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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 181 records · Page 10

An atomic cluster expansion potential for twisted multilayer graphene

Twisted multilayer graphene, characterized by its moiré patterns arising from inter-layer rotational misalignment, serves as a rich platform for exploring quantum phenomena. Machine learning interatomic potentials (MLIPs) are a promising approach to model such systems. Our work develops a method to generate training and test datasets for fitting MLIPs that capture all possible misalignments but remain small-scale to facilitate efficient data generation and parameter estimation. To achieve this, we generate configurations with periodic boundary conditions suitable for density functional theory calculations, and then introduce an internal twist and shift within those supercell structures. Using this technique, supplemented with an active learning workflow, we fit an Atomic Cluster Expansion potential for simulating twisted multilayer graphene and test it for accuracy and robustness on a range of simulation tasks.

2D materials↗

Optimizing infrasound observations for sample return capsule re-entry: Insights from OSIRIS-REx and Hayabusa2

The atmospheric entry of meteoroids presents a rare and unpredictable phenomenon, posing challenges for systematic observation and detailed characterization. Such events are nonetheless critical for advancing understanding of acoustic wave propagation, atmospheric structure, and entry dynamics. In contrast, sample return capsules (SRCs) from space missions follow well constrained re-entry trajectories, enabling planned observations of shock wave generation and propagation under controlled conditions. This study compares two SRC atmospheric entries, Hayabusa2 in 2020 and OSIRIS-REx in 2023, to assess how different infrasound array configurations influence shock wave detection and trajectory validation. Hayabusa2’s re-entry was monitored using a distributed network of 28 portable infrasound sensors across seven arrays in Woomera, Australia, permitting three-dimensional reconstruction of the trajectory and analysis of wave characteristics. For OSIRIS-REx, a compact four-sensor array deployed near Eureka Airport provided trajectory confirmation through arrival-time differences and back-azimuth estimates. Spectral and waveform analyses revealed differences in signal properties associated with variations in entry angle and velocity. The results illustrate both the strengths and the limitations of the deployed array configurations. The dense and distributed arrays during Hayabusa2’s re-entry enabled detailed trajectory reconstruction, whereas the compact array at Eureka primarily provided confirmation of signal coherence and back-azimuth consistency. These case studies highlight that even relatively small arrays, if located close to the predicted ground track, can still capture useful information on arrival direction and timing. Such insights provide practical guidance for planning future observational campaigns of SRC returns and other controlled atmospheric entries, and may also inform approaches to opportunistic observations of meteoroid events and other atmospheric acoustic phenomena.

celestial mechanics: orbit determination↗

Moving beyond the Aerosol Climatology of WRF-Solar: A Case Study over the North China Plain

Numerical weather prediction (NWP), when accessible, is a crucial input to short-term solar power forecasting. WRF-Solar, the first NWP model specifically designed for solar energy applications, has shown promising predictive capability. Nevertheless, few attempts have been made to investigate its performance under high aerosol loading, which attenuates incoming radiation significantly. The North China Plain is a polluted region due to industrialization, which constitutes a proper testbed for such investigation. Here, in this paper, aerosol direct radiative effect (DRE) on three surface shortwave radiation components (i.e., global, beam, and diffuse) during five heavy pollution episodes is studied within the WRF-Solar framework. Results show that WRF-Solar overestimates instantaneous beam radiation up to 795.3 W m -2 when the aerosol DRE is not considered. Although such overestimation can be partially offset by an underestimation of the diffuse radiation of about 194.5 W m -2 , the overestimation of the global radiation still reaches 160.2 W m -2 . This undesirable bias can be reduced when WRF-Solar is powered by Copernicus Atmosphere Monitoring Service (CAMS) aerosol forecasts, which then translates to accuracy improvements in photovoltaic (PV) power forecasts. This work also compares the forecast performance of the CAMS-powered WRF-Solar with that of the European Centre for Medium-Range Weather Forecasts model. Under high aerosol loading conditions, the irradiance forecast accuracy generated by WRF-Solar increased by 53.2% and the PV power forecast accuracy increased by 6.8%.

