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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Optical Control of Dopamine D2-like Receptors with Cell-Specific Fast-Relaxing Photoswitches

Dopamine D2-like receptors (D2R, D3R, and D4R) control diverse physiological and behavioral functions and are important targets for the treatment of a variety of neuropsychiatric disorders. Their complex distribution and activation kinetics in the brain make it difficult to target specific receptor populations with sufficient precision. We describe a new toolkit of light-activatable, fast-relaxing, covalently taggable chemical photoswitches that fully activate, partially activate, or block D2-like receptors. This technology combines the spatiotemporal precision of a photoswitchable ligand (P) with cell type and spatial specificity of a genetically encoded membrane anchoring protein (M) to which the P tethers. These tools set the stage for targeting endogenous D2-like receptor signaling with molecular, cellular, and spatiotemporal precision using only one wavelength of light.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Ultra-fast Proton Conduction and Photocatalytic Water Splitting in a Pillared Metal–Organic Framework

Proton-exchange membrane fuel cells enable the portable utilization of hydrogen (H 2 ) as an energy resource. Current electrolytic materials have limitation, and there is an urgent need to develop new materials showing especially high proton conductivity. Here, we report the ultra-fast proton conduction in a novel metal–organic framework, MFM-808, which adopts an unprecedented topology and a unique structure consisting of two-dimensional layers of {Zr 6 }-clusters. By replacing the bridging formate with sulfate ligands within {Zr 6 }-layers, the modified MFM-808-SO 4 exhibits an exceptional proton conductivity of 0.21 S·cm –1 at 85 °C and 99% relative humidity. Modeling by molecular dynamics confirms that proton transfer is promoted by an efficient two-dimensional conducting network assembled by sulfate–{Zr 6 }-layers. MFM-808-SO 4 also possesses excellent photocatalytic activity for water splitting to produce H 2 , paving a new pathway to achieve a renewable hydrogen-energy cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fast Climate Responses to Aerosol Emission Reductions During the COVID-19 Pandemic

The reduced human activities and associated decreases in aerosol emissions during the COVID-19 pandemic are expected to affect climate. Assuming emission changes during lockdown, back-to-work and post-lockdown stages of COVID-19, climate model simulations show a surface warming over continental regions of the Northern Hemisphere. In January–March, there was an anomalous warming of 0.05–0.15 K in eastern China, and the surface temperature increase was 0.04–0.07 K in Europe, eastern United States, and South Asia in March–May. The longer the emission reductions undergo, the warmer the climate would become. The emission reductions explain the observed temperature increases of 10–40% over eastern China relative to 2019. A southward shift of the ITCZ is also seen in the simulations. This study provides an insight into the impact of COVID-19 pandemic on global and regional climate and implications for immediate actions to mitigate fast global warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Reconstructing High Resolution ESM Data Through a Novel Fast Super Resolution Convolutional Neural Network (FSRCNN)

In this work, we present the first application of a fast super resolution convolutional neural network (FSRCNN) based approach for downscaling earth system model (ESM) simulations. Unlike other SR approaches, FSRCNN uses the same input feature dimensions as the low resolution input. This allows it to have smaller convolution layers, avoiding over-smoothing, and reducing computational costs. We adapt the FSRCNN to improve reconstruction on ESM data, we term the FSRCNN-ESM. We use high-resolution (~0.25°) monthly averaged model output of five surface variables over North America from the US Department of Energy's Energy Exascale Earth System Model's control simulation. These high-resolution and corresponding coarsened low-resolution (~1°) pairs of images are used to train the FSRCNN-ESM and evaluate its use as a downscaling approach. We find that FSRCNN-ESM outperforms FSRCNN and other super-resolution methods in reconstructing high resolution images producing finer spatial scale features with better accuracy for surface temperature, surface radiative fluxes, and precipitation.

