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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Editors’ Choice—Natural Convection Boundary Layer Thickness at Elevated Chloride Concentrations and Temperatures and the Effects on a Galvanic Couple

The natural convection boundary layer ( δ n c ) and its influence on cathodic current in a galvanic couple under varying electrolytes as a function of concentration (1 − 5.3 M NaCl) and temperature (25 °C−45 °C) were understood. Polarization scans were obtained under quiescent conditions and at defined boundary layer thicknesses using a rotating disk electrode on platinum and stainless steel 304L (SS304L); these were combined to determine δ n c . With increasing chloride concentration and temperature, δ n c decreased. Increased mass transport (Sherwood number) results in a decrease in δ n c , providing a means to predict this important boundary. Using Finite Element Modeling, the cathodic current was calculated for an aluminum alloy/SS304L galvanic couple as a function of water layer ( WL ) thickness and cathode length. Electrolyte domains were delineated, describing (i) dominance of ohmic resistance over mass transport under thin WL , (ii) the transition from thin film to bulk conditions at δ n c , and (iii) dominance of mass transport under thick WL . With increasing chloride concentration, cathodic current decreased due to decreases in mass transport. With increasing temperature, increased cathodic current was related to increases in mass transport and solution conductivity. This study has implications for sample sizing and corrosion prediction under changing environments.

25 ENERGY STORAGE↗
DOE OSTI2025

Solenoidal Fields from Permanent Magnets for a Polarized Electron Preinjector

This technical note describes the design of a compact focusing solenoid constructed from permanent bar magnets, intended for the low-energy section of a spin-polarized electron injector. Typically, quadrupole triplets provide appropriate focusing for the low-energy spin rotator section; however, their large footprint precludes the insertion of sufficient beam diagnostics. The primary motivation of this study is to provide beam focusing while preserving the vertical spin orientation of the electron beam. We propose a solenoidal field composed of multiple permanent magnets arranged to naturally yield a zero longitudinal magnetic field integral ($\int B_zdz = 0$). This design serves as a compact, passive, and non-coupling alternative to traditional quadrupole triplets. We present the magnet arrangement, field calculation methodology, spin tracking simulations using space charge codes, and calculations demonstrating that the required field strength is achievable.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Periodic Gamma-Ray Modulation of the Blazar PG 1553+113 Confirmed by Fermi-LAT and Multiwavelength Observations

A 2.1 yr periodic oscillation of the gamma-ray flux from the blazar PG 1553+113 has previously been tentatively identified in ∼7 yr of data from the Fermi Large Area Telescope. After 15 yr of Fermi sky-survey observations, doubling the total time range, we report >7 cycle gamma-ray modulation with an estimated significance of 4σ against stochastic red noise. Independent determinations of oscillation period and phase in the earlier and the new data are in close agreement (chance probability <0.01). Pulse timing over the full light curve is also consistent with a coherent periodicity. Multiwavelength new data from Swift X-Ray Telescope, Burst Alert Telescope, and UVOT, and from KAIT, Catalina Sky Survey, All-Sky Automated Survey for Supernovae, and Owens Valley Radio Observatory ground-based observatories as well as archival Rossi X-Ray Timing Explorer satellite-All Sky Monitor data, published optical data of Tuorla, and optical historical Harvard plates data are included in our work. Optical and radio light curves show clear correlations with the gamma-ray modulation, possibly with a nonconstant time lag for the radio flux. We interpret the gamma-ray periodicity as possibly arising from a pulsational accretion flow in a sub-parsec binary supermassive black hole system of elevated mass ratio, with orbital modulation of the supplied material and energy in the jet. Other astrophysical scenarios introduced include instabilities, disk and jet precession, rotation or nutation, and perturbations by massive stars or intermediate-mass black holes in polar orbit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Atomistic insight into the ferroelastic post-stishovite transition by high-pressure single-crystal X-ray diffraction