54 ENVIRONMENTAL SCIENCES↗

Discovery of genes that positively affect biomass and stress associated traits in poplar

Woody biomass serves as a renewable resource for various industries, including pulp and paper production, construction, biofuels, and electricity generation. However, the molecular mechanisms behind biomass traits are poorly understood, which significantly curtails the speed and efficiency of their improvement. We used activation tagging to discover genes that can positively affect tree biomass-associated traits. We generated and screened under greenhouse conditions a population of 2,700 independent activation tagging lines. A total of 761 lines, which had significantly and positively affected at least one biomass-associated trait, were discovered. The tag was positioned in the genome for forty lines which were affected in multiple traits and activation of proximal genes validated for a subset. For two lines we fully recapitulated the phenotype of the original lines through overexpression. Moreover, the overexpression led to more pronounced and additional improvements, not observed in the original lines. Importantly, the overexpression of a Fasciclin-like gene (PtaFLA10) and a Patatin-like gene (PtaPAT) was found to substantially improve biomass, with a 40% increase in dry-stem weight, and enhance drought tolerance, respectively. Additionally, PtaPAT overexpression increased cellulose content, which is crucial for biofuel production. Our work shows that the activation tagging approach applied even on a non-genome saturation scale in a poplar tree can be successfully used for the discovery of genes positively modify biomass productivity. Such dominant forward genetics approaches can aid in biotechnological manipulation of woody biomass traits and help unravel the functions and mechanisms of individual genes, gene families, and regulatory modules.

Plant Sciences↗

Aircraft-derived particle fluxes distinguish entrainment zone and decoupled layer nucleation in marine boundary layers

The vertical distribution of freshly nucleated aerosol particles in the marine boundary layer remains poorly constrained, limiting our ability to represent new particle formation in climate models. Here we characterize 3–10 nm particle events, termed small particle events (SPEs), by deriving their vertical turbulent fluxes from aircraft measurements during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign. To overcome stationarity limitations of traditional eddy covariance methods, we applied continuous wavelet transform analysis to data collected during June–July 2017 and January–February 2018 flights over the Azores. Our flux-based analysis revealed two distinct SPE scenarios with different vertical structures and spatial extents. The first featured nucleation in the entrainment zone, where free tropospheric air entrains into the boundary layer. The second showed nucleation in the decoupled layer, a stratified region between the well-mixed surface layer and cloud-topped upper boundary layer. In both cases, convergence of air masses from different layers diluted preexisting aerosol surface area to very low levels, creating conditions favorable for nucleation and generating strong downward particle fluxes. SPEs occurred in 15 % of flights, challenging prevailing theoretical expectations that new particle formation should rarely occur in marine boundary layers due to high condensation and coagulation sink capacity of sea spray aerosols. Aircraft-derived particle fluxes provide first observational constraints on the vertical location and source strength of likely nucleation regions in the remote marine boundary layer, improving aerosol source representations in climate models and reducing uncertainties in aerosol-cloud interactions.

Rasheeda Satheesh, Ajmal [North Carolina State Uni↗

Evaluation of a high-resolution regional climate simulation for surface and hub-height wind climatology over North America

Assessing the availability of key wind resources requires augmenting observations to support the implementation of wind energy infrastructure. However, observations are limited, necessitating the development of high-resolution, long-term gridded datasets. This study presents a robust, dynamically downscaled climatological dataset, offering 20 years of hourly wind data at a 4 km spatial resolution across North America, and evaluates its performance against observations, including meteorological towers and automated surface-observing system (ASOS) stations, as well as coarse-resolution reanalysis data (the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis version 5 (ERA5)). Results demonstrate that the downscaled high-resolution wind data outperform ERA5 in regions of complex terrain and coastal areas, with improved overlap coefficients for wind data distributions and reduced root mean square errors (RMSEs) for hub-height and near-surface diurnal wind patterns. The downscaled simulation also captures the synoptic drivers of seasonal wind direction patterns reasonably well, indicated by high wind rose similarity indices. This study also provides an analysis of interannual variability, utilizing the dataset's full 20-year period, and model uncertainty, generated by varying model initial conditions and physics parameterizations across 1-year ensemble members, which are key considerations for wind resource assessment in wind farm development.

