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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Direct Evidence of Exciton–Exciton Annihilation in Single-Crystalline Organic Metal Halide Nanotube Assemblies

Excitons in low-dimensional organic–inorganic metal halide hybrid structures are commonly thought to undergo rapid self-trapping following creation due to strong quantum confinement and exciton–phonon interaction. Here we report an experimental study probing the dynamics of these self-trapped excitons in the single-crystalline bulk assemblies of 1D organic metal halide nanotubes, (C 6 H 13 N 4 ) 3 Pb 2 Br 7 . Through time-resolved photoluminescence (PL) measurements at different excitation intensities, we observed a marked variation in the PL decay behavior that is manifested by an accelerated decay rate with increasing excitation fluence. Our results offer direct evidence of the occurrence of an exciton–exciton annihilation process, a nonlinear relaxation phenomenon that takes place only when some of the self-trapped excitons become mobile and can approach either each other or those trapped excitons. As a result, we further identify a fast and dominant PL decay component with a lifetime of ~2 ns with a nearly invariant relative area for all acquired PL kinetics, suggesting that this rapid relaxation process is intrinsic.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Glycosylated Peptoid Nanosheets as a Multivalent Scaffold for Protein Recognition

Glycoproteins adhered on the cellular membrane play an important role in a wide range of cellular functions. Their significance is particularly relevant in the recognition process between infectious pathogens (such as viruses, bacteria, toxins) and their host cells. Multivalent interactions at the pathogen-cell interfaces govern binding events and can result in a strong and specific interaction. Here in this paper, we report an approach to mimic the cell surface presentation of carbohydrate ligands by the multivalent display of sugars on the surface of peptoid nanosheets. The constructs provide a highly organized 2D platform for recognition of carbohydrate-binding proteins. The sugars were displayed using different linker lengths or within loops containing 2-6 hydrophilic peptoid monomers. Both the linkers and the loops contained one alkyne-bearing monomer, to which different saccharides were attached by copper-catalyzed azide-alkyne cycloaddition reactions. Peptoid nanosheets functionalized with different saccharide groups were able to selectively bind multivalent lectins, Concanavalin A and Wheat Germ Agglutinin, as observed by fluorescence microscopy and a homogeneous Förster resonance energy transfer (FRET)-based binding assay. To evaluate the potential of this system as sensor for threat agents, the ability of functionalized peptoid nanosheets to bind Shiga toxin was also studied. Peptoid nanosheets were functionalized with globotriose, the natural ligand of Shiga toxin, and the effective binding of the nanomaterial was verified by the FRET-based binding assay. In all cases, evidence for multivalent binding was observed by systematic variation of the ligand display density on the nanosheet surface. These cell surface mimetic nanomaterials may find utility in the inactivation of pathogens or as selective molecular recognition elements.

bioinspired polymers↗
DOE OSTI2021

Two-Dimensional 2M-WS 2 Nanolayers for Superconductivity

Recently, a newly discovered VIB group transition metal dichalcogenide (TMD) material, 2M-WS 2 , has attracted extensive attention due to its interesting physical properties such as topological superconductivity, nodeless superconductivity, and anisotropic Majorana bound states. However, the techniques to grow high-quality 2M-WS 2 bulk crystals and the study of their physical properties at the nanometer scale are still limited. In this work, we report a new route to grow high-quality 2M-WS 2 single crystals and the observation of superconductivity in its thin layers. The crystal structure of the as-grown 2M-WS 2 crystals was determined by X-ray diffraction (XRD) and scanning tunneling microscopy (STM). The chemical composition of the 2M-WS 2 crystals was determined by energy dispersive X-ray spectroscopy (EDS) analysis. At 77 K, we observed the spatial variation of the local tunneling conductance (dI/dV) of the 2M-WS2 thin flakes by scanning tunneling spectroscopy (STS). Our low temperature transport measurements demonstrate clear signatures of superconductivity of a 25 nm-thick 2M-WS 2 flake with a critical temperature (T C ) of ~8.5 K and an upper critical field of ~2.5 T at T = 1.5 K. Our work may pave new opportunities in studying the topological superconductivity at the atomic scale in simple 2D TMD materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Plasma Properties in the Earth's Magnetosheath Near the Subsolar Magnetopause: Implications for Geocoronal Density Estimates