Abstract The post-stishovite transition is a classic pseudo-proper typed ferroelastic transition with a symmetry-breaking spontaneous strain. This transition has been studied using high-pressure spontaneous strains, optic modes, and elastic moduli (Cij) based on the Landau modeling, but its atomistic information and structural distortion remain poorly understood. Here we have conducted synchrotron single-crystal X-ray diffraction measurements on stishovite crystals up to 75.3 GPa in a diamond-anvil cell. Analysis of the data reveals atomic positions, bond lengths, bond angles, and variations of SiO6 octahedra across the transition at high pressure. Our results show that the O coordinates split at ~51.4 GPa, where the apical and equatorial Si-O bond lengths cross over, the SiO6 octahedral distortion vanishes, and the SiO6 octahedra start to rotate about the c axis. Moreover, distortion mode analysis shows that an in-plane stretching distortion (GM1+ mode) occurs in the stishovite structure at high pressure while a rotational distortion (GM2+ mode) becomes dominant in the post-stishovite structure. These results are used to correlate with elastic moduli and Landau parameters (symmetry-breaking strain e1–e2 and order parameter Q) to provide atomistic insight into the ferroelastic transition. When the bond lengths of two Si-O bonds are equal due to the contribution from the GM1+ stretching mode, C11 converges with C12, and the shear wave VS1[110] polarizing along [110] and propagating along [110] vanishes. Values of e1–e2 and Q are proportional to the SiO6 rotation angle from the occurrence of the GM1+ rotational mode in the post-stishovite structure. Our results on the pseudo-proper type transition are also compared with that for the proper type in albite and improper type in CaSiO3 perovskite. The symmetry-breaking strain, in all these types of transitions, arises as the primary effect from the structural angle (such as SiO6 rotation or lattice constant angle) and its relevant distortion mode in the low-symmetry ferroelastic phase.

Geochemistry & Geophysics↗
DOE OSTI2020

THz-range Faraday rotation in the Weyl semimetal candidate Co 2 TiGe

The Co 2 family of ferromagnetic Heusler alloys has attracted interest due to their fully spin-polarized nature, making them ideal for applications in spintronic devices. More recently, the existence of room temperature time-reversal-breaking Weyl nodes near the Fermi level was predicted and confirmed in these systems. As a result of the presence of these Weyl nodes, these systems possess a non-zero momentum space Berry curvature that can dramatically influence transport properties such as the anomalous Hall effect. One of these candidate compounds is Co 2 TiGe. Recently, high-quality molecular beam epitaxy-grown thin films of Co 2 TiGe have become available. In this work, we present a THz-range measurement of MBE-grown Co 2 TiGe films. We measure the THz-range Faraday rotation, which can be understood as a measure of the anomalous Hall effect. We supplement this work with electronic band-structure calculations showing that the principal contribution to the anomalous Hall effect in this material stems from the Berry curvature of the material. Overall, our work shows that this class of Heusler materials shows promise for Weyl semimetal based spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Optical cycling on thorium monoxide for an improved test of fundamental symmetries

Optical cycling refers to repeated excitation and spontaneous emission on an electronic transition in an atom or molecule. Optical cycling in molecules can enable a wide range of quantum control and readout techniques, but unfortunately it has only been demonstrated on a small class of alkalilike or alkaline-earth-like molecules. Thorium monoxide (ThO), a molecule used in one of the most precise permanent electron electric dipole moment (eEDM) searches (ACME†) [Andreev et al., Nature (London) 562, 355 (2018)], does not fall into this category. In this work, we demonstrate the first optical cycling on this nonconventional class over a range of experimental parameter space, including laser intensity, polarization switching rate, and interaction time. We show that both the 𝐽 = 1 and 𝐽 = 2 rotational levels of ThO molecule are capable of cycling an average of 11(2) photons with a single laser, at scattering rates of 1.9⁢(6) × 10 6 and 2.3⁢(7) × 10 6 s −1 , respectively, before population is lost to other vibronic levels. We outline a scheme to apply this demonstrated optical cycling in an ACME-style eEDM measurement, improving the detection efficiency by over fourfold compared to noncycling fluorescence detection. This would lead to over a twofold enhancement in the statistical sensitivity of the eEDM search. This optical-cycling scheme can be further extended to scatter ∼100 photons, which would enable a wider range of quantum control and sensing using ThO molecules.

