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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Er-doped anatase TiO 2 thin films on LaAlO 3 (001) for quantum interconnects (QuICs)

Rare-earth ions (REIs) doped into solid-state crystal hosts offer an attractive platform for realizing quantum interconnects that can function as quantum memories and quantum repeaters. The 4f valence electrons of REIs are shielded by 5s and 5p electrons and undergo highly coherent transitions even when embedded in host crystals. In particular, Er 3+ has an optical transition in the telecom band that is suitable for low-loss communication. Recently, REIs in thin film systems have gained interest due to potential advantages in providing a flexible host crystal environment, enabling scalable on-chip integration with other quantum devices. Here, we investigate the structural and optical properties of Er-doped anatase TiO 2 thin films on LaAlO 3 (001) substrates. By choosing a system with minimal lattice mismatch and adjusting Er-dopant concentration, we achieve optical inhomogeneous linewidths of 5 GHz at 4.5 K. Furthermore, we show that 9 nm-thick buffer and capping layers can reduce the linewidth by more than 40%, suggesting a pathway to further narrowing linewidths in this system. We also identify that Er 3+ ions mainly incorporate into substitutional Ti 4+ sites with non-polar D 2d symmetry, which makes Er dopants insensitive to the first order to local electric fields from impurities and is desirable for coherence properties of Er 3+ spins.

42 ENGINEERING↗
DOE OSTI2025

Synthesis, Crystal Structure, and Optical Properties of the Barium meta -Pertechnetate Ba[TcO 4 ] 2

High-quality single crystals of the colorless title compound Ba[ 99 TcO 4 ] 2 were prepared from radioactive, isotope-pure 99 TcO 2 by oxidation with H 2 O 2 in an aqueous ammonia solution and subsequent cation metathesis using an ion-exchange column. Single-crystal X-ray diffraction revealed Ba[TcO 4 ] 2 to crystallize isotopically to Ba[MnO 4 ] 2 in the orthorhombic space group Fddd with the lattice parameters a = 747.34(5) pm, b = 1244.08(7) pm, and c = 1511.23(9) pm for Z = 8. Its crystal structure features [BaO 12 ] 22- icosahedra surrounded by ten [TcO 4 ] - tetrahedra connected via two edges and eight corners. The optical properties of Ba[TcO 4 ] 2 investigated by UV-vis spectroscopy show the broad O 2- → Tc 7+ ligand-to-metal charge transfer (2p → 4d) process within these discrete [TcO 4 ]- anions at an absorption maximum of around 350 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Insight into the Structural and Emissive Behavior of a Three‐Dimensional Americium(III) Formate Coordination Polymer

Abstract We report the structural, vibrational, and optical properties of americium formate (Am(CHO 2 ) 3 ) crystals synthesized via the in situ hydrolysis of dimethylformamide (DMF). The coordination polymer features Am 3+ ions linked by formate ligands into a three‐dimensional network that is isomorphous to several lanthanide analogs, (e. g., Eu 3+ , Nd 3+ , Tb 3+ ). Structure determination revealed a nine‐coordinate Am 3+ metal center that features a unique local C 3v symmetry. The metal–ligand bonding interactions were investigated by vibrational spectroscopy, natural localized molecular orbital calculations, and the quantum theory of atoms in molecules. The results paint a predominantly ionic bond picture and suggest the metal‐oxygen bonds increase in strength from Nd−O 5 D 1′ → 7 F 0′ emission band is observed and dominates the emission spectrum. This behavior is unusual and is attributed to the C 3v coordination environment of the metal center.

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

Large radial shift experiments in RHIC and their implications for EIC design

The Hadron Storage Ring (HSR) in the future Electron-Ion Collider (EIC) must operate over a broad range of design circumferences. In 2018 preliminary beam studies on the circumference adjustment capabilities of the Relativistic Heavy Ion Collider (RHIC) were performed by applying a small momentum offset to the circulating bunches without adjusting any bending magnets. The off-momentum linear optics were corrected back to on-momentum conditions. Applying a similarly small deviation to the dipole fields of a select set of bending magnets provides a large radial shift over much of the RHIC (or HSR) circumference while leaving the design trajectory unchanged in the insertion regions. Here, this paper presents the design of the different lattice configurations foreseen as the most viable options for the required HSR circumference changes, and highlights the modifications necessary for regular operations and to allow for testing these new settings in RHIC. Experimental results from 2021 and 2022 are reviewed and compared to model predictions obtained from both MAD-X and Bmad. The implications of these results for HSR design are discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Initial Laboratory Measurements Probing Hydrogen Interactions with Eagle Ford Shale and Pyrite: Potential Implications for Subsurface Hydrogen Storage