58 GEOSCIENCES↗
DOE OSTI2022

The High-Frequency Signature of Slow and Fast Laboratory Earthquakes

Tectonic faults fail through a spectrum of slip modes, ranging from slow aseismic creep to rapid slip during earthquakes. Understanding the seismic radiation emitted during these slip modes is key for advancing earthquake science and earthquake hazard assessment. In this work, we use laboratory friction experiments instrumented with ultrasonic sensors to document the seismic radiation properties of slow and fast laboratory earthquakes. Stick-slip experiments were conducted at a constant loading rate of 8 μm/s and the normal stress was systematically increased from 7 to 15 MPa. We produced a full spectrum of slip modes by modulating the loading stiffness in tandem with the fault zone normal stress. Acoustic emission data were recorded continuously at 5 MHz. We demonstrate that the full continuum of slip modes radiate measurable high-frequency energy between 100 and 500 kHz, including the slowest events that have peak fault slip rates <100 μm/s. The peak amplitude of the high-frequency time-domain signals scales systematically with fault slip velocity. Stable sliding experiments further support the connection between fault slip rate and high-frequency radiation. Experiments demonstrate that the origin of the high-frequency energy is fundamentally linked to changes in fault slip rate, shear strain, and breaking of contact junctions within the fault gouge. Our results suggest that having measurements close to the fault zone may be key for documenting seismic radiation properties and fully understanding the connection between different slip modes.

58 GEOSCIENCES↗
DOE OSTI2021

Intermittent fasting enhances long-term memory consolidation, adult hippocampal neurogenesis, and expression of longevity gene Klotho

Daily calorie restriction (CR) and intermittent fasting (IF) enhance longevity and cognition but the effects and mechanisms that differentiate these two paradigms are unknown. We examined whether IF in the form of every-other-day feeding enhances cognition and adult hippocampal neurogenesis (AHN) when compared to a matched 10% daily CR intake and ad libitum conditions. After 3 months under IF, female C57BL6 mice exhibited improved long-term memory retention. IF increased the number of BrdU-labeled cells and neuroblasts in the hippocampus, and microarray analysis revealed that the longevity gene Klotho (Kl) was upregulated in the hippocampus by IF only. Furthermore, we found that downregulating Kl in human hippocampal progenitor cells led to decreased neurogenesis, whereas Kl overexpression increased neurogenesis. Finally, histological analysis of Kl knockout mice brains revealed that Kl is required for AHN, particularly in the dorsal hippocampus. These data suggest that IF is superior to 10% CR in enhancing memory and identifies Kl as a novel candidate molecule that regulates the effects of IF on cognition likely via AHN enhancement.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Direct observation of imploded core heating via fast electrons with super-penetration scheme

Fast ignition (FI) is a promising approach for high-energy-gain inertial confinement fusion in the laboratory. To achieve ignition, the energy of a short-pulse laser is required to be delivered efficiently to the pre-compressed fuel core via a high-energy electron beam. Therefore, understanding the transport and energy deposition of this electron beam inside the pre-compressed core is the key for FI. Here we report on the direct observation of the electron beam transport and deposition in a compressed core through the stimulated Cu Kα emission in the super-penetration scheme. Simulations reproducing the experimental measurements indicate that, at the time of peak compression, about 1% of the short-pulse energy is coupled to a relatively low-density core with a radius of 70 μm. Analysis with the support of 2D particle-in-cell simulations uncovers the key factors improving this coupling efficiency. Our findings are of critical importance for optimizing FI experiments in a super-penetration scheme.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

In-situ observation of trapped carriers in organic metal halide perovskite films with ultra-fast temporal and ultra-high energetic resolutions

