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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Accelerator Physics at NSLS-II: Research Accomplishments in 2024

NSLS-II accelerator physicists advanced the operational performance and scientific capabilities of NSLS-II, providing regular lattice characterization and correction, injec tion optimization, vertical emittance control, and beam dynamics reports with corre lation analysis. We further developed advanced lattice characterization techniques and studies on impedance, beam-induced heating, and higher-harmonic RF cavity effects to support NSLS-II and its high-brightness upgrade. The assessment of free-electron laser options for the NSLS-II upgrade has been completed. We carried out comprehensive studies focused on complex bend magnets and novel efficient injection schemes for next-generation low-emittance synchrotrons. We contributed to the Electron-Ion Collider project, including Electron Storage Ring lattice design, beam diagnostics, and injector studies. The physicists participated in international collaborations, including the development of Python-based Middle Layer software, and participated in key accel erator physics workshops and scientific meetings. The main research accomplishments achieved in 2024 are summarized in this report.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Photodissociation of aqueous I3− observed with liquid-phase ultrafast mega-electron-volt electron diffraction

Developing femtosecond resolution methods for directly observing structural dynamics is critical to understanding complex photochemical reaction mechanisms in solution. We have used two recent developments, ultrafast mega-electron-volt electron sources and vacuum compatible sub-micron thick liquid sheet jets, to enable liquid-phase ultrafast electron diffraction (LUED). We have demonstrated the viability of LUED by investigating the photodissociation of tri-iodide initiated with a 400 nm laser pulse. This has enabled the average speed of the bond expansion to be measured during the first 750 fs of dissociation and the geminate recombination to be directly captured on the picosecond time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

First-principles equation of state of CHON resin for inertial confinement fusion applications

A wide-range (0 to 1044.0 g/ cm 3 and 0 to 10 9 K) equation-of-state (EOS) table for a CH 1.72 O 0.37 N 0.086 quaternary compound has been constructed based on density-functional theory (DFT) molecular-dynamics (MD) calculations using a combination of Kohn-Sham DFT MD, orbital-free DFT MD, and numerical extrapolation. The first-principles EOS data are compared with predictions of simple models, including the fully ionized ideal gas and the Fermi-degenerate electron gas models, to chart their temperature-density conditions of applicability. The shock Hugoniot, thermodynamic properties, and bulk sound velocities are predicted based on the EOS table and compared to those of C-H compounds. The Hugoniot results show the maximum compression ratio of the C-H-O-N resin is larger than that of CH polystyrene due to the existence of oxygen and nitrogen; while the other properties are similar between CHON and CH. Radiation hydrodynamic simulations have been performed using the table for inertial confinement fusion targets with a CHON ablator and compared with a similar design with CH. Here, the simulations show CHON outperforms CH as the ablator for laser-direct-drive target designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Light-induced ultrafast spin transport in multilayer metallic films originates from sp-d spin exchange coupling

Ultrafast interaction between the femtosecond laser pulse and the magnetic metal provides an efficient way to manipulate the magnetic states of matter. Numerous experimental advancements have been made on multilayer metallic films in the last two decades. However, the underlying physics remains unclear. Here, relying on an efficient ab initio spin dynamics simulation algorithm, we revealed the physics that can unify the progress in different experiments. We found that light-induced ultrafast spin transport in multilayer metallic films originates from the sp - d spin-exchange interaction, which can induce an ultrafast, large, and pure spin current from ferromagnetic metal to nonmagnetic metal without charge carrier transport. The resulting trends of spin demagnetization and spin flow are consistent with most experiments. It can explain a variety of ultrafast light-spin manipulation experiments with different systems and different pump-probe technologies, covering a wide range of work in this field.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of p-doping on the intensity noise of epitaxial quantum dot lasers on silicon

This work experimentally investigates the impact of p-doping on the relative intensity noise (RIN) properties and subsequently on the modulation properties of semiconductor quantum dot (QD) lasers epitaxially grown on silicon. Owing to the low threading dislocation density and the p-modulation doped GaAs barrier layer in the active region, the RIN level is found very stable with temperature with a minimum value of − <#comment/> 150 d B / H z . The dynamical features extracted from the RIN spectra show that p-doping between zero and 20 holes/dot strongly modifies the modulation properties and gain nonlinearities through increased internal losses in the active region and thereby hinders the maximum achievable bandwidth. Overall, this Letter is important for designing future high-speed and low-noise QD devices integrated in future photonic integrated circuits.

Duan, Jianan (ORCID:0000000177104287)↗
DOE OSTI2020

Skyrmion fluctuations at a first-order phase transition boundary

Magnetic skyrmions are topologically protected spin textures with promising prospects for applications in data storage. They can form a lattice state due to competing magnetic interactions and are commonly found in a small region of the temperature—magnetic field phase diagram. Recent work has demonstrated that these magnetic quasi-particles fluctuate at the μeV energy scale. Here, we use a coherent x-ray correlation method at an x-ray free-electron laser to investigate these fluctuations in a magnetic phase coexistence region near a first-order transition boundary where fluctuations are not expected to play a major role. Surprisingly, we find that the relaxation of the intermediate scattering function at this transition differs significantly compared to that deep in the skyrmion lattice phase. The observation of a compressed exponential behavior suggests solid-like dynamics, often associated with jamming. We assign this behavior to disorder and the phase coexistence observed in a narrow field-window near the transition, which can cause fluctuations that lead to glassy behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Applications of LIF to Document Natural Variability of Chlorophyll Content and Cu Uptake in Moss

Chlorophyll has long been used as a natural indicator of plant health and photosynthetic efficiency. Laser-induced fluorescence (LIF) is an emerging technique for understanding broad spectrum organic processes and has more recently been used to monitor chlorophyll response in plants. Previous work has focused on developing a LIF technique for imaging moss mats to identify metal contamination with the current focus shifting toward application to moss fronds and aiding sample collection for chemical analysis. Two laser systems (CoCoBi a Nd:YGa pulsed laser system and Chl-SL with two blue continuous semiconductor diodes) were used to collect images of moss fronds exposed to increasing levels of Cu (1, 10, and 100 nmol/cm 2 ) using a CMOS camera. The best methods for the preprocessing of images were conducted before the analysis of fluorescence signatures were compared to a control. The Chl-SL system performed better than the CoCoBi, with dynamic time warping (DTW) proving the most effective for image analysis. Manual thresholding to remove lower decimal code values improved the data distributions and proved whether using one or two fronds in an image was more advantageous. A higher DTW difference from the control correlated to lower chlorophyll a/b ratios and a higher metal content, indicating that LIF, with the aid of image processing, can be an effective technique for identifying Cu contamination shortly after an event.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A mesoscopic digital twin that bridges length and time scales for control of additively manufactured metal microstructures

We present our recent development of an integrated mesoscale digital twin (DT) framework for relating processing conditions, microstructures, and mechanical responses of additively manufactured (AM) metals. In particular, focusing on the laser powder bed fusion technique, we describe how individual modeling and simulation capabilities are coupled to investigate and control AM microstructural features at multiple length and time scales. We review our prior case studies that demonstrate the integrated modeling schemes, in which high-fidelity melt pool dynamics simulations provide accurate local thermal profiles and histories to subsequent AM microstructure simulations. We also report our new mechanical response modeling results for predicted AM microstructures. In addition, we illustrate how our DT framework has been validated through modeling–experiment integration, as well as how it has been practically utilized to guide and analyze AM experiments. Finally, we share our perspectives on future directions of further development of the DT framework for more efficient, accurate predictions and wider ranges of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Second-harmonic generation in zinc blende crystals under combined action of femtosecond optical and strong terahertz fields

The influence of a short intense (with an electric field strength up to 250 kV cm{sup −1}) terahertz (THz) pulse on the generation of second harmonic (SH) of Ti : sapphire laser radiation in crystals of zinc blende type (InAs and GaAs), characterised by nonzero bulk quadratic susceptibility, is investigated. It is experimentally shown for InAs(100) that, in the case of s-polarised first and second harmonics, an application of s-polarised THz field changes significantly the SH signal. The THz field-induced azimuthal dependence of the SH signal is in good agreement with the results of theoretical calculation within a phenomenological approach. The dependence of the SH signal on the delay time between the optical and THz pulses is investigated. This dependence for the GaAs crystal repeats the envelope of the THz pulse intensity, whereas in the case of InAs crystal there is a significant discrepancy, caused by the nonlinear dynamics of strong THz field in InAs. (nonlinear optical phenomena)

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ultrafast THz emission spectroscopy of spin currents in the metamagnet FeRh

Heterostructures of ferromagnetic (FM) and noble metal (NM) thin films have recently attracted considerable interest as viable platforms for the ultrafast generation, control, and transduction of light-induced spin currents. In such systems, an ultrafast laser can generate a transient spin current in the FM layer, which is then converted to a charge current at the FM/NM interface due to strong spin–orbit coupling in the NM layer. Whether such conversion can happen in a single material and how the resulting spin current can be quantified are open questions under active study. Here, we report ultrafast THz emission from spin–charge conversion in a bare FeRh thin film without any NM layer. Our results highlight that the magnetic material by itself can enable spin–charge conversion in the same order as that in a FM/NM heterostructure. We further propose a simple model to estimate the light-induced spin current in FeRh across its metamagnetic phase transition temperature. Our findings have implications for the study of the ultrafast dynamics of magnetic order in quantum materials using THz emission spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An Extensible High Energy Density Modeling Tool for Extreme Regimes

The overreaching goal of the project is to develop a simulation capability to model an entire High Energy Density (HED) target heated by an X-ray Free Electron Laser (XFEL) beam including the surrounding material with a focus on target material associated with subsequent shots. Our primary objective is to study target fratricide problems, where radiation/debris from the current shot degrade the target for subsequent shots. This work will have a large impact on research being conducted at HED facilities where the quality of data is directly related to the effective repetition rate of the driver, which is often limited by target fratricide problems. This project focuses on a stream of closely spaced droplet targets that are appropriate for new very high repetition rate sources such as the ~1 MHz LCLS-II upgraded XFEL. The capability of the PISALE (Pacific Island Structured-AMR with ALE) code is extended to model this class of problems. We summarize the capability and improvements made to the HED branch of the PISALE code. We discuss our simulations of target fratricide for small (5 micron) hydrogen droplets heated by an XFEL beam at SLAC. We also compare simulations of the initial dynamics of larger (50 micron) water droplets, heated by the same XFEL beam, with experimental data. We briefly discuss training, dissemination, and related activities associated with this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Ultrafast One-Dimensional Peierls-Distortion Dynamics in 1⁢T′−Re⁢S 2 Revealed by 4D Electron Microscopy

Rhenium disulfide (ReS 2 ), a prototypical 2D semiconductor with an anisotropic 1⁢T′ structure due to the pronounced Peierls distortion, has demonstrated great potential for polarization-dependent optoelectronics and photonics. Here, we report an ultrafast phase transition occurring within 1 ps, accompanied by a one-dimensional Peierls-distortion relaxation in 1⁢T′−ReS 2 revealed with combined 4D electron microscopy and time-dependent density functional theory calculations. Upon femtosecond laser pulse excitation, the Re-Re dimerization morphology rapidly transforms from a diamond cluster to zigzag chains and persists for several nanoseconds. Here, this ultrafast Peierls-distortion relaxation is further verified by transient changes in optical anisotropy via polarization-dependent transient absorption spectroscopy. Time-dependent density functional theory calculations attribute this novel phase transition to strong correlation between Peierls distortion and impulsive photoexcited carrier doping, predicting a transient band-gap collapse. This Letter opens up an exciting avenue for ultrafast control of Peierls-distortion-induced anisotropy and the metal-insulator transition in 1⁢T′−ReS 2 .