Hydrogen (H 2 ) has the potential to be a transformative technology as an enabler to a low-carbon future and promoter of renewable energy. When H 2 is injected and stored in the subsurface, it has the potential to interact with the caprock (usually shale) which overlies and seals the storage reservoir. Here, this study examines geochemical reactions or changes in surface morphology to Eagle Ford Shale, a proxy for caprock, upon exposure to H 2 at 50°C and 10.3 MPa. Reactions were also performed with N 2 to provide an experimental control. Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM-EDS), Atomic Force Microscopy (AFM), and Optical Photothermal-Infrared (O-PTIR) Spectroscopy were applied to quantify changes on the microscale and nanoscale level. Fluid chemistry changes were monitored with Ion Chromatography (IC) and Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Exposure of Eagle Ford Shale to H 2 gas alone did not result in any alterations to the shale chemically or any changes in the surface morphology. Exposure of Eagle Ford Shale to both H 2 and water as well as N 2 and water resulted in changes to the surface morphology because of gypsum dissolution and reprecipitation, thus indicating that H 2 is not necessary to promote changes. Pure pyrite was the most reactive with H 2 possibly resulting in a reduction to pyrrhotite. These initial studies suggest that the extent of reactions activated by hydrogen with caprock are minor under the temperature and pressure conditions that would represent underground hydrogen storage.

08 HYDROGEN↗
DOE OSTI2021

Metallic surface doping of metal halide perovskites

Abstract Intentional doping is the core of semiconductor technologies to tune electrical and optical properties of semiconductors for electronic devices, however, it has shown to be a grand challenge for halide perovskites. Here, we show that some metal ions, such as silver, strontium, cerium ions, which exist in the precursors of halide perovskites as impurities, can n-dope the surface of perovskites from being intrinsic to metallic. The low solubility of these ions in halide perovskite crystals excludes the metal impurities to perovskite surfaces, leaving the interior of perovskite crystals intrinsic. Computation shows these metal ions introduce many electronic states close to the conduction band minimum of perovskites and induce n-doping, which is in striking contrast to passivating ions such as potassium and rubidium ion. The discovery of metallic surface doping of perovskites enables new device and material designs that combine the intrinsic interior and heavily doped surface of perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Exploring Causes of Beam Loss at CEBAF

At Jefferson Lab, the Continuous Electron Beam Accelerator (CEBAF) features a unique design with two linear accelerators and two arc sections allowing for multiple turns of the electron beam, as well as four experimental end stations. This topology leads to increased beam losses, especially in the spreader and recombiner regions connecting the arcs to the linacs and in the extraction regions connecting the experimental end stations to the accelerator. These losses result in equipment activation and operational interruptions. Recent upgrades to the facility’s diagnostic systems, including the addition of xenon ion chambers, have provided higher-resolution data regarding these loss events. Building on this improved observational capability, we are developing a simulation framework using optics codes and the Geant4-based BDSIM to model beam extinction and halo formation in these regions. This work aims to correlate simulation results with experimental data to isolate the causes of beam loss and inform future machine tuning strategies. We present a summary of conclusions drawn from recent operational studies and outline a plan to model the beam loss and validate the simulations.

