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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 505 records · Page 28

ClimGen: Learning the Forcing-Response Relationship in Climate System

Solar Radiation Management (SRM) is emerging as a potential geoengineering strategy to address the anthropogenic impact on climate, but its effective implementation requires an iterative and large ensemble of highly accurate and efficient climate projections. Traditional climate projections rely on executing computationally demanding and time-consuming numerical climate models. Recent advances in machine learning (ML) aim to enhance these approaches by emulating traditional methods. In this work, we propose a novel framework for directly learning the relationship between solar radiation flux at the top of the atmosphere and the corresponding surface temperature response. To evaluate the feasibility of this direct ML-based projection, we developed a dataset using an intermediate complexity model, incorporating a comprehensive suite of different forcing patterns and evaluation metrics to rigorously assess the ML model’s performance. We introduce a Conditional Denoising Diffusion Probabilistic Model (cDDPM) for this task, which demonstrates encouraging skill in representing climate statistics under previously unseen forcing patterns. This approach provides a promising pathway for direct climate projections by accurately learning the forcing-response relationship, with a wide range of applications in impact mitigation, emissions policy design, and SRM strategies.

Chen, Tse-Chun [BATTELLE (PACIFIC NW LAB)] (ORCID:↗

Detection of Hole Pockets in the Candidate Type-II Weyl Semimetal MoTe 2 from Shubnikov-de Haas Quantum Oscillations

We report the bulk electronic structure of T d -MoTe 2 features large hole Fermi pockets at the Brillouin zone center (Γ) and two electron Fermi surfaces along the Γ-X direction. However, the large hole pockets, whose existence has important implications for the Weyl physics of T d -MoTe 2 , has never been conclusively detected in quantum oscillations. This raises doubt about the realizability of Majorana states in T d -MoTe 2 , because these exotic states rely on the existence of Weyl points, which originated from the same band structure predicted by density functional theory (DFT). Here, we report an unambiguous detection of these elusive hole pockets via Shubnikov–de Haas (SdH) quantum oscillations. At ambient pressure, the quantum oscillation frequencies for these pockets are 988 and 1513 T, when the magnetic field is applied along the c axis. The quasiparticle effective masses m* associated with these frequencies are 1.50 and 2.77 m e , respectively, indicating the importance of Coulomb interactions in this system. We further measure the SdH oscillations under pressure. At 13 kbar, we detected a peak at 1798 T with m* = 2.86 m e . Relative to the oscillation data at a lower pressure, the amplitude of this peak experienced an enhancement, which can be attributed to the reduced curvature of the hole pockets under pressure. Combining our experimental data with DFT +U calculations, where U is the Hubbard parameter, our results shed light on why these important hole pockets have not been detected until now.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impingement panel for a turbomachine

An integrated combustor nozzle includes a combustion liner that extends radially between an inner liner segment and an outer liner segment. The combustion liner includes a forward end portion, an aft end portion, a first side wall, and a second side wall. The aft end portion of the combustion liner defines a turbine nozzle. The integrated combustor nozzle further includes an impingement panel having an impingement plate disposed along an exterior surface of one of the inner liner segment or the outer liner segment. The impingement plate defines a plurality of impingement holes that direct coolant in discrete jets towards the exterior surface of the inner liner segment or the outer liner segment. The impingement panel is radially spaced from the exterior surface to form a cooling flow gap therebetween. The impingement panel includes a collection duct that extends from the impingement panel and defines a collection passage.

Berry, Jonathan Dwight↗

Integration of a physics-based direct normal irradiance ($\mathrm{DNI}$) model to enhance the National Solar Radiation Database ($\mathrm{NSRDB}$)