17 WIND ENERGY↗

Phased array-based nonlinear wave mixing technique: Application to lack-of-fusion porosity characterization in additively manufactured metals

The objective of this research is to demonstrate the effectiveness of a phased array-based nonlinear wave mixing technique to characterize internal, localized microscale damage in an additively manufactured (AM) component. By using phased arrays for the generation of the incident waves, it is possible to produce a nonlinear wave mixing scanning technique without the need for immersion or changing coupling conditions. The phased arrays can be configured to generate incident waves in multiple directions that meet the resonance conditions required for nonlinear wave mixing at a variety of internal locations. This allows for the scanning of a specimen without the removal and re-coupling of the source transducers, leading to greater scanning speed and repeatability. To demonstrate the accuracy of this phased array wave mixing approach, measurements of acoustic nonlinearity in an AM component are first made with a bulk wave second harmonic generation through thickness measurement. Next, nonlinear wave mixing measurements are made with single element transducers to confirm the sensitivity of the proposed nonlinear wave mixing approach to lack-of-fusion porosity in AM metals. Finally, phased arrays are used to highlight the effectiveness of the proposed nonlinear wave mixing technique in these same AM components.

Acoustics↗

Low responsiveness of machine learning models to critical or deteriorating health conditions

Machine learning (ML) based mortality prediction models can be immensely useful in intensive care units. Such a model should generate warnings to alert physicians when a patient’s condition rapidly deteriorates, or their vitals are in highly abnormal ranges. Before clinical deployment, it is important to comprehensively assess a model’s ability to recognize critical patient conditions. We develop multiple medical ML testing approaches, including a gradient ascent method and neural activation map. We systematically assess these machine learning models’ ability to respond to serious medical conditions using additional test cases, some of which are time series. Guided by medical doctors, our evaluation involves multiple machine learning models, resampling techniques, and four datasets for two clinical prediction tasks. We identify serious deficiencies in the models’ responsiveness, with the models being unable to recognize severely impaired medical conditions or rapidly deteriorating health. For in-hospital mortality prediction, the models tested using our synthesized cases fail to recognize 66% of the injuries. In some instances, the models fail to generate adequate mortality risk scores for all test cases. Our study identifies similar kinds of deficiencies in the responsiveness of 5-year breast and lung cancer prediction models. Using generated test cases, we find that statistical machine-learning models trained solely from patient data are grossly insufficient and have many dangerous blind spots. Most of the ML models tested fail to respond adequately to critically ill patients. How to incorporate medical knowledge into clinical machine learning models is an important future research direction.

60 APPLIED LIFE SCIENCES↗

Pivotal role of organic adsorbates for the creation of catalytic sites during dry reforming of methane

Inadvertent factors can sometimes be crucial for synthesis of catalysts. The use of polyalcohols is common in the synthesis of heterogeneous catalysts. Interactions between alcohols and heterogeneous catalysts have been shown to induce surface reconstructions that greatly impact catalytic performance. Thus, traces of these alcohol functionalities on the as-synthesized catalysts, combined with heat treatment, could be critical in the generation of catalytic sites. Here, we show that during the synthesis of a Ni–Mo/MgO catalyst using a polyol process, residual ethylene glycol (EG) on the surface plays a significant role in the generation of catalytic sites for dry reforming of methane (DRM). The as-synthesized catalyst presents dispersed cationic Ni. Under DRM reaction conditions, the presence of EG, and H2 generated in situ, promote the generation of co-localized Ni–Mo nanoparticles (NPs). Greater amount of EG in the as-synthesized catalyst prevented sintering, leading to better catalyst stability and higher rates. If the residual EG remaining post-synthesis is removed through calcination, before conducting DRM, NiO NPs are formed and the material is completely inactive for catalyzing the reaction. When using a different support, denoted MgO*, EG also proved indispensable to generate active sites, although Ni–Mo co-localization was not evident, and a combination of DRM-related species was needed to activate the catalyst, not just H2. This work systematically uncovers how the interactions between organic adsorbates, the supported metals and the catalyst support dictate the creation of catalytic active sites.