Matthews, C. [Old Dominion Univ., Norfolk, VA (Uni↗
DOE OSTI2026

Near-infrared noise in intense electron bunches

This article investigates electron bunch density fluctuations in the 1 −10 μ⁢m wavelength range, focusing on their impact on coherent electron cooling (CEC) in hadron storage rings. In this study, we compare the shot-noise model with experimental observations using bandwidth-filtered near-infrared optical transition radiation (OTR) photodiode signals, where the transverse bunch size is much larger than the OTR wavelength of interest. The relativistic electron bunch (𝛾 ≈ 50) parameters are close to those proposed for the coherent electron cooler in the electron-ion collider (EIC) project. Preliminary feasibility experiments were conducted, and the noise factors are presented, supported by particle tracking. No major density fluctuations or effective cooling rate decrease were revealed for EIC CEC design parameters. Additionally, longitudinal-space-charge-induced microbunching for the chicane-compressed bunch was observed with coherent OTR enhancements up to 100 times, providing further calibration of the measurement method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Bridging New Observational Capabilities and Process-Level Simulation: Insights into Aerosol Roles in the Earth System

The spatial distribution of ambient aerosol particles significantly impacts aerosol–radiation–cloud interactions, which contribute to the largest uncertainty in global anthropogenic radiative forcing estimations. However, the atmospheric boundary layer and lower free troposphere have not been adequately sampled in terms of spatiotemporal resolution, hindering a comprehensive characterization of various atmospheric processes and impeding our understanding of the Earth system. To address this research data gap, we have leveraged the development of uncrewed aerial systems (UAS) and advanced measurement techniques to obtain mesoscale spatial data on aerosol microphysical and optical properties around the U.S. Southern Great Plains (SGP) atmospheric observatory. Our study also benefits from state-of-the-art laboratory facilities that include three-dimensional molecular imaging techniques enabled by secondary ion mass spectrometry and nanogram-level chemical composition analysis via micronebulization aerosol mass spectrometry. Through our study, we have developed a framework for observation–modeling integration, enabling an examination of how various assumptions about the organic–inorganic components mixing state, inferred from chemical analysis, affect clouds and radiation in observation-constrained model simulations. By integrating observational constraints (derived from offline chemical analysis of the aerosol surface using collected samples) with in situ UAS observations, we have identified a prominent role of organic-enriched nanometer layers located at the surface of aerosol particles in determining profiles of aerosol optical and hygroscopic properties over the SGP observatory. Furthermore, we have improved the agreement between predicted clouds and ground-based cloud lidar measurements. This UAS–model–laboratory integration exemplifies how these new advanced capabilities can significantly enhance our understanding of aerosol–radiation–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Broadband 920-nm mirror thin film damage competition

The 2023 Laser Damage conference thin-film damage competition was devoted to a survey on the state-of-the-art broadband near-IR multilayer dielectric (MLD) mirrors designed for ultra-short pulsed laser applications. The requirements for the coatings were a minimum reflection of 99.5% at 45-deg incidence angle for S-polarization from 830 nm to 1010 nm and group delay dispersion (GDD) < ± 50fs 2 . The participants were allowed to select the coating materials, coating design, and coating deposition method. Samples were damage tested at a single testing facility to enable direct comparison among the participants using a 25 ± 5 fs optical parametric chirped-pulse amplification (OPCPA) laser system operating at 5 Hz. The testing results from this set of 37 samples showed that dense coatings by ion-beam sputtering (IBS), magnetron sputtering (MS), and electron-beam ion assisted deposition (e-beam IAD) exhibited highest damage initiation onset (laser-induced damage threshold or LIDT) while e-beam coatings were low performers. In addition, multilayer coatings using tantala and/or hafnia as high index materials were top performers. Furthermore, this competition included for the first time the measurement of the damage growth onset (laser-induced damage growth threshold or LDGT). This latter performance metric plays an important role in establishing the safe operational conditions for larger aperture ultrashort pulsed lasers. Information pertaining to the morphology of the damage sites and their evolution under subsequent exposure to different laser fluences leading to damage growth is presented. Finally, not all coating samples in the survey met the GDD requirements stated above and associated measurements are discussed in the context of the present and past thin-film damage competitions focused on similar broadband near-IR MLD coatings.