The National Solar Radiation Database (NSRDB) is an extensively used dataset that furnishes satellite-retrieved solar resource data across the United States and an expanding list of other countries. Although the NSRDB uses a physical model to compute global horizontal irradiance (GHI), it currently employs an empirical approach based on surface observations to estimate cloudy-sky direct normal irradiance (DNI). Recently, a new physics-based approach, known as the Fast All-sky Radiation Model for Solar applications with DNI (FARMS-DNI), was developed to improve DNI forecasting. FARMS-DNI integrates direct and scattered solar radiances within the circumsolar region, resulting in improved day-ahead forecasting of DNI by incorporating it into the Weather Research and Forecasting model with Solar extensions (WRF-Solar). This study incorporates FARMS-DNI into the NSRDB algorithm to produce high-spatiotemporal-resolution DNI data from satellite data. The accuracy of the NSRDB based on FARMS-DNI is analyzed using surface observations from 19 sites situated within the National Oceanic and Atmospheric Administration (NOAA) Surface Radiation Budget (SURFRAD) and Solar Radiation (SOLRAD) networks, the University of Oregon (UO) network, the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) network, and at the National Renewable Energy Laboratory (NREL). The results demonstrate that FARMS-DNI reduces the significant overestimation of DNI in the conventional NSRDB at all surface sites, particularly in cloud overcast conditions classified using both satellite retrievals and surface observations. Consequently, this new model can effectively improve the overall accuracy of the NSRDB. The results also suggest that further improvement of DNI estimates at individual time steps, however, requires advanced satellite techniques and precise identification of clouds and retrieval of cloud properties.

14 SOLAR ENERGY↗

Unidirectional growth of graphene nano-islands from carbon cluster seeds on Ge(1 1 0)

The anisotropic twofold symmetry of Ge(1 1 0) makes it a unique substrate for the growth of single-crystalline graphene. However, the underlying mechanism during the initial stage of growth of graphene on Ge(1 1 0) surface is not well understood. Here, we use in-situ cryogenic scanning tunneling microscopy (STM) and spectroscopy (STS), to study the initial growth properties of graphene synthesized on Ge(1 1 0) surface with ethylene precursor gases. The STM results reveal that the unidirectional growth of the graphene nanoribbons (GNRs) initiates from carbon cluster seeds on terraces during the early stage of the growth. The orientations of the GNRs show the same directions which are nearly parallel to the direction of the Ge(1 1 0) surface. This orientation is the same as that of the wafer-scale graphene grown on Ge(1 1 0). Subsequent growth, transformed the GNRs to graphene nanoislands (GNIs), which eventually coalesced to form single crystalline monolayer graphene. STS measurements demonstrated that the GNRs have small bandgaps induced by the confinement effect of graphene. Furthermore, this study provides an in-depth understanding of the growth mechanism of graphene on Ge(1 1 0) surface in various synthesis conditions.

36 MATERIALS SCIENCE↗

Heterogeneous Multilayer Nanopores via Chemically Tuned Dielectric Breakdown for Single‐Molecule Sensing

Solid-state nanopores are powerful platforms for single-molecule sensing, yet their performance is often constrained by fabrication complexity, noise, and limited control over surface properties. Here we report a direct method to fabricate heterogeneous multilayer nanopores using chemically tuned controlled dielectric breakdown (CT-CDB). We integrate hBN, MoS 2 , or graphene atop a silicon nitride membrane to form five distinct bilayer and tri-layer architectures, with bare SiN x nanopore as a control. CT-CDB achieves pore formation reproducibly through material-stacks with high efficiency, good pore size control, and strong yield, validated by various characterizations. Transferrin protein translocation experiments, supported by simulations, reveal that multilayer configurations modulate protein conformations, ionic current blockade and dwell time distributions, reflecting combined effects of membrane type, interfacial chemistry, and local electric field gradients. A supervised machine learning framework is implemented to assist identifying multilayer structure effects embedded in signal signatures, with over 96% accuracy. This work presents a modular and scalable framework for functional nanopore engineering with complex structural integration, thereby expanding the potential of 2D materials in single-molecule sensing applications.

2D materials↗

Potential impacts of climate change on wind and solar electricity generation in Texas

Wind and solar energy sources are climate and weather dependent, therefore susceptible to a changing climate. in this paper, we quantify the impacts of climate change on wind and solar electricity generation under high concentrations of greenhouse gases in Texas. We employ mid-twenty-first century climate projections and a high-resolution numerical weather prediction model to generate weather variables in the future and produce wind and solar generation time series. We find that mid-twenty-first century projections based on five global climate models agree on the multiyear average increases across Texas in direct normal irradiance, global horizontal irradiance, surface air temperature, and 100-m wind speed of up to 5%, 4%, 10%, and 1%, respectively. These changes lead to multiyear average relative changes across Texas of -0.6 to + 2.5% and of + 1.3 to + 3.5% in solar and wind capacity factors, respectively, with significant regional, seasonal, and diurnal differences. Areas with low solar resource show an increase in solar capacity factors but reductions in wind capacity factors. Areas with high solar resource show reductions in solar capacity factors. The spatial and temporal differences in our results highlight the importance of using high-resolution data sets to study the potential impacts of climate change on wind and solar power.

