical synthesis, underwater biochemistry studies or underground geology. We explored ways to optimize cell membranes to better resist pressure beyond simply increasing the thickness or decreasing the size of the membranes, using finite element analysis and experimental validation via membrane bulging experiments and failure statistics. Fluid cell prototypes were fabricated using ∼75 nm-thick SiN x membranes, engineered to withstand 4.7 MPa (average value), compared to regular (un-engineered) membranes withstanding only 3.4 MPa (average value). The fluid cell prototypes include eight microchannels for feeding/evacuating the fluids and applying pressure into micro-reaction chambers, two electrodes for electrochemical or conduction measurements in the sample, and a possible pressure or temperature sensor, customizable for specific experiments.

hi-pressure↗

Performance of modern color decompositions for standard candle LHC tree amplitudes

In the last decade, developments of matrix element and phase space generators have focused on providing good efficiency and maximal flexibility and automation for a wide range of physical processes. However, as recent studies have shown, they are a major bottleneck in the established Monte Carlo event generator toolchains. With the advent of the HL-LHC and ever rising precision requirements, future developments will need to focus on computational performance, especially at intermediate to large jet multiplicities. We present the novel BlockGen family of fast matrix element algorithms that are amenable for GPU acceleration, making use of modern, minimal color decompositions. Moreover, we discuss the performance achieved for standard candle processes such as V +jets and tt̄+jets production.

Bothmann, E. [Gottingen U.]↗

Automating galaxy morphology classification using k -nearest neighbours and non-parametric statistics

ABSTRACT Morphology is a fundamental property of any galaxy population. It is a major indicator of the physical processes that drive galaxy evolution and in turn the evolution of the entire Universe. Historically, galaxy images were visually classified by trained experts. However, in the era of big data, more efficient techniques are required. In this work, we present a k-nearest neighbours based approach that utilizes non-parametric morphological quantities to classify galaxy morphology in Sloan Digital Sky Survey images. Most previous studies used only a handful of morphological parameters to identify galaxy types. In contrast, we explore 1023 morphological spaces (defined by up to 10 non-parametric statistics) to find the best combination of morphological parameters. Additionally, while most previous studies broadly classified galaxies into early types and late types or ellipticals, spirals, and irregular galaxies, we classify galaxies into 11 morphological types with an average accuracy of ${\sim} 80\!-\!90 \, {{\rm per\, cent}}$ per T-type. Our method is simple, easy to implement, and is robust to varying sizes and compositions of the training and test samples. Preliminary results on the performance of our technique on deeper images from the Hyper Suprime-Cam Subaru Strategic Survey reveal that an extension of our method to modern surveys with better imaging capabilities might be possible.

Mukundan, Kavya↗

XRISM spectroscopy on orbital modulation of Fe Ly α lines in Cygnus X-3

To understand physical processes such as mass transfer and binary evolution in X-ray binaries, the orbital parameters of the system are fundamental and crucial information. Cygnus X-3 is a high-mass X-ray binary composed of a compact object of unknown nature and a Wolf–Rayet star, which is of great interest in the context of wind-fed mass accretion and binary evolution. Here we present XRISM/Resolve high-resolution spectroscopy, focusing on the Fe Ly$\alpha$ lines when the source was in its hypersoft state. We perform an orbital phase-resolved spectral analysis of the lines to study the orbital modulation of the emission and absorption lines. It is found that the emission lines reflect the orbital motion of the compact object whose estimated velocity amplitude is $430^{+150}_{-140}$ km s$^{-1}$, while the absorption lines show a variation that can be interpreted as originating from the stellar wind. We discuss possible mass ranges for the binary components using the mass function with the estimated value of the velocity amplitude in this work, combined with the relation between the mass-loss rate and the orbital period derivative and the empirical mass and mass-loss rate relation for Galactic Wolf–Rayet stars. They are constrained to be (1.3–5.1) and (9.3–12) M$_\odot$, respectively, for the assumed inclination angle of $i =25^\circ$, and become more relaxed, (1.3–24) and (9.3–16) M$_\odot$, for $i = 35^\circ$. Thus, it remains unclear whether the system harbors a black hole or a neutron star.

X-rays: binaries↗

Statistical Uncertainty of Inhalation Dose Coefficients: Impact of Particle Deposition in ICRP 66 Human Respiratory Tract Model

Inhaled radioactive materials can pose a long-term health concern, as the material can be incorporated into the body’s metabolic pathways and remain in organs and tissues for extended durations. During the retention period, the radioactive material may localize in a source organ and irradiate adjacent target organs and tissues. Distribution of these materials changes over time, requiring biokinetic modeling to evaluate their movement through various tissues and organs. The evolving distribution depends on multiple inputs characterizing the inhaled material, such as particle size and size distribution, particle density, aspect ratio, specific radionuclide, the chemical form, and solubility. In addition, biological parameters such as breathing rate, breathing type (nasal or nasal/oral), respiratory system morphometry, tidal volume, functional residual capacity, and anatomical dead space all influence material transport. These aerosol properties and physiological characteristics of the respiratory tract jointly define a range of initial conditions that influence the time-dependent distribution of radioactive material. To evaluate both uncertainty in the initial conditions of inhalation exposure and the final output (committed effective dose) from biokinetic models, a Python-based software tool, Radiological Exposure Dose Calculator (REDCAL), was developed to propagate uncertainty within the human respiratory tract model. Focusing on deposition fraction uncertainty, the primary objective was to characterize the initial activity distribution across respiratory regions as a function of anticipated particle sizes and distributions. The impact of the deposition fraction uncertainty was propagated to committed effective dose coefficients for selected radionuclides in a companion publication. For each particle size, a lognormal distribution, characterized by its geometric mean as defined within ICRP Publication 66, serves as the basis for introducing uncertainty into the physical processes governing deposition in various lung regions. Finally, this study addresses the deposition process and examines how uncertainty in deposition mechanisms affects activity distribution in the airways, ultimately presenting the expected range and standard deviation of deposited activity as a function of particle size.

International Commission on Radiological Protectio↗

Conditional deep generative models for simultaneous simulation and reconstruction of entire events

We extend the particle-flow neural assisted simulations (arnassus) framework of fast simulation and reconstruction to entire collider events. In particular, we use two generative artificial intelligence tools, continuous normalizing flows and diffusion models, to create a set of reconstructed particle-flow objects conditioned on truth-level particles from CMS Open Simulations. While previous work focused on jets, our updated methods now can accommodate all particle-flow objects in an event along with particle-level attributes like particle type and production vertex coordinates. This approach is fully automated, entirely written in Python, and GPU-compatible. Using a variety of physics processes at the LHC, we show that the extended arnassus is able to generalize beyond the training dataset and outperforms the standard, public tool elphes.

Dreyer, Etienne [Weizmann Institute of Science, Re↗