23 broadband high reflectors↗
DOE OSTI2024

Bilayer Ion Trap Design for 2D Arrays

Junctions are fundamental elements that support qubit locomotion in two-dimensional ion trap arrays and enhance connectivity in emerging trapped-ion quantum computers. In surface ion traps they have typically been implemented by shaping radio frequency (RF) electrodes in a single plane to minimize the disturbance to the pseudopotential. However, this method introduces issues related to RF lead routing that can increase power dissipation and the likelihood of voltage breakdown. Here, we propose and simulate a novel two-layer junction design incorporating two perpendicularly rotoreflected (rotated, then reflected) linear ion traps. The traps are vertically separated, and create a trapping potential between their respective planes. The orthogonal orientation of the RF electrodes of each trap relative to the other provides perpendicular axes of confinement that can be used to realize transport in two dimensions. While this design introduces manufacturing and operating challenges, as now two separate structures have to be precisely positioned relative to each other in the vertical direction and optical access from the top is obscured, it obviates the need to route RF leads below the top surface of the trap and eliminates the pseudopotential bumps that occur in typical junctions. Here in this paper the stability of idealized ion transfer in the new configuration is demonstrated, both by solving the Mathieu equation analytically to identify the stable regions and by numerically modeling ion dynamics. Our novel junction layout has the potential to enhance the flexibility of microfabricated ion trap control to enable large-scale trapped-ion quantum computing.

42 ENGINEERING↗
DOE OSTI2022

A SiPM-based optical readout system for the EIC dual-radiator RICH

Silicon photomultipliers (SiPM) are candidates selected as the potential photodetector technology for the dual-radiator Ring-Imaging Cherenkov (dRICH) detector at the future Electron-Ion Collider (EIC). SiPM are cheap devices, highly efficient and insensitive to the high magnetic field at the expected location of the sensors in the experiment. Here, on the other hand, SiPM are not radiation tolerant. Despite the integrated radiation level is expected to be moderate it should be tested whether single photon-counting capabilities and the increase in dark count rate can be kept under control to maintain the optimal dRICH detector performance across the years. The current status of the research for the EIC dRICH application and the first results on studies performed on a sample of commercial and prototype SiPM sensors are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Synthesis, disorder and Ising anisotropy in a new spin liquid candidate PrMgAl 11 O 19

Here we report the successful synthesis of large single crystals of triangular frustrated PrMgAl 11 O 19 using the optical floating zone technique. Single crystal x-ray diffraction (XRD) measurements unveiled the presence of quenched disorder within the mirror plane, specifically ~7% of Pr ions deviating from the ideal 2d site towards the 6h site. Magnetic susceptibility measurements revealed an Ising anisotropy with the c-axis being the easy axis. Despite a large spin–spin interaction that develops below ~10 K and considerable site disorder, the spins do not order or freeze down to at least 50 mK. The availability of large single crystals offers a distinct opportunity to investigate the exotic magnetic state on a triangular lattice with an easy axis out of the plane.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electron Heating in the Transrelativistic Perpendicular Shocks of Tilted Accretion Flows

Abstract General relativistic magnetohydrodynamic (GRMHD) simulations of black hole tilted disks—where the angular momentum of the accretion flow at large distances is misaligned with respect to the black hole spin—commonly display standing shocks within a few to tens of gravitational radii from the black hole. In GRMHD simulations of geometrically thick, optically thin accretion flows, applicable to low-luminosity sources like Sgr A* and M87*, the shocks have transrelativistic speed, moderate plasma beta (the ratio of ion thermal pressure to magnetic pressure is β pi1 ∼ 1–8), and low sonic Mach number (the ratio of shock speed to sound speed is M s ∼ 1–6). We study such shocks with 2D particle-in-cell simulations, and we quantify the efficiency and mechanisms of electron heating for the special case of preshock magnetic fields perpendicular to the shock direction of propagation. We find that the postshock electron temperature T e2 exceeds the adiabatic expectation T e2,ad by an amount T e 2 / T e 2 , ad − 1 ≃ 0.0016 M s 3.6 , nearly independent of the plasma beta and of the preshock electron-to-ion temperature ratio T e1 / T i1 , which we vary from 0.1 to unity. We investigate the heating physics for M s ∼ 5–6 and find that electron superadiabatic heating is governed by magnetic pumping at T e1 / T i1 = 1, whereas heating by B -parallel electric fields (i.e., parallel to the local magnetic field) dominates at T e1 / T i1 = 0.1. Our results provide physically motivated subgrid prescriptions for electron heating at the collisionless shocks seen in GRMHD simulations of black hole accretion flows.