14 SOLAR ENERGY↗

Probing the Mechanical Performance of Micro-architected Porous Structures Through In Situ Characterization and Analysis

Micropores play critical roles in both natural and man-made materials. Such pores take on a variety of shapes and sizes ranging from spherical to irregular sphere-like voids with diameters spanning from the nanometer to millimeter scales. When porous structures are mechanically loaded, the pores direct the stress around their free surfaces, altering the material’s mechanical response relative to fully dense materials. In this study, for the first time, we create micro-architected porous samples using nanolithography and investigate the role of pore morphology by conducting a series of in situ micropillar compression tests in scanning electron microscopy. The findings demonstrate that porosity is the primary factor influencing the mechanical response of these micro-architected materials, as often seen on a macroscopic level. Additionally, we observed that pore geometry had a significant impact on Young’s modulus, yield stress, and strain energy density as a secondary parameter. Then, the extracted Young’s modulus was compared to macroscopic empirical models and determined the analytical models sufficiently described the impact of porosity in the microscopic scale but failed to capture the impact of second-order parameters. Furthermore, these results suggest how porous materials can be tailored to achieve desired mechanical properties based on the engineering applications of interest.

36 MATERIALS SCIENCE↗

Crystallographic and temperature effects in low-energy collisions for plasma–material interactions

The interaction of plasma with materials is critical for the fundamental understanding of non-equilibrium processes and their wide application. Recent achievements in fusion energy research emphasize the importance of this problem. Because modelling and predicting plasma–material interactions (PMI) require considering a tremendous number of single plasma particle–surface interaction events, this type of modelling was, until recently, possible only within a binary collision approximation (BCA). The BCA approach considers materials as uniform temperature-insensitive media. The research presented here addresses the PMI problem within an atomistic-based approach for the first time at a statistically significant level. Approximately 10 5 molecular dynamics trajectories were generated for 100 eV deuterium ions interacting with a tungsten surface. The research demonstrated the critical importance of incorporating the discrete lattice structure of matter into the model. Deuterium penetration depth and fraction of backscattered deuterium ions strongly depend on the surface orientation, the impact incident ion directions, and the ions’ initial positions. On average, the BCA-based calculations underestimate the penetration depth by a factor of two or more, and the fraction of backscattered atoms is overestimated by a factor of two or more. As a result, increasing the material temperature from 500 to 3000 K reduces penetration depth by about 30% and increases the fraction of backscattered atoms by 250%.

36 MATERIALS SCIENCE↗

Metal DiSulfide thin films synthesized by pulsed ion beam ablation: Self-assembled structures with improved mechanical properties in humid conditions

Thin films composed of transition metal dichalcogenides such as molybdenum disulfide (MoS 2 ) or tungsten disulfide (WS 2 ) are well known for their solid lubricating behavior in dry environments such as space, but deteriorate rapidly in environments where oxygen is present. There have been many attempts over recent decades to improve MoS 2 lubricating performance in humid environments by addition of metals such as titanium to the film. The additions have come in the form of co-sputtering with the MoS 2 , or formation of nano multilayer coatings. We have previously reported on the synthesis of MoS 2 films by high-power ion beam ablation [Prasad et al, Matls. Lett. 65 (2010) 4–6]. The resulting films are observed to contain spheres of pure Mo of 10–100 nm size evenly dispersed throughout the ~1 μm-thick film, a form of self-assembly not before seen in films produced by sputtering or by pulsed laser deposition (PLD). The remaining Mosingle bondS matrix was observed to crystalize in situ under frictional contact into MoS 2 with the basal planes orienting themselves in the direction of sliding underneath the wear surface. The present study concerns metal additions in the form of alternating layers with MoS 2 deposited in between from an ablation target. The addition of Ti resulted in the extension of good tribological performance to humid air conditions, but the path to good performance appears to be relatively narrow. The same distributed Mo spheres were present in the new film, and similar self-assembled morphologies when V was substituted for the Ti, and when multilayers were formed of WS 2 with Zr additions. Furthermore, it appears that addition of Ti resulted in improvements in mechanical film strength that contributed to the wear ability in humid conditions.