Polo Garzon, Felipe [ORNL] (ORCID:0000000265076183↗

A Platform for Ultra-Fast Proton Probing of Matter in Extreme Conditions

Recent developments in ultrashort and intense laser systems have enabled the generation of short and brilliant proton sources, which are valuable for studying plasmas under extreme conditions in high-energy-density physics. However, developing sensors for the energy selection, focusing, transport, and detection of these sources remains challenging. This work presents a novel and simple design for an isochronous magnetic selector capable of angular and energy selection of proton sources, significantly reducing temporal spread compared to the current state of the art. The isochronous selector separates the beam based on ion energy, making it a potential component in new energy spectrum sensors for ions. Analytical estimations and Monte Carlo simulations validate the proposed configuration. Due to its low temporal spread, this selector is also useful for studying extreme states of matter, such as proton stopping power in warm dense matter, where short plasma stagnation time (<100 ps) is a critical factor. The proposed selector can also be employed at higher proton energies, achieving final time spreads of a few picoseconds. This has important implications for sensing technologies in the study of coherent energy deposition in biology and medical physics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Generative AI for Wind-Wave Inflows

Extreme wind-wave conditions can create dangerous or damaging environmental conditions for sea-based structures and watercrafts. However, the model of consistent, coupled wind-wave flow conditions is computational expensive, even for simple flow scenarios. This work examines the use of diffusion-based generative artificial intelligence tools to accelerate the generation of these two-phase flows and to characterize probabilities of various states to help with the generation of extreme patterns.

17 WIND ENERGY↗

The influence of laser focusing conditions on the direct laser acceleration of electrons

Direct laser acceleration of electrons during a high-energy, picosecond laser interaction with an underdense plasma has been demonstrated to be substantially enhanced by controlling the laser focusing geometry. Experiments using the OMEGA EP facility measured electrons accelerated to maximum energies exceeding 120 times the ponderomotive energy under certain laser focusing, pulse energy, and plasma density conditions. Two-dimensional particle-in-cell simulations show that the laser focusing conditions alter the laser field evolution, channel fields generation, and electron oscillation, all of which contribute to the final electron energies. The optimal laser focusing condition occurs when the transverse oscillation amplitude of the accelerated electron in the channel fields matches the laser beam width, resulting in efficient energy gain. Through this observation, a simple model was developed to calculate the optimal laser focal spot size in more general conditions and is validated by experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Energy-Optimal Vehicle Longitudinal Motion Control via Pontryagin’s Minimum Principle and Ultra-Local Model

Longitudinal vehicle motion control is essential for enhancing performance and optimizing a vehicle’s energy usage. However, it remains a challenging task due to the nonlinear and uncertain nature of vehicle dynamics, along with varying driving conditions. This paper presents a novel ultra-local optimal control approach based on Pontryagin’s Minimum Principle (PMP) that circumvents the need for detailed system identification by employing an ultra-local model. The control objective is to minimize the total energy consumption under boundary conditions while ensuring smooth traction force generation. The proposed approach is evaluated using a high-fidelity vehicle model in three representative scenarios: (i) nominal driving, (ii) a change in tire road friction coefficient (TRFC) from 0.5 to 0.65 and road slope from 0% to 5% during the maneuver, with target velocity unchanged, and (iii) a change in target velocity from 20 m/s to 0 m/s during the maneuver, while maintaining nominal TRFC and slope conditions. The simulation results demonstrate that the proposed method delivers robust performance, effectively balancing consumption and tracking accuracy in all tested scenarios.