Combined in situ ion measurements and remote sensing of energetic neutral atoms are used to determine the geocoronal Hydrogen density at large (∼10 R E ) distances from the Earth. This method for determining the geocoronal density requires global magnetospheric modeling. Observations in the Earth's subsolar magnetosheath from the Magnetospheric Multiscale mission are used to determine the accuracy of using global models to predict the geocoronal density. On average, gas dynamic and magnetohydrodynamic (MHD) models and observations are in reasonable agreement, with differences <25%. In addition, the MHD model subsolar magnetopause is about 0.5 R E sunward of the observed location. However, variations around averages are large (up to a factor of 2), indicating that global models introduce relatively large uncertainties in geocoronal density estimates. Finally, the critical ion flux in the Interstellar Boundary Explorer IBEX‐Hi energy range is often minimally affected by fluctuations of a factor of 2 in the density.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A Lake Biogeochemistry Model for Global Methane Emissions: Model Development, Site‐Level Validation, and Global Applicability

Abstract Lakes are important sentinels of climate change and may contribute over 30% of natural methane (CH 4 ) emissions; however, no earth system model (ESM) has represented lake CH 4 dynamics. To fill this gap, we refined a process‐based lake biogeochemical model to simulate global lake CH 4 emissions, including representation of lake bathymetry, oxic methane production (OMP), the effect of water level on ebullition, new non‐linear CH 4 oxidation kinetics, and the coupling of sediment carbon pools with in‐lake primary production and terrigenous carbon loadings. We compiled a lake CH 4 data set for model validation. The model shows promising performance in capturing the seasonal and inter‐annual variabilities of CH 4 emissions at 10 representative lakes for different lake types and the variations in mean annual CH 4 emissions among 106 lakes across the globe. The model reproduces the variations of the observed surface CH 4 diffusion and ebullition along the gradients of lake latitude, depth, and surface area. The results suggest that OMP could play an important role in surface CH 4 diffusion, and its relative importance is higher in less productive and/or deeper lakes. The model performance is improved for capturing CH 4 outgassing events in non‐floodplain lakes and the seasonal variability of CH 4 ebullition in floodplain lakes by representing the effect of water level on ebullition. The model can be integrated into ESMs to constrain global lake CH 4 emissions and climate‐CH 4 feedback.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Skillful multiyear predictions of ocean acidification in the California Current System

The California Current System (CCS) sustains economically valuable fisheries and is particularly vulnerable to ocean acidification, due to its natural upwelling of carbon-enriched waters that generate corrosive conditions for local ecosystems. Here we use a novel suite of retrospective, initialized ensemble forecasts with an Earth system model (ESM) to predict the evolution of surface pH anomalies in the CCS. We show that the forecast system skillfully predicts observed surface pH variations a year in advance over a naive forecasting method, with the potential for skillful prediction up to five years in advance. Skillful predictions of surface pH are mainly derived from the initialization of dissolved inorganic carbon anomalies that are subsequently transported into the CCS. Our results demonstrate the potential for ESMs to provide skillful predictions of ocean acidification on large scales in the CCS. Initialized ESMs could also provide boundary conditions to improve high-resolution regional forecasting systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

High sensitivity pressure and temperature quantum sensing in pentacene-doped p-terphenyl single crystals

Quantum sensors’ responsiveness to their physical environment enables detection of variables such as temperature (T), pressure (P), and strain. We present a molecular platform for PT sensing using para-terphenyl crystals doped with pentacene (PDP), leveraging optically detected magnetic resonance (ODMR) of photoexcited triplet electron spins. We observe maximal frequency variations of df/dP=1.8 MHz/bar from 0-8 bar and df/dT=247 kHz/K from 79–330 K, over 1200 times and threefold greater, respectively, than those seen with nitrogen-vacancy centers in diamond and > 85-fold greater pressure sensitivity over the previous record. Density functional theory calculations indicate picometer-level PT-induced molecular orbital shifts are measurable via ODMR. PDP offers additional advantages including high sensor doping levels, narrow ODMR linewidths, high contrast, and low-cost single crystal growth. Overall, this work reports low-cost, optically-interrogated PT sensors and lays the foundation for increased versatility of quantum sensors through synthetic molecular design.

Magnetic properties and materials↗
DOE OSTI2025

Neutrons reveal the dynamics of leaf thylakoids in living plants

The study is the first known exploration of photosynthetic membranes dynamics in living plants by high resolution quasielastic neutron scattering spectroscopy. We investigated the mobility and flexibility of thylakoid membranes in common duckweed (Landoltia punctata) and identified dynamics across various length scales corresponding to individual membranes and membranes stack. We employed classical models typically used to study lipid bilayers to characterize the undulation modes and rigidity of the membranes and reveal how structural variations influence the observed complex dynamics. Our findings show that the stacks of thylakoids in duckweed behave as rigid systems, exhibiting an effective bending coefficient in the lower range associated with surfactant membranes. In contrast, the single thylakoid leaflets display greater apparent flexibility and are well situated within the bi-continuous surfactant phase dynamics. While our observations enhance the understanding of the intricate architecture and mobility of photosynthetic cellular machinery, they also highlight the limitations of applying ideal lipid membranes models to describe complex biological systems. This work opens more questions and the need for further investigations across extended length and time scales, as well as the importance of rigorous sample preparation and experimental control.

