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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Improving Aerosol Radiative Forcing and Climate in E3SM: Impacts of New Cloud Microphysics and Improved Wet Removal Treatments

Abstract Numerous Earth system models exhibit excessive aerosol effective forcing at the top of the atmosphere (TOA), including the Department of Energy's Energy Exascale Earth System Model (E3SM). Here, in the context of the E3SM version 3 effort, the predicted particle property (P3) stratiform cloud microphysics scheme and an enhanced deep convection parameterization suite (ZM_plus) are implemented into E3SM. The ZM_plus includes a convective cloud microphysics scheme, a multi‐scale coherent structure parameterization for mesoscale convective systems, and a revised cloud base mass flux formulation considering impacts of the large‐scale environment. The P3 scheme improved cloud and radiation particularly over the Northern Hemisphere and the frequency of heavy precipitation over the tropics, and the ZM_plus improved clouds in the tropics. P3 decreases aerosol effective forcing by 0.15 W m −2 , while the ZM_plus increases it by 0.27 W m −2 , resulting from excessive direct (0.31 W m −2 ) and indirect forcing (−1.79 W m −2 ). The excessive aerosol forcings are due to aerosol overestimation associated with insufficient aerosol wet removal. By improving the physical treatments in the aerosol wet removal, we effectively mitigate anthropogenic aerosol overestimation and thus attenuate direct (0.09 W m −2 ) and indirect aerosol forcing (−1.52 W m −2 ). Adjustment to primary organic matter hygroscopicity reduces direct and indirect forcing to more reasonable values: −0.13 W m −2 and −1.31 W m −2 , respectively. On climatology, improved aerosol treatments mitigate overestimation of aerosol optical depth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Aerosol Vertical Turbulent Mass Flux Retrievals Through Novel Remote Sensing Algorithm

Abstract Integrated measurements of aerosol, radiation, cloud, and turbulent transport in the planetary boundary layer (PBL) are essential for understanding and modeling climate and air quality. Here, we developed a new technique for the identification of convective turbulent regions and deriving the vertical distribution of aerosol turbulent mass fluxes within PBL. The algorithm uses retrievals from coherent Doppler lidars and a high spectral resolution lidar. The technique was applied to study particle mass fluxes over 2 months (November–December 2020) during the campaign conducted at the DOE Atmospheric Radiation Measurement Southern Great Plains (SGP) site in Lamont, Oklahoma. The algorithm developed here is capable of continuously deriving vertically resolved (curtains) aerosol mass fluxes. Our data analysis shows that at the site, the 30‐min averaged fluxes at 135 m above the surface were mainly positive (upward) at ∼1 μg m −2 s −1 , suggesting that the surface is the primary source of the particle mass supplied to the boundary layer at the SGP site. Analyses of the individual case studies have revealed that not all the derived fluxes can be linked to surface emissions. Both positive and negative values in a range of ±5 μg m −2 s −1 can be caused by convective thermals interacting between the residual layer and the mixed layer and by rotation of the horizontal wind with the height. Large erroneous negative fluxes can also be caused by drizzling/precipitating clouds. We anticipate that the application of the current technique will lead to a more realistic representation of aerosol mass budgets and bidirectional mixing rates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Multiscale evolution of charmed particles in a nuclear medium

Parton energy-momentum exchange with the quark gluon plasma (QGP) is a multiscale problem. In this work, we calculate the interaction of charm quarks with the QGP within the higher twist formalism at high virtuality and high energy using the Modular All Twist Transverse-scattering Elastic-drag and Radiation (MATTER) model, while the low-virtuality and high-energy portion is treated via a linearized Boltzmann transport formalism. Coherence effect that reduces the medium-induced emission rate in the MATTER model is also taken into account through a virtuality-dependent qˆ, leaving the simultaneous dependence of qˆ on heavy quark mass and virtuality for future studies. The interplay between these two formalisms is studied phenomenologically and used to produce a first description of the D-meson and charged hadron nuclear modification factor R AA across multiple centralities. As a result, all calculations were carried out utilizing the Jet Energy-loss Tomography with a Statistically and Computationally Advanced Program Envelope framework.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes

The photoreaction and commensurate structural changes of a chromophore within biological photoreceptors elicit conformational transitions of the protein promoting the switch between deactivated and activated states. We investigated how this coupling is achieved in a bacterial phytochrome variant, Agp2-PAiRFP2. Contrary to classical protein crystallography, which only allows probing (cryo-trapped) stable states, we have used time-resolved serial femtosecond x-ray crystallography (tr-SFX) and pump-probe techniques with various illumination and delay times with respect to photoexcitation of the parent Pfr state. Thus, structural data for seven time frames were sorted into groups of molecular events along the reaction coordinate. They range from chromophore isomerization to the formation of Meta-F, the intermediate that precedes the functional relevant secondary structure transition of the tongue. Structural data for the early events were used to calculate the photoisomerization pathway to complement the experimental data. Late events allow identifying the molecular switch that is linked to the intramolecular proton transfer as a prerequisite for the following structural transitions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Manipulating and Probing Ultrafast Atomic and Molecular Dynamics (Final Report)

This program has focused on the exploration and control of dynamics in atoms, small molecules, clusters, and micro- or nano-structures following ultrafast excitation and/or driven by strong oscillating fields. In our principal experiments, gas phase atoms and molecules were exposed to short pulses of electromagnetic radiation with frequencies ranging from THz into the XUV spectral regions, and with durations from picoseconds to attoseconds. The pulses coherently induce and/or probe dynamics in the electronic, vibrational, and rotational degrees of freedom of the targets. The overarching goal of the various projects has been to exploit strong-field processes and/or implement novel ultrafast techniques for manipulating and probing coherent electronic and nuclear motion. Typically, the relevant system evolution occurs over attosecond to picosecond timescales. In doing so, we have gained a more complete picture of correlated multi-particle dynamics in atoms, molecules, and other complex systems and expanded the toolbox of useful techniques for manipulating and probing those dynamics. Grant funds were primarily used to: (i) pay salaries and fringe benefits for the PI and postdocs and stipends, tuition, and health care costs for graduate students; (ii) cover travel expenses for the PI, postdocs, and students to attend and participate in professional meetings, conferences, and workshops; and (iii) purchase research materials, supplies, and equipment required for experiments. The research resulted in the publication of 24 peer reviewed articles (including 1 in Nature Physics, 2 in Nature Communications, 7 in Physical Review Letters, and 12 in Physical Review A), and 4 PhD dissertations. The specific results from different funding periods are summarized separately in the main report.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Coherent Magnon–Photon Coupling in the Magnetic Semiconductor CrSBr

Magnon-based hybrid quantum systems are promising candidates for quantum interconnects and quantum sensors, and they offer a rich platform for exploring nonlinear magnonics and cavity–photon interactions. Two-dimensional (2D) van der Waals magnets provide a compact, atomically flat geometry that can be easily integrated into existing quantum circuits, such as superconducting resonators and qubits. Among various 2D magnets, the magnetic semiconductor CrSBr is particularly unique due to its strong spin–exciton, spin–lattice, and magnon–exciton interactions. In this work, we demonstrate coherent coupling between antiferromagnetic (AFM) magnons in CrSBr and microwave photons in a niobium-(Nb)-based-on-chip resonator. We tuned the magnon–photon coupling strength by changing the number of CrSBr flakes integrated into the Nb microwave photon resonators. Furthermore, this work demonstrates the first step toward integrating layered van der Waals 2D magnets into superconducting microwave circuits, with full access for microwave and optical probing.

Electromagnetic radiation↗
DOE OSTI2023

Space-Time Quantum Information from the Entangled States of Magnetic Molecule (STI Product)

This collaborative project combines synthesis, measurement, and theory by three faculty members at the Eddleman Quantum Institute of UC Irvine to effectively investigate the quantum properties of molecules in the space, time, and frequency domains. Through synthetic chemistry, molecules are tailored for their magnetic and coherent properties. By combining femtosecond (fs) terahertz (THz) light and a continuous wave (cw) THz laser with a low temperature scanning tunneling microscope (STM), quantum phenomena are probed with simultaneous femtosecond temporal and atomic-scale spatial resolution. In particular, the invention of the quantum superposition microscope (QSM) advances quantum sensing for enhanced spectroscopy and imaging capabilities. Coupling theory to the experimental efforts offers a deeper understanding and predictive power for the molecular systems. The phenomena of superposition, entanglement, and coherence is central to quantum information science and can be realized in qubit states. Many systems can be modeled by a double-well potential in which two levels are formed in the two lowest energy states interacting with the environment and external radiation. In focusing on molecules as two-level systems, the underlying expectation is that their tunable composition and structure allows an effective parameter space to optimize their use as qubits for quantum sensing and computing. The THz radiation induces the superposition between the two states, appearing as temporal oscillations that damp in amplitude. Enhanced spectroscopy and imaging in the time and frequency domains is achieved through the extreme sensitivity of the frequency and damping of coherence of two-level systems to its environment. A single hydrogen molecule trapped in the STM tunneling gap experiences a double-well potential and absorption of THz femtosecond pulses of light creates the superposition of its two levels, appearing as damped oscillations in the light induced direct current (DC). The oscillation frequency depends sensitively on the electric field distribution of the copper nitride (Cu 2 N) surface, through the Stark effect, and associated with the different charge distributions at the copper and nitrogen sites and in between. This QSM can resolve variation in the surface electric field with 0.02 nanometer resolution. In addition, the single hydrogen molecule entaes with nearby hydrogen molecules as seen in the avoided level crossings of energy (oscillation frequency) versus the voltage across the tunneling gap. Thus, the first application of the QSM senses and images the surface electric field at the atomic scale. Results from this project advance fundamental understanding of quantum phenomena, develop novel synthesis, measurement, and theory, provide the knowledge foundation for molecule-based qubits and sensing that enable the development of the QSM and emergent technologies. This project trained researchers in quantum information science, extended knowledge in classrooms, and outreached to the community.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Modeling phonon-mediated quasiparticle poisoning in superconducting qubit arrays