Abstract We in-situ observe the ultrafast dynamics of trapped carriers in organic methyl ammonium lead halide perovskite thin films by ultrafast photocurrent spectroscopy with a sub-25 picosecond time resolution. Upon ultrafast laser excitation, trapped carriers follow a phonon assisted tunneling mechanism and a hopping transport mechanism along ultra-shallow to shallow trap states ranging from 1.72–11.51 millielectronvolts and is demonstrated by time-dependent and independent activation energies. Using temperature as an energetic ruler, we map trap states with ultra-high energy resolution down to < 0.01 millielectronvolt. In addition to carrier mobility of ~4 cm 2 V −1 s −1 and lifetime of ~1 nanosecond, we validate the above transport mechanisms by highlighting trap state dynamics, including trapping rates, de-trapping rates and trap properties, such as trap density, trap levels, and capture-cross sections. In this work we establish a foundation for trap dynamics in high defect-tolerant perovskites with ultra-fast temporal and ultra-high energetic resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Extreme fast charging of commercial Li-ion batteries via combined thermal switching and self-heating approaches

Abstract The mass adoption of electric vehicles is hindered by the inadequate extreme fast charging (XFC) performance (i.e., less than 15 min charging time to reach 80% state of charge) of commercial high-specific-energy (i.e., >200 Wh/kg) lithium-ion batteries (LIBs). Here, to enable the XFC of commercial LIBs, we propose the regulation of the battery’s self-generated heat via active thermal switching. We demonstrate that retaining the heat during XFC with the switch OFF boosts the cell’s kinetics while dissipating the heat after XFC with the switch ON reduces detrimental reactions in the battery. Without modifying cell materials or structures, the proposed XFC approach enables reliable battery operation by applying <15 min of charge and 1 h of discharge. These results are almost identical regarding operativity for the same battery type tested applying a 1 h of charge and 1 h of discharge, thus, meeting the XFC targets set by the United States Department of Energy. Finally, we also demonstrate the feasibility of integrating the XFC approach in a commercial battery thermal management system.

25 ENERGY STORAGE↗
DOE OSTI2023

Engineering the temporal dynamics of all-optical switching with fast and slow materials

Abstract All-optical switches control the amplitude, phase, and polarization of light using optical control pulses. They can operate at ultrafast timescales – essential for technology-driven applications like optical computing, and fundamental studies like time-reflection. Conventional all-optical switches have a fixed switching time, but this work demonstrates that the response-time can be controlled by selectively controlling the light-matter-interaction in so-called fast and slow materials. The bi-material switch has a nanosecond response when the probe interacts strongly with titanium nitride near its epsilon-near-zero (ENZ) wavelength. The response-time speeds up over two orders of magnitude with increasing probe-wavelength, as light’s interaction with the faster Aluminum-doped zinc oxide (AZO) increases, eventually reaching the picosecond-scale near AZO’s ENZ-regime. This scheme provides several additional degrees of freedom for switching time control, such as probe-polarization and incident angle, and the pump-wavelength. This approach could lead to new functionalities within key applications in multiband transmission, optical computing, and nonlinear optics.

42 ENGINEERING↗
DOE OSTI2024

Learning protocols for the fast and efficient control of active matter

Exact analytic calculation shows that optimal control protocols for passive molecular systems often involve rapid variations and discontinuities. However, similar analytic baselines are not generally available for active-matter systems, because it is more difficult to treat active systems exactly. Here we use machine learning to derive efficient control protocols for active-matter systems, and find that they are characterized by sharp features similar to those seen in passive systems. We show that it is possible to learn protocols that effect fast and efficient state-to-state transformations in simulation models of active particles by encoding the protocol in the form of a neural network. We use evolutionary methods to identify protocols that take active particles from one steady state to another, as quickly as possible or with as little energy expended as possible. Our results show that protocols identified by a flexible neural-network ansatz, which allows the optimization of multiple control parameters and the emergence of sharp features, are more efficient than protocols derived recently by constrained analytical methods. Our learning scheme is straightforward to use in experiment, suggesting a way of designing protocols for the efficient manipulation of active matter in the laboratory.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Fast product release requires active-site water dynamics in carbonic anhydrase