Astronomy & Astrophysics↗
DOE OSTI2023

Ultrafast Jahn‐Teller Photoswitching in Cobalt Single‐Ion Magnets

Abstract Single‐ion magnets (SIMs) constitute the ultimate size limit in the quest for miniaturizing magnetic materials. Several bottlenecks currently hindering breakthroughs in quantum information and communication technologies could be alleviated by new generations of SIMs displaying multifunctionality. Here, ultrafast optical absorption spectroscopy and X‐ray emission spectroscopy are employed to track the photoinduced spin‐state switching of the prototypical complex [Co(terpy) 2 ] 2+ (terpy = 2,2′:6′,2″‐terpyridine) in solution phase. The combined measurements and their analysis supported by density functional theory (DFT), time‐dependent‐DFT (TD‐DFT) and multireference quantum chemistry calculations reveal that the complex undergoes a spin‐state transition from a tetragonally elongated doublet state to a tetragonally compressed quartet state on the femtosecond timescale, i.e., it sustains ultrafast Jahn‐Teller (JT) photoswitching between two different spin multiplicities. Adding new Co‐based complexes as possible contenders in the search for JT photoswitching SIMs will greatly widen the possibilities for implementing magnetic multifunctionality and eventually controlling ultrafast magnetization with optical photons.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Doping- and Strain-Dependent Electrolyte-Gate-Induced Perovskite to Brownmillerite Transformation in Epitaxial La 1– x Sr x CoO 3–δ Films

Much recent attention has focused on the voltage-driven reversible topotactic transformation between the ferromagnetic metallic perovskite (P) SrCoO 3-&delta; and oxygen-vacancy-ordered antiferromagnetic insulating brownmillerite (BM) SrCoO 2.5 . This is emerging as a paradigmatic example of the power of electrochemical gating (using, e.g., ionic liquids/gels), the wide modulation of electronic, magnetic, and optical properties generating clear application potential. SrCoO 3 films are challenging with respect to stability, however, and there has been little exploration of alternate compositions. Here, we present the first study of ion-gel-gating-induced P. BM transformations across almost the entire La 1-x SrxCoO 3 phase diagram (0 ≤ x ≤ 0.70), under both tensile and compressive epitaxial strain. Electronic transport, magnetometry, and operando synchrotron X-ray diffraction establish that voltage-induced P &rarr; BM transformations are possible at essentially all x, including x ≤ 0.50, where both P and BM phases are highly stable. Under small compressive strain, the transformation threshold voltage decreases from approximately +2.7 V at x = 0 to negligible at x = 0.70. Both larger compressive strain and tensile strain induce further threshold voltage lowering, particularly at low x. The P &rarr; BM threshold voltage is thus tunable, via both composition and strain. At x = 0.50, voltage-controlled ferromagnetism, transport, and optical transmittance are then demonstrated, achieving Curie temperature and resistivity modulations of similar to 220 K and at least 5 orders of magnitude, respectively, and enabling estimation of the voltage-dependent Co valence. The results are analyzed in the context of doping- and strain-dependent oxygen vacancy formation energies and diffusion coefficients, establishing that it is thermodynamic factors, not kinetics, that underpin the decrease in the threshold voltage with x, that is, with increasing formal Co valence. These findings substantially advance the practical and mechanistic understanding of this voltage-driven transformation, with fundamental and technological implications.

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

Colloidal Dynamics on a Choreographic Time Crystal

A choreographic time crystal is a dynamic lattice structure in which the points comprising the lattice move in a coordinated fashion. These structures were initially proposed for understanding the motion of synchronized satellite swarms. Using simulations, we examine colloids interacting with a choreographic crystal consisting of traps that could be created optically. As a function of the trap strength, speed, and colloidal filling fraction, we identify a series of phases including states where the colloids organize into a dynamic chiral loop lattice as well as a frustrated induced liquid state and a choreographic lattice state. We show that transitions between these states can be understood in terms of vertex frustration effects that occur during a certain portion of the choreographic cycle. Overall, our results can be generalized to a broader class of systems of particles coupled to choreographic structures, such as vortices, ions, cold atoms, and soft matter systems.

36 MATERIALS SCIENCE↗