Correlated errors caused by ionizing radiation impacting superconducting qubit chips are problematic for quantum error correction. Such impacts generate quasiparticle (QP) excitations in the qubit electrodes, which temporarily reduce qubit coherence significantly. The many energetic phonons produced by a particle impact travel efficiently throughout the device substrate and generate quasiparticles with high probability, thus causing errors on a large fraction of the qubits in an array simultaneously. Here, we describe a comprehensive strategy for the numerical simulation of the phonon and quasiparticle dynamics in the aftermath of an impact. We compare the simulations with experimental measurements of phonon-mediated QP poisoning and demonstrate that our modeling captures the spatial and temporal footprint of the QP poisoning for various configurations of phonon downconversion structures. We thus present a path forward for the operation of superconducting quantum processors in the presence of ionizing radiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Coherent control of asymmetric spintronic terahertz emission from two-dimensional hybrid metal halides

Abstract Next-generation terahertz (THz) sources demand lightweight, low-cost, defect-tolerant, and robust components with synergistic, tunable capabilities. However, a paucity of materials systems simultaneously possessing these desirable attributes and functionalities has made device realization difficult. Here we report the observation of asymmetric spintronic-THz radiation in Two-Dimensional Hybrid Metal Halides (2D-HMH) interfaced with a ferromagnetic metal, produced by ultrafast spin current under femtosecond laser excitation. The generated THz radiation exhibits an asymmetric intensity toward forward and backward emission direction whose directionality can be mutually controlled by the direction of applied magnetic field and linear polarization of the laser pulse. Our work demonstrates the capability for the coherent control of THz emission from 2D-HMHs, enabling their promising applications on the ultrafast timescale as solution-processed material candidates for future THz emitters.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Increased spatial coherence length from an asymmetric crystal reflection at grazing exit

Coherent X-ray imaging is an active field at synchrotron sources. The images rely on the available coherent flux over a limited field of view. At many synchrotron beamlines a double-crystal monochromator (DCM) is employed in a standard nondispersive arrangement. For coherent diffraction imaging it is advantageous to increase the available field of view by increasing the spatial coherence length (SCL) of a beam exiting such a DCM. Here, Talbot interferometry data together with ray-tracing simulations for a (+ − − +) four-reflection experimental arrangement are presented, wherein the first two reflections are in the DCM and the final fourth reflection is asymmetric at grazing exit. Analyses of the interferometry data combined with the simulations show that compared with the beam exiting the DCM a gain of 76% in the SCL was achieved, albeit with a factor of 20 reduction in flux density, which may not be a severe penalty at a synchrotron beamline. Previous efforts reported in the literature to increase the SCL that employed asymmetric crystal diffraction at grazing incidence are also discussed. A much reduced SCL is found presently in simulations wherein the same asymmetric crystal is set for grazing incidence instead of grazing exit. In addition, the present study is compared and contrasted with two other means of increasing the SCL. These are (i) focusing the beam onto an aperture to act as a secondary source, and (ii) allowing the beam to propagate in vacuum an additional distance along the beamline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

How Does Metal Spin State Affect Electronic Communication in Mixed-Valence Dimers? Insights from Ultrafast Near-Infrared and Soft X-ray Transient Absorption Spectroscopy