Water plays an essential role in enzyme structure, stability, and the substantial rate enhancement of enzyme catalysis. However, direct observations linking enzyme catalysis and active-site water dynamics pose a significant challenge due to experimental difficulties. By integrating an ultraviolet (UV) photolysis technique with temperature-controlled X-ray crystallography, we track the catalytic pathway of carbonic anhydrase II (CAII) at 1.2 Å resolution. This approach enables us to construct molecular movies of CAII catalysis, encompassing substrate (CO 2 ) binding, conversion from substrate to product (bicarbonate), and product release. In the catalytic pathway, we identify an unexpected configuration in product binding and correlate it with sub-nanosecond rearrangement of active-site water. Based on these experimental observations, we propose a comprehensive mechanism of CAII and describe the detailed structure and dynamics of active-site water in CAII. Our findings suggest that CAII has evolved to utilize the structure and fast dynamics of the active-site waters for its diffusion-limited catalytic efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Fast superconducting qubit control with subharmonic drives

Increasing the fidelity of single-qubit gates requires a combination of faster pulses and increased qubit coherence. However, these requirements can be contradictory. Additionally, increasing the drive power can heat the qubit’s environment and degrade coherence. In this work, we circumvent this issue and achieve rapid gates by pumping a transmon’s native Kerr at approximately one third of the qubit’s resonant frequency. The subharmonic Rabi rate of the process is proportional to applied drive amplitude cubed, allowing for rapid gates. In addition, we demonstrate that filtering can be used to protect the qubit’s coherence while performing rapid gates. Single qubit gates as short as 37.4 ns are demonstrated with fidelity of 99.91%. We present theoretical calculations indicating that drive induced multi-photon decay will not limit qubit lifetime; calculated power absorption also indicates that this technique could reduce cryostat heating for fast gates, a vital requirement for large-scale quantum computers.

Xia, Mingkang [Univ. of Pittsburgh, PA (United Sta↗
DOE OSTI2023

Ultra-fast interpretable machine-learning potentials

Abstract All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and predictive accuracy. To address this challenge, we combine effective two- and three-body potentials in a cubic B-spline basis with regularized linear regression to obtain machine-learning potentials that are physically interpretable, sufficiently accurate for applications, as fast as the fastest traditional empirical potentials, and two to four orders of magnitude faster than state-of-the-art machine-learning potentials. For data from empirical potentials, we demonstrate the exact retrieval of the potential. For data from density functional theory, the predicted energies, forces, and derived properties, including phonon spectra, elastic constants, and melting points, closely match those of the reference method. The introduced potentials might contribute towards accurate all-atom dynamics simulations of large atomistic systems over long-time scales.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spectrally reconfigurable quantum emitters enabled by optimized fast modulation

The ability to shape photon emission facilitates strong photon-mediated interactions between disparate physical systems, thereby enabling applications in quantum information processing, simulation and communication. Spectral control in solid state platforms such as color centers, rare earth ions, and quantum dots is particularly attractive for realizing such applications on-chip. Here we propose the use of frequency-modulated optical transitions for spectral engineering of single photon emission. Using a scattering-matrix formalism, we find that a two-level system, when modulated faster than its optical lifetime, can be treated as a single-photon source with a widely reconfigurable photon spectrum that is amenable to standard numerical optimization techniques. To enable the experimental demonstration of this spectral control scheme, we investigate the Stark tuning properties of the silicon vacancy in silicon carbide, a color center with promise for optical quantum information processing technologies. We find that the silicon vacancy possesses excellent spectral stability and tuning characteristics, allowing us to probe its fast modulation regime, observe the theoretically-predicted two-photon correlations, and demonstrate spectral engineering. Our results suggest that frequency modulation is a powerful technique for the generation of new light states with unprecedented control over the spectral and temporal properties of single photons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Broadband X-ray burst spectroscopy of the fast-radio-burst-emitting Galactic magnetar