Applied physics↗
DOE OSTI2021

Synthesis, structure, electronic and thermal properties of sphalerite CuZn 2 InS 4

Quaternary chalcogenides continue to be of interest due to the variety of physical properties they possess, as well as their potential for different applications of interest. Investigations on materials with the sphalerite crystal structure have only recently begun. In this study we have synthesized sulfur-based sphalerite quaternary chalcogenides, including off-stoichiometric compositions, and investigated the temperature-dependent electronic, thermal and structural properties of these materials. Insulating to semiconducting transport is observed with stoichiometric variation, and analyses of heat capacity and thermal expansion revealed lattice anharmonicity that contributes to the low thermal conductivity these materials possess. Finally, we include similar analyses for CuZn 2 InSe 4 and compare these sphalerite quaternary chalcogenides to that of zinc blende binaries in order to fully understand the origin of the low thermal conductivity these quaternary chalcogenides possess.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Simulated signatures of ignition

Ignition on the National Ignition Facility (NIF) provides a novel opportunity to evaluate past data to identify signatures of capsule failure mechanisms. We have used new simulations of high-yield implosions as well as some from past studies in order to identify unique signatures of different ignition failure mechanisms: jetting due to the presence of voids or defects, jetting due to the capsule fill tube, interfacial mixing due to instabilities or due to plasma transport, radiative cooling due to the presence of contaminant in the hot spot, long-wavelength drive asymmetry, and preheat. Many of these failure mechanisms exhibit unique trajectories that can be distinguished through variations in experimental observables such as neutron yield, down-scattered ratio (DSR), and burn width. Our simulations include capsules using both plastic and high-density carbon ablators and span all high-yield designs considered since the beginning of the National Ignition Campaign in 2011. We observe that the variability in trajectories through the space of neutron yield, DSR, and burn width varies little across capsule design yet are unique to the failure mechanism. The experimental trajectories are most consistent with simulated preheat and jetting due to voids and defects, which are the only failure mechanisms that are indistinguishable in our analysis. This suggests that improvements to capsule compression due to improved capsule quality or reduced preheat have played a primary role in enabling high yields on NIF. Furthermore, our analysis suggests that further improvements have the potential to increase yields further.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

DESI mock challenge: constructing DESI galaxy catalogues based on FastPM simulations

Together with larger spectroscopic surveys such as the Dark Energy Spectroscopic Instrument (DESI), the precision of large-scale structure studies and thus the constraints on the cosmological parameters are rapidly improving. Therefore, one must build realistic simulations and robust covariance matrices. We build galaxy catalogues by applying a halo occupation distribution (HOD) model upon the FastPM simulations, such that the resulting galaxy clustering reproduces high-resolution N-body simulations. While the resolution and halo finder are different from the reference simulations, we reproduce the reference galaxy two-point clustering measurements – monopole and quadrupole – to a precision required by the DESI Year 1 emission line galaxy sample down to non-linear scales, i.e. $k\lt 0.5\, h\, \mathrm{Mpc}^{-1}$ or $s\gt 10\, \mathrm{Mpc}\, h^{-1}$. Furthermore, we compute covariance matrices based on the resulting FastPM galaxy clustering – monopole and quadrupole. We study for the first time the effect of fitting on Fourier conjugate (e.g. power spectrum) on the covariance matrix of the Fourier counterpart (e.g. correlation function). We estimate the uncertainties of the two parameters of a simple clustering model and observe a maximum variation of 20 per cent for the different covariance matrices. Nevertheless, for most studied scales the scatter is between 2 and 10 per cent. Consequently, using the current pipeline we can precisely reproduce the clustering of N-body simulations and the resulting covariance matrices provide robust uncertainty estimations against HOD fitting scenarios. We expect our methodology will be useful for the coming DESI data analyses and their extension for other studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Temperature dependence of the side-jump spin Hall conductivity

In the conventional paradigm of the spin Hall effect, the side-jump conductivity due to electron-phonon scattering is regarded to be temperature independent. In contrast, we draw the distinction that, while this side-jump conductivity is temperature independent in the classical equipartition regime where the longitudinal resistivity is linear in temperature, it can be temperature dependent below the equipartition regime. Here, the mechanism resulting in this temperature dependence differs from the familiar one of the longitudinal resistivity. In the concrete example of Pt, we show that the change of the spin Hall conductivity with temperature can be as high as 50%. Experimentally accessible high-purity Pt is proposed to be suitable for observing this prominent variation below 80 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Unraveling the structural dependency of Weyl nodes in Co 2 MnGa