Recent advancements in photocatalysis, photovoltaics, and quantum information science take advantage of electron spin, and determining how spin multiplicity affects electron transfer is key to understanding these phenomena. Here, in this study, we examine how metal spin state affects electronic communication in an organometallic mixed-valence dimer, ferrocenyl cobaltocenium ([Fe II Cp 2 Co III Cp 2 ] + ). This complex can be photoexcited from its low-spin singlet Fe II ground state to form intermediate-spin triplet Fe II and high-spin quintet Fe II excited states. Using femtosecond optical transient absorption (OTA) spectroscopy with visible (vis), near-infrared (NIR), and short-wave IR (SWIR) probes, supported by time-dependent density functional theory (TD-DFT) calculations, we measure Fe II Co III →Fe III Co II intervalence charge transfer (IVCT) bands in each of the Fe II spin states. Mulliken–Hush analysis of the excited-state IVCT bands was used to compute the electronic coupling between the metal centers in all three spin states, which increased as quintet < triplet < singlet. Meanwhile, the peak energy of the bands, and thus the ΔG of the IVCT transition, increased as triplet < quintet < singlet. Then, to directly probe the electronic structure at each metal center, we employed picosecond soft X-ray transient absorption (XTA) spectroscopy at the Fe and Co L 3 edges. Our results show that the low-spin and high-spin states of [Fe II Cp 2 Co III Cp 2 ] + are valence-localized, while the intermediate-spin state is partially delocalized. The differences in charge delocalization are attributed to differences in orbital occupation and geometry that affect the free energy and superexchange coupling.

Burke, John H. [Univ. of Illinois at Urbana-Champa↗
DOE OSTI2025

A Flat Analyzer Polycapillary Spectrometer for X-ray Absorption Spectroscopy of Dilute Transition Metals at X-ray-Free Electron Lasers

X-ray absorption spectroscopy (XAS) coupled with highly intense pulses from an X-ray-free electron laser (XFEL) can be used to track ultrafast chemical dynamics. Nonetheless, measurements for dilute samples (≤1 mM) have been exceptionally challenging, as scattering background signals dominate over the sample’s X-ray fluorescence. We show that femtosecond time-resolved XAS measurements of sub-millimolar transition metal solutions are now possible at the Linac Coherent Light Source (LCLS) using a high-throughput polycapillary XAS spectrometer, designed, developed, and commissioned at LCLS and the Stanford Synchrotron Radiation Lightsource (SSRL). The instrument integrates three polycapillary optics that collect and collimate X-ray fluorescence emitted from the interaction point with a high solid angle. X-ray collimated fluorescence is then selectively diffracted by coupled graphite analyzer crystals. As a result, the contribution of scattered photons is suppressed. Experiments at the Pt L 3 -edge on 0.1 mM aqueous K 2 PtCl 6 (delivered via a 100 μm liquid jet) were successfully performed in the laser pump X-ray probe configuration at the LCLS XCS and XPP instruments. We report the transient spectra of hexachloroplatinate within the first 10 ps after a 266 nm photoexcitation. We observed a short-lived reduced intermediate (≈2 ps). The polycapillary X-ray spectrometer at LCLS now enables the efficient study of the dynamics of ultradilute transition metals in solution. This capability opens the door to investigating plasmonic systems, photocatalysts, enzymes, and other scarce and dilute samples.

LCLS↗
DOE OSTI2021

Linear polarization–direction correlations in $\gamma $-ray scattering experiments

Scattering measurements with incident linearly polarized γ rays provide information on spins, parities, and γ-ray multipolarity mixing coefficients, and, therefore, on the nuclear matrix elements involved in the transitions. Here, we present the general formalism for analyzing the observed angular correlations. The expressions are used to compute three-dimensional radiation patterns, which are important tools for optimizing experimental setups. Frequently, γ-ray transitions can proceed via two multipolarities that mix coherently. In such cases, the relative phases of the nuclear matrix elements are important when comparing results from different measurements. We discuss different phase conventions that have been used in the literature and present their relationships. Finally, we propose a basic experimental geometry consisting of detectors located at four different spatial locations. For this geometry, we present the measured anisotropies of the emitted γ rays in graphical format as an aid in the data analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Superconducting qubits for particle detection and fundamental tests of quantum mechanics

Many fundamental questions at the interface of quantum mechanics, gravity, and measurement remain relatively unexplored in the laboratory. These include whether spatial superpositions experience gravitational redshift, how the quantum Zeno effect propagates through entangled systems, and whether quantum information is globally conserved or fundamentally lost during measurement-induced wavefunction collapse. In this colloquium, I will discuss how superconducting qubits—developed primarily for quantum computing—can be repurposed as ultra sensitive detectors to probe these questions and to search for low-energy particle interactions. I will describe my work at Fermilab on stabilizing these devices to the level required for next-generation qubit-based sensors. This includes mitigating decoherence from infrared radiation and cosmic rays, using machine-learning techniques to accelerate superconducting qubit design, and leveraging the quantum Zeno effect to improve coherence times and suppress qubit frequency fluctuations. Together, these advances point toward a new class of quantum sensors capable of testing fundamental physics.