Magnetars are young, magnetically powered neutron stars that possess the strongest magnetic fields in the Universe. Fast radio bursts (FRBs) are extremely intense millisecond-long radio pulses of primarily extragalactic origin, and a leading attribution for their genesis focuses on magnetars. A hallmark signature of magnetars is their emission of bright, hard X-ray bursts of sub-second duration. On 27 April 2020, the Galactic magnetar SGR J1935+2154 emitted hundreds of X-ray bursts within a few hours. One of these temporally coincided with an FRB, the first known detection of an FRB from the Milky Way. Here, we present spectral and temporal analyses of 24 X-ray bursts emitted 13 hours prior to the FRB and seen simultaneously with the Neutron Star Interior Composition Explorer (NICER) mission of the National Aeronautics and Space Administration and with the Fermi Gamma-ray Burst Monitor (GBM) mission in their combined energy range of 0.2 keV to 30 MeV. These broadband spectra permit direct comparison with the spectrum of the FRB-associated X-ray burst (FRB-X). We demonstrate that all 24 NICER and GBM bursts are very similar temporally to the FRB-X, but strikingly different spectrally. The singularity of the FRB-X burst is perhaps indicative of an uncommon locale for its origin. We suggest that this event originated in quasi-polar open or closed magnetic field lines that extend to high altitudes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Quantitative and mechanistic insights into proton dynamics for fast energy storage

Proton conduction in hydrogen-bond-rich protic electrolytes enables fast mass and charge transport, crucial for electrochemical energy storage and power conversion. Such transport can give proton-based batteries exceptional rate capability and low-temperature operation beyond other working ions. Here we show that in phosphoric acid (H 3 PO 4 ) electrolytes, vehicular and structural proton transport coexist, and their contributions to conductivity can be quantitatively distinguished. We link structural diffusion directly to hydrogen-bond strength, enabling the precise tuning of proton migration. Guided by this, we reveal a double conductivity peak from regulated structural diffusion. The optimal electrolyte (5.8-M H 3 PO 4 ) achieves high overall (232.9 mS cm −1 ) and structural (164.9 mS cm−1) conductivity. A MoO 3 ‖CuFe-TBA battery with this electrolyte outperforms a deep-eutectic benchmark (8.3-M H 3 PO 4 ), delivering >17,474 W kg −1 at room temperature and retaining 15.1 Wh kg −1 at −75 °C. These findings provide a framework for designing advanced protic electrolytes across electrochemical systems.

Li, Ziyue [Fudan University, Shanghai (China, Peop↗
DOE OSTI2020

Closed-loop optimization of fast-charging protocols for batteries with machine learning

Simultaneously optimizing many design parameters in time-consuming experiments causes bottlenecks in a broad range of scientific and engineering disciplines. One such example is process and control optimization for lithium-ion batteries during materials selection, cell manufacturing and operation. A typical objective is to maximize battery lifetime; however, conducting even a single experiment to evaluate lifetime can take months to years. Furthermore, both large parameter spaces and high sampling variability necessitate a large number of experiments. As such, the key challenge is to reduce both the number and the duration of the experiments required. Here we develop and demonstrate a machine learning methodology to efficiently optimize a parameter space specifying the current and voltage profiles of six-step, ten-minute fast-charging protocols for maximizing battery cycle life, which can alleviate range anxiety for electric-vehicle users. We combine two key elements to reduce the optimization cost: an early-prediction model, which reduces the time per experiment by predicting the final cycle life using data from the first few cycles, and a Bayesian optimization algorithm, which reduces the number of experiments by balancing exploration and exploitation to efficiently probe the parameter space of charging protocols. Using this methodology, we rapidly identify high-cycle-life charging protocols among 224 candidates in 16 days (compared with over 500 days using exhaustive search without early prediction), and subsequently validate the accuracy and efficiency of our optimization approach. Our closed-loop methodology automatically incorporates feedback from past experiments to inform future decisions and can be generalized to other applications in battery design and, more broadly, other scientific domains that involve time-intensive experiments and multi-dimensional design spaces.

25 ENERGY STORAGE↗