Conventionally, the modulation of the intrinsic Weyl nodes in Weyl semimetals is challenging, due to topological protection. Here we report the structural dependence of the Weyl nodes in a Co2⁢MnGa Heusler thin film via a temperature-dependent tetragonal distortion. The ability to manipulate these Weyl nodes allows for the control of the intrinsic electromagnetic properties. Temperature-dependent x-ray diffraction (XRD) measurements identify a compressive tetragonal distortion with decreasing temperature from 300 to 20 K. The calculated Weyl properties can be directly compared with experimental parameters through the temperature-dependent XRD measurements which show the intrinsic correlation between Weyl properties and important magnetic parameters. Further, the microscopic momentum space properties of Weyl nodes such as the distance (d W ), solid angle (Ω W ), tilt (φ W ), and nodal point energy (E W ) directly affect the macroscopic observable properties such as exchange stiffness (A), magnetization (M), and effective anisotropy field $H^{eff}_{K}$, as shown via structure-dependent density functional theory calculations. These predictions are experimentally observed as large variations in the bulk magnetization and effective anisotropy field as a function of temperature. These results highlight a unique degree of freedom in the control of macroscopic magnetic properties via the modulation of the intrinsic properties of Weyl nodes through structural distortions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Electric and magnetic dipole strength in 112,114,116,118,120,124 Sn

Background: There is renewed interest in electric dipole strength distributions for a variety of reasons including the extraction of the dipole polarizability related to properties of the symmetry energy and a measure for the neutron skin thickness, understanding the structure of low-energy $\textit{E}$1 strength in nuclei with neutron excess, and establishing the systematics of the isovector giant dipole resonance (IVGDR). Inelastic proton scattering at energies of a few hundred MeV and very forward angles including 0° has been established as a tool for the study of electric and magnetic dipole strength distributions in nuclei. Purpose: The present work aims at a systematic investigation of the electric and magnetic dipole strength distributions in the chain of stable even-mass tin isotopes. Methods: Inelastic proton scattering experiments were performed at the Research Center for Nuclear Physics, Osaka, with a 295-MeV beam covering laboratory angles 0°–6° and excitation energies 6–22 MeV. Cross sections due to $\textit{E}$1 and $\textit{M}$1 excitations were extracted with a multipole decomposition analysis (MDA) and then converted to reduced transition probabilities with the “virtual photon method” for $\textit{E}$1 and the “unit cross section method” for $\textit{M}$1 excitations, respectively. Including a theory-aided correction for the high-excitation-energy region not covered experimentally, the electric dipole polarizability was determined from the $\textit{E}$1 strength distributions. Results: In this work, total photoabsorption cross sections derived from the $\textit{E}$1 and $\textit{M}$1 strength distributions show significant differences compared to those from previous ($\textit{γ, xn}$) experiments in the energy region of the IVGDR. The widths of the IVGDR deduced from the present data with a Lorentz parametrization show an approximately constant value of about 4.5 MeV in contrast to the large variations between isotopes observed in previous work. The IVGDR centroid energies are in good correspondence to expectations from empirical systematics of their mass dependence. Furthermore, a study of the dependence of the IVGDR energies on bulk matter properties is presented. The $\textit{E}$1 strengths below neutron threshold show fair agreement in this work with results from ($\textit{γ, γ'}$) experiments on 112,116,120,124 Sn in the energy region between 6 and 7 MeV, where also isoscalar $\textit{E}$1 strength was found for 124 Sn. At higher excitation energies, large differences are observed, pointing to a different nature of the excited states with small ground-state branching ratios. The isovector spin-$\textit{M}$1 strengths exhibit a broad distribution between 6 and 12 MeV in all studied nuclei. Conclusions: The present results contribute to the solution of a variety of nuclear structure problems including the systematics of the energy and width of the IVGDR, the structure of low-energy $\textit{E}$1 strength in nuclei, new constraints to energy density functionals (EDFs) aiming at a systematic description of the dipole polarizability across the nuclear chart, from which properties of the symmetry energy can be derived, and the systematics of the isovector spin-$\textit{M}$1 strength in heavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Challenges in Continuous In-Field Critical Current Testing of High-Temperature Superconducting Tapes: Thermal and Mechanical Perspectives