Atomic & molecular processes in external fields↗
DOE OSTI2025

Porous transport electrodes for oxygen evolution reaction in proton exchange membrane water electrolysis -cells: Materials, designs, and diagnoses

H 2 production using proton exchange membrane (PEM) water electrolysis (PEMWE) cells has received considerable attention because of the high efficiencies of these cells and no harmful emissions from the related process. In PEMWE cells, porous transport electrodes (PTEs) composed of a catalyst layer (CL) comprising O 2 evolution reaction (OER) catalysts, porous transport layer (PTL), and PEM play key roles in the stack performance and lifetime. Herein, Ir-based and non-precious-metal OER catalysts that are highly active and stable at low pH values and high anodic potentials are reviewed to understand their OER mechanisms. Various strategies are proposed for engineering CLs and PTLs to improve the interfacial properties and mass transfers of reactants and products to and from the active sites. Additionally, diagnoses of PTEs is significantly crucial for interpreting electrochemical processes and addressing their current challenges. Therefore, half-cell analyses, including diffusion electrode (DE), floating electrode (FE), and modified rotating disk electrode (MRDE) techniques, are explored, and membrane electrode assembly (MEA)-based analyses, such as the polarization technique, electrochemical impedance spectroscopy, and magnetic field analysis, are established. In conclusion, this study aims to provide an overview of recent technologies used for the engineering and diagnostic tools of PEMWE cells and insights into the advanced components and systems to be developed in this field.

Diagnosis of PEMWE Cells↗
DOE OSTI2023

Dipolar spin-exchange and entanglement between molecules in an optical tweezer array

Ultracold polar molecules are promising candidate qubits for quantum computing and quantum simulations. Their long-lived molecular rotational states form robust qubits, and the long-range dipolar interaction between molecules provides quantum entanglement. In this work, we demonstrate dipolar spin-exchange interactions between single calcium monofluoride (CaF) molecules trapped in an optical tweezer array. We realized the spin- 1 2 quantum XY model by encoding an effective spin- 1 2 system into the rotational states of the molecules and used it to generate a Bell state through an iSWAP operation. Conditioned on the verified existence of molecules in both tweezers at the end of the measurement, we obtained a Bell state fidelity of 0.89(6). Using interleaved tweezer arrays, we demonstrate single-site molecular addressability.

Science & Technology - Other Topics↗
DOE OSTI2021

BVR{sub c}I{sub c} Observations, Third-body Orbital Study, and Analysis of the UV Leo-type, Pre-W UMA Binary V642 Virginis

V642 Vir is a polar spotted, well-detached, UV Leo-type, low-mass, pre-WUMa (T1 ~ 4250K, ~K6V) eclipsing binary. It was observed in 2020 April, May, and June at the Dark Sky Observatory in North Carolina, USA with the 0.81 m reflector of Appalachian State University. A total of 88 timings were used in our 22-year period study which included 12 Transiting Exoplanet Survey Satellite (TESS) timings. The O - C plots show a low-amplitude oscillation of residuals that points to the existence of an orbiting third body, a dwarf of minimum mass, 0.15 M {sub ⊙} in an eccentric orbit (e = 0.41), with an orbital period of 20.07 yr. The odd light curves of V642 Virginis indicate that it has polar spots similar to UV Leo and the recently published V1023 Per. Its present large polar spot region indicates that it must have a strong magnetic field and that it is synchronously rotating. The BVR{sub c}I{sub c} simultaneous Wilson–Devinney Program solution gives a detached binary (primary and secondary components are underfilling their respective Roche Lobes, with 76% and 78% fill outs respectively). The cool spot region models near the pole of the primary component (centered at 10° colatitude) and is angled toward the secondary component. Its large radius (68°) and T-fact (T{sub spot}/T{sub surface} = 0.69) also attest to the conclusion of the strength of the magnetic field. The small ΔT in the components (~318 K) and mass ratio near unity (0.9542 ± 0.0005) show that the stars are similar in spectral type (secondary ~K9V). The inclination is high, ~86.87 ± 0.04°, yet there is no time of constant light due to the two stars’ essentially equal radii.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Coriolis forces modify magnetostatic ponderomotive potentials

It is possible to produce a ponderomotive effect in a plasma system without time-varying fields, if the plasma flows over spatial oscillations in the field. This can be achieved by superimposing a spatially oscillatory perturbation on a guide field, then setting up an electric field perpendicular to the guide field to drive flow over the perturbation. However, subtle distinctions in the structure of the resulting electric field can entirely change the behavior of the resulting ponderomotive force. Previous work has shown that, in slab models, these distinctions can be explained in terms of the polarization of the effective wave that appears in the co-moving frame. Here, we consider what happens to this picture in a cylindrical system, where the transformation to the co-moving (rotating) frame is not inertial. It turns out that the non-inertial nature of this frame transformation can lead to counterintuitive behavior, partly due to the appearance of parallel (magnetic-field-aligned) electric fields in the rotating frame even in cases where none existed in the laboratory frame. Apart from the academic interest of this study, the