Intense ion beams↗

Energy alignment manipulation at the C 60 /TiO 2 (110) interface using a blanket molecular dipole approach

In this work, modifying the energy alignment between the frontier levels of a chromophore and the band edges of a semiconductor substrate using a “blanket layer” of molecular dipoles is explored. The electronic structure, measured with ultraviolet and x-ray photoemission spectroscopy, of C 60 deposited directly onto the TiO 2 (110) surface is compared with that of C 60 deposited onto the surface covered by a blanket layer of the custom-designed helical peptide Z-(Aib) 6 -Ipa, which has a large dipole moment of 18.6 D oriented along its molecular axis and pointing toward the substrate. The C 60 HOMO level is shifted 600 meV to deeper binding energy in the presence of the blanket layer, in good agreement with what is expected from a simple parallel plate capacitor model. These results demonstrate a simple and versatile strategy for controlling energy level alignment at organic/inorganic interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stimulated Raman Scattering Microscopy: Real-Time In-Situ Physical and Chemical Characterization of Reverse Osmosis Desalination Membrane Scaling

We introduce a stimulated Raman scattering (SRS) methodology designed for rapid, real-time, and in situ monitoring of RO membrane scaling adapted for bench-scale desalination flow cells. The methodology can provide new insights into membrane scaling dynamics by offering time-resolved reflection imaging of inorganic crystal growth, coupled with chemical identification from Raman spectral data. These capabilities allow for direct local measurement of the membrane surface area covered by different scalants as well as an approximation of the scalant volume using three-dimensional, integrated Raman intensity. The 2D and 3D SRS results obtained from CaSO 4 scaling experiments are compared to and are in reasonable agreement with those provided by confocal microscopy. The real-time physical and chemical characterization capabilities presented here could be extended to study combinations of inorganic, organic, and biological fouling. Overall, the SRS methodology represents an advancement in real-time sensing of membrane fouling that offers the potential for improved operation, lower cost, and more resilient RO membrane systems for sustainable water management.

42 ENGINEERING↗

Role of Polysulfide Anions in Solid-Electrolyte Interphase Formation at the Lithium Metal Surface in Li–S Batteries

Delineating intricate interactions between highly reactive Li-metal electrodes and the diverse constituents of battery electrolytes has been a long-standing scientific challenge in materials design for advanced energy storage devices. Here, we isolated lithium polysulfide anions (LiS 4 - ) from an electrolyte solution based on their mass-to-charge ratio and deposited them on Li-metal electrodes under clean vacuum conditions using ion soft landing (ISL), a highly controlled interface preparation technique. The molecular level precision in the construction of these model interfaces with ISL, coupled with in situ x-ray photoelectron spectroscopy and ab initio theoretical calculations, allowed us to obtain unprecedented insight into the parasitic reactions of well-defined polysulfides on Li-metal electrodes. Our study reveals that the oxide-rich surface layer, which is amenable to direct electron exchange, drives multielectron sulfur oxidation (S o → S 6+ ) processes. Furthermore, our results have substantial implications for the rational design of future Li-S batteries with improved efficiency and durability.

25 ENERGY STORAGE↗

Atomic Origin of the Autocatalytic Reduction of Monoclinic CuO in a Hydrogen Atmosphere

Reducibility is key for the use of bulk metal oxides in chemical transformation involving redox reactions but probing microscopic processes of oxide reduction is challenging. This is because the insulating nature of bulk oxides restricts ion and electron spectroscopic measurements of oxide surfaces. Herein, using a combination of environmental transmission electron microscopy and atomistic modeling, we report direct in-situ atomic-scale observations of the surface and subsurface dynamics and show that the hydrogen induced CuO reduction occurs via the surface decay of Cu-O/Cu bilayer atomic steps, formation of partially reduced CuO superstructure by the self-ordering of O vacancies in the subsurface, and collapse of Cu-O layers in the bulk. In this work, all these substeps can be traced back to the progressively increased concentration and activity of O vacancies in the surface and subsurface of the oxide, thereby leading to the self-accelerated oxide reduction. These results demonstrate the microscopic details that may have broader applicability in modulating various redox processes.