Seidel, Olivia [Fermilab]↗
DOE OSTI2023

Dark and bright modes, and their coherent control in dipolar metasurface bilayers

Several plasmonic nanoparticles supporting dipolar resonances can couple to form normal modes. Here, we develop an analytical model to explain the formation of nonradiative “dark” and radiative “bright” modes through radiative coupling in bilayers consisting of dipolar nanoantenna arrays that are separated by a subwavelength distance. We also include near-field contributions in our model and show that the absorption and reflectance spectra obtained from our model agree reasonably well with the respective finite-difference time-domain simulation results for both perfectly aligned and misaligned bilayers. Here, the ability to vary the reflection and absorption spectra of these bilayers by changing the material and geometrical parameters has potential applications in the design of efficient spectral filters. We also show that we can selectively excite these modes by adjusting the phase between two counterpropagating normally incident fields, which has applications in all-optical modulators and switches based on purely linear interferometric effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

UNLOQ: UNderstanding coherence in Light-matter interfaces for Quantum Science (Final Technical Report)

The general goal of this project is to prepare next-generation quantum systems for novel quantum information science applications. Decades of research on quantum optics have provided revolutionary systems for manipulating atomic and photonic quantum coherence in transformative ways. Our hypothesis is that the next-generation quantum systems will come from nano-molecular quantum optics. Specifically, we are interested in coupling the electronic states of molecules or nanoparticles to the quantized radiation field inside an optical cavity to create a set of new photon-matter hybrid excitations, called polaritons. As opposed to atoms, the vibrational modes of molecules and nanoparticles provide new degrees of freedom to mediate the quantum transduction between electronic and photonic states, offering new ways to tune and ultimately control the quantum coherence of the integrated system. In this project we are interested in designing, fabricating, and characterizing the polaritons that arise from coupling CdSe nanoplatelets (NPLs) to a Fabry-Pérot optical cavity. Specific attention was paid to parameters of the system (cavity mode volume, quality factor, etc.) that would maximize the collective coupling strength. Through a combined theoretical and experimental approach, we were able to make important contributions to understanding NPL exciton-polariton photophysics including how to use cavity loss as a tunable parameter in order to manipulate the populations of the upper and lower polariton states. Finally, using state-of-the-art theoretical methods, we were able to show how the collective coupling of many molecular excitons in a cavity can protect polariton coherence from vibrationally-induced decoherence. In particular, for NPL-cavity polaritonic systems, the quantum coherence can be extended by over an order of magnitude at room temperature.

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

Laser-Produced Coherent X-ray Sources. Final report

This is the final report for the DOE-AMO DE-FG02-05ER15663 grant. Using a high-peak-power laser system at the Extreme Light Laboratory of the University of Nebraska-Lincoln, we develop novel femtosecond radiation sources and use them to investigate ultrafast photo-induced processes. Pulses of high energy electrons and x-rays are generated when an optical pulse is focused to ultra-high intensity. The radiation is used to probe the evolution of matter under highly non-equilibrium conditions with atomic-scale temporal and spatial resolution. Moreover, the facility is small enough to fit in a university laboratory and is operated by graduate students and postdocs.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Design, fabrication, and testing of diamond axicons for X-ray microscopy applications

This work presents the design, fabrication, and experimental validation of a refractive diamond axicon for X-ray beam shaping. The diamond axicon was developed to overcome the limitations of polymer-based axicons particularly for application in Transmission X-ray Microscopy (TXM) systems, offering superior mechanical strength, thermal stability, and radiation resistance, making it ideal for synchrotron applications. The axicon was fabricated using femtosecond laser ablation and tested at 11 keV under various coherence conditions. Results demonstrated that the axicon efficiently transformed the X-ray beam into a ring-shaped profile with over 80% transmission. Simulations confirmed the experimental findings and highlighted the potential for further improvements. This work paves the way for the use of diamond axicons in next-generation synchrotron facilities, with future efforts focusing on optimizing fabrication and testing the axicon in full TXM systems.

Samadi, Nazanin↗