Waleed khan, Muhammad [The University of Texas at ↗

Assessment of CTF for Steady-state and Transient Post-CHF Conditions in Support of Time-at-Temperature Modeling Applications

The US nuclear industry is exploring options to improve operational economics and uprate the current fleet of light-water reactors by investigating transitioning to cladding performance–based safety criteria as opposed to the current limit, which requires complete avoidance of critical heat flux (CHF)/dryout. Past experience has shown that not all events leading to a dryout are severe enough to cause fuel performance degradation. Allowing temporary dryout of the fuel—that is, using a time-at-temperature (TaT) strategy—could allow for economic improvements via large power uprates and enhanced operational flexibility for current plants without compromising fuel integrity. To support this effort, the US Department of Energy is executing a comprehensive program that includes generating cladding material data under TaT conditions, developing new mechanistic models, and demonstrating modeling and simulation capabilities for transients of interest. This paper presents work performed to assess the CTF thermal-hydraulics subchannel code. CTF is a package used in the VERA core simulator, which will ultimately be used for TaT analysis. CTF will provide the thermal-hydraulic boundary conditions that will be needed for fuel performance analysis in the BISON code. Quantifying both the accuracy and uncertainty of post-CHF models will therefore be necessary. This paper outlines the strategy for the assessment of TaT and presents the results of using the steady-state and transient dryout experiments of the Boiling Fine-mesh Bundle Tests for CTF validation. The results show that the current model tends to overpredict steady-state critical power. This behavior translates to the transient tests, in which CTF is unable to capture transient dryout behavior. Some discussion of sensitivity analysis work being performed is provided to indicate which models must be further analyzed to properly model transient dryout and its uncertainty.

Salko Jr, Robert [ORNL] (ORCID:0000000253566679)↗

Measurements of extended magnetic fields in laser-solid interaction

Magnetic fields generated from a laser-foil interaction are measured with high fidelity using a proton radiography scheme with x-ray fiducials. In contrast to prior findings under similar experimental conditions, this technique reveals the self-generated, Biermann-battery fields extend beyond the edge of the expanding plasma plume to a radius of over 3.5 mm by t = + 1.4 ns. An analysis of two monoenergetic proton populations confirms that proton deflection is dominated by magnetic fields far from the interaction ( > 2 mm) and electric fields are insignificant. The results are not captured in state-of-the-art magnetohydrodynamics simulations and suggest the need to consider additional physics mechanisms for the magnetic field generation and transport in laser-solid interactions. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Statorless mixed flow turbine for transonic pulsating inflow

Effective harvesting of power from high speed highly transient inflows such as the outflow of rotating detonation combustors (RDCs) is key to achieving their promised cycle efficiency step jump. To increase power density and efficiency simultaneously, a concept that can directly ingest transonic outflow, addressing the choking is needed, i.e. without additional transition elements. A new statorless design was assessed using a comprehensive approach to quantify all contributions to loss generation in transient flows, locally and globally. The turbine rotor was designed under steady flow conditions with a genetic algorithm. The comparison of power and loss generation between steady and unsteady flow results shows that a design methodology under steady-state conditions is suitable to characterize the performance of different designs. Three design families were further assessed under highly transient transonic conditions including traveling shock waves with a relative total pressure amplitude of 149.6% around the mean value and inflow angle variations from -26.5 deg to +51.8 deg. The oblique shock impinging on the pressure side (PS) of the turbine augments the shaft power extraction. When the oblique shock reflects between the pressure side and suction side (SS), its strength diminishes. This paper provides design guidelines on efficient turbine work extraction from the shocks emanating from detonation combustors.

rotating detonation engines↗

Maximized Information Gain of Next Generation Pulsed Power Using Optimized Design of Z-Machine Experiments

This project develops a Bayesian optimization approach to extracting insights from Z Machine experimental data to determine if and how these insights can be used to extrapolate to a larger facility. The primary goal is to address the scientific challenge of informing how confidently experimental conditions can be predicted on a next generation facility, the design of which requires the reliable extrapolation of current high energy density technologies to regimes yet unobserved, except by costly high-fidelity computational models. Maximizing the use of presently available data and understanding how it informs future endeavors is critically important to enable transformative pulsed power and the science of extreme conditions. We explore a Bayesian optimization approach to experimental design which combines information theory, experimental data, and computational modeling to explore how information gain can be maximized.

97 MATHEMATICS AND COMPUTING↗