36 MATERIALS SCIENCE↗

Kelvin Probe Force Microscopy Imaging of Plasticity in Hydrogenated Perovskite Nickelate Multilevel Neuromorphic Devices

Ion drift in nanoscale electronically inhomogeneous semiconductors is among the most important mechanisms being studied for designing neuromorphic computing hardware. However, nondestructive imaging of the ion drift in operando devices directly responsible for multiresistance states and synaptic memory represents a formidable challenge. Here, we present Kelvin probe force microscopy imaging of hydrogen-doped perovskite nickelate device channels subject to high-speed electric field pulses to directly visualize proton distribution by monitoring surface potential changes spatially, which is also supported with finite element-based electric field distribution studies. First-principles calculations provide mechanistic insights into the origin of surface potential changes as a function of hydrogen donor doping that serves as the contrast mechanism. We demonstrate 128 (7-bit) nonvolatile conductance levels in such devices relevant to in-memory computing applications. The synaptic plasticity measurements are implemented in spiking neural networks and show promising results for classification (SciKit Learn’s Iris and Wine data sets) and control (OpenAI’s CartPole-v1 and BipedalWalker-v3) simulation tasks.

Kelvin probe force microscopy↗

Cloud‐Surface Coupling Alters the Morning Transition From Stable to Unstable Boundary Layer

Abstract Due to surface heating, the morning boundary layer transits from stable to neutral or convective conditions, exerting critical influences on low tropospheric thermodynamics. Low clouds closely interact with the boundary layer development, yet their interactions bear considerable uncertainties. Our study reveals that cloud‐surface coupling alters the morning transition from stable to unstable boundary layer and thus notably affects the diurnal variation of the boundary layer. Specifically, due to the reduction in surface fluxes, decoupled clouds can delay the process of eroding nocturnal inversion by 0.8‐hr and even prevent the transition of the boundary layer from happening for 12% of decoupled cases, keeping the boundary layer in a stable state during the noontime. On the other hand, when clouds are coupled with the surface, cloud‐top radiative cooling can directly cool the upper boundary layer to facilitate sub‐cloud convection, leading to an unstable boundary layer in the earlier morning.

54 ENVIRONMENTAL SCIENCES↗

Reversal of spin-polarization near the Fermi level of the Rashba semiconductor BiTeCl

Abstract Spin–orbit coupling forms the physical basis for quantum materials with non-trivial topology and potential spintronics applications. The Rashba interaction is a textbook model of spin–orbit interactions, with charge carriers undergoing linear, isotropic spin-splitting in momentum space. Recently, non-centrosymmetric semiconductors in the family BiTe X ( X = Cl, Br, I) have been identified as exemplary Rashba materials due to the strong splitting of their bulk bands, yet a detailed investigation of their spin textures, and their relationships to local crystal symmetry, is currently lacking. We perform high-efficiency spin-resolved photoemission spectroscopy to directly image the spin texture of surface states of BiTeCl, and we find dramatic deviations from idealized behavior, including a reversal of the spin-polarization near the Fermi level. We show that this behavior can be described by higher-order contributions to the canonical Rashba model with the surface states localized to individual trilayers of the crystal. Due to the prominence of these effects near the Fermi level, they should have a strong impact on the spin-dependent transport of carriers.

36 MATERIALS SCIENCE↗

Direct evidence for low-energy electron emission following O LVV Auger transitions at oxide surfaces

Abstract Oxygen, the third most abundant element in the universe, plays a key role in the chemistry of condensed matter and biological systems. Here, we report evidence for a hitherto unexplored Auger transition in oxides, where a valence band electron fills a vacancy in the 2s state of oxygen, transferring sufficient energy to allow electron emission. We used a beam of positrons with kinetic energies of $$\sim 1$$ ∼ 1 eV to create O 2s holes via matter-antimatter annihilation. This made possible the elimination of the large secondary electron background that has precluded definitive measurements of the low-energy electrons emitted through this process. Our experiments indicate that low-energy electron emission following the Auger decay of O 2s holes from adsorbed oxygen and oxide surfaces are very efficient. Specifically, our results indicate that the low energy electron emission following the Auger decay of O 2s hole is nearly as efficient as electron emission following the relaxation of O 1s holes in $$\hbox {TiO}_2$$ TiO 2 . This has important implications for the understanding of Auger-stimulated ion desorption, Coulombic decay, photodynamic cancer therapies, and may yield important insights into the radiation-induced reactive sites for corrosion and catalysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