1T’-ReS2↗
DOE OSTI2022

Terahertz Detection Using Enhanced Two‐Step Absorption in Photoconductive Metasurfaces Gated at λ = 1.55 µm

Abstract Superior ultrafast photoconductive properties make low temperature grown (LT) GaAs one of the best materials for photoconductive terahertz (THz) detection. However, the large bandgap of LT‐GaAs limits its operation to gating at wavelengths shorter than 870 nm. Here, it is demonstrated for the first time that nanostructuring the LT‐GaAs into a highly absorbing metasurface enables THz photoconductive detection with a pulsed laser at λ = 1.55 µm. The very weak sub‐bandgap absorption mediated by midgap states in LT‐GaAs is strongly enhanced using the concept of perfect absorption via degenerate critical coupling. Integrated with a THz antenna, the LT‐GaAs metasurface enables high sensitivity THz detection with a high dynamic range of 60 dB and large bandwidth up to 4.5 THz. The LT‐GaAs metasurface has the potential to serve as a universal ultrafast switching element for THz applications, enabling low‐cost, turn‐key THz systems for a variety of real‐world applications.

Jung, Hyunseung↗
DOE OSTI2023

Characterization of transverse electron pulse trains using RF powered traveling wave metallic comb striplines

Advancements in ultrafast electron microscopy have allowed elucidation of spatially selective structural dynamics. However, as the spatial resolution and imaging capabilities have made progress, quantitative characterization of the electron pulse trains has not been reported at the same rate. In fact, inexperienced users have difficulty replicating the technique because only a few dedicated microscopes have been characterized thoroughly. Systems replacing laser driven photoexcitation with electrically driven deflectors especially suffer from a lack of quantified characterization because of the limited quantity. The primary advantages to electrically driven systems are broader frequency ranges, ease of use and simple synchronization to electrical pumping. Here, we characterize the technical parameters for electrically driven UEM including the shape, size and duration of the electron pulses using low and high frequency chopping methods. At high frequencies, pulses are generated by sweeping the electron beam across a chopping aperture. For low frequencies, the beam is continuously forced off the optic axis by a DC potential, then momentarily aligned by a countering pulse. Using both methods, we present examples that measure probe durations of 2 ns and 10 ps for the low and high frequency techniques, respectively. Here, we also discuss how the implementation of a pulsed probe affects STEM imaging conditions by adjusting the first condenser lens.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-Ion Battery Chemistry by Mass Spectrometry and Electrochemical Reaction Networks

The formation and stability of the solid-electrolyte interphase (SEI) play central roles in determining the long-term performance and safety of modern electrochemical energy storage systems. Despite decades of research, the SEI’s heterogeneous, dynamic, and multiphase nature has defied comprehensive molecular-level characterization, creating a critical knowledge gap that limits rational battery design. In this work, we introduce a computational−experimental framework that integrates high-throughput quantum chemistry calculations, data-driven electrochemical reaction networks (eCRNs), stochastic algorithms, and laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (LDI-FTICR-MS) to unravel SEI formation in carbonatebased electrolytes without imposing predefined mechanisms. We constructed the most comprehensive eCRN to date, spanning over 10,000 species and 209 million reactions. Through stochastic network analysis, we successfully recovered 27 species that were previously reported in the literature and predicted 28 novel SEI species nearly doubling our scientific knowledge in this area. Each new species was rigorously confirmed through advanced mass spectral analysis of its distinct molecular and isotopic signatures. We kinetically refined the formation pathways for a select set of both previously reported and novel SEI products, revealing kinetically feasible elementary reaction mechanisms with activation barriers below 1 eV. This computational−experimental approach deepens our molecular-level understanding of SEI chemistry by resolving which species form and through which decomposition mechanisms they emerge. Such knowledge provides the foundation necessary to connect electrolyte composition to the resulting SEI components, a critical step toward a more informed electrolyte development in next-generation lithium-based batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Spin/valley pumping of resident electrons in WSe2 and WS2 monolayers

Abstract Monolayers of transition metal dichalcogenides are ideal materials to control both spin and valley degrees of freedom either electrically or optically. Nevertheless, optical excitation mostly generates excitons species with inherently short lifetime and spin/valley relaxation time. Here we demonstrate a very efficient spin/valley optical pumping of resident electrons in n-doped WSe 2 and WS 2 monolayers. We observe that, using a continuous wave laser and appropriate doping and excitation densities, negative trion doublet lines exhibit circular polarization of opposite sign and the photoluminescence intensity of the triplet trion is more than four times larger with circular excitation than with linear excitation. We interpret our results as a consequence of a large dynamic polarization of resident electrons using circular light.

36 MATERIALS SCIENCE↗