High-temperature superconductors (HTS) are essential for ultra-high-field applications requiring exceptional current-carrying capacity under extreme conditions. However, systematic characterization of critical current in long-length conductors remains challenging due to complex thermal, electromag netic, and mechanical interactions during continuous testing. This study reports the development of a continuous in-field magnetization testing system for position-dependent critical current measurement in HTS tapes at 20 K under 7.5 T fields applied normal to the tape plane, enabling identification of performance-limiting regions that could compromise magnet stability. Here, the system addresses two fundamental challenges inherent to cryogenic reel to-reel testing. First, thermal management requires continuous cooling of a moving conductor to 20 K, achieved through liquid nitrogen precooling combined with a 100 W@20 K Gifford McMahon cryocooler. Second, screening currents in high fields generate Lorentz forces that induce twisting, bowing, and potential delamination. To mitigate these risks, we propose mechanical reinforcement and active current density suppression strategies. Numerical simulations using the stream function formulation reveal four primary failure modes: frictional heating at guide interfaces, unstable equilibria causing deformation, transverse current-induced stresses at guide transitions, and unsupported forces in vertical spans. Our mitigation strategies include PTFE coated guides to minimize friction, spring-loaded stabilization mechanisms to maintain tape alignment, controlled pre-heating using the liquid nitrogen thermal jacket to suppress critical current at stress points, and optimized guide positioning to minimize force accumulation. The experimental system is nearing completion, with testing planned to commence within two months. Preliminary validation at 65 K under 0.5 T demonstrates strong correlation between simulation-predicted mechanical instabilities and observed critical current variations during conductor tran sitions through the measurement region. These findings establish a robust foundation for quality assurance protocols essential to next-generation superconducting magnet applications.

Chen, Siwei [Princeton Plasma Physics Laboratory (↗
DOE OSTI2022

Terahertz nano-imaging of metal-insulator transition in Cd 2 Os 2 O 7

The osmate pyrochlore Cd 2 Os 2 O 7 supports an antiferromagnet insulator ground state with an all-in/all-out (AIAO) spin ordering at low temperature. Above 225 K, Cd 2 Os 2 O 7 becomes a paramagnetic metal whereas the mechanism of this metal-to-insulator transition (MIT) remains elusive. In this letter, we use cryogenic near-field technique operating at terahertz frequencies to study the evolution of low-energy response across the MIT. We observed a systematic variation of the magnitude of nano-THz signal across the transition, consistent with the trend in the direct-current conductivity. Conducting domain walls that dominate the nano-scale landscape of the conductivity of a closely related AIAO system Nd 2 Ir 2 O 7 are not apparent in Cd 2 Os 2 O 7

36 MATERIALS SCIENCE↗
DOE OSTI2017

Quantitative analysis of multilayer organization of proteins and RNA in nuclear speckles at super resolution

Nuclear speckles are self-assembled organelles composed of RNAs and proteins. They are proposed to act as structural domains that control distinct steps in gene expression, including transcription, splicing and mRNA export. Earlier studies identified differential localization of a few components within the speckles. It was speculated that the spatial organization of speckle components might contribute directly to the order of operations that coordinate distinct processes. Here, by performing multi-color structured illumination microscopy, we characterized the multilayer organization of speckles at a higher resolution. We found that SON and SC35 (also known as SRSF2) localize to the central region of the speckle, whereas MALAT1 and small nuclear (sn)RNAs are enriched at the speckle periphery. Coarse-grained simulations indicate that the non-random organization arises due to the interplay between favorable sequence-encoded intermolecular interactions of speckle-resident proteins and RNAs. Finally, we observe positive correlation between the total amount of RNA present within a speckle and the speckle size. These results imply that speckle size may be regulated to accommodate RNA accumulation and processing. Accumulation of RNA from various actively transcribed speckle-associated genes could contribute to the observed speckle size variations within a single cell.

Fei, Jingyi↗
DOE OSTI2023

Trapping-induced quantum beats in a van-der-Waals heterostructure microcavity observed by two-dimensional micro-spectroscopy

Spatial confinement has been frequently engineered to control the flow and relaxation dynamics of exciton polaritons. While widely investigated in GaAs microcavities, exciton-polariton coupling between discretized polariton modes arising from spatially confined 2D crystals been has been less exhaustively studied. Here, we use coherent 2D photoluminescence-detected micro-spectroscopy to detect oscillating 2D peaks exclusively from a spatial trap in a microcavity with an embedded van-der-Waals heterostructure at room temperature. We observe a wide variation of oscillatory phases as a function of spectral position within the 2D spectrum, which suggests the existence of a coupling between the discretized polariton modes. The latter is accompanied by the generation of coherent phonons.

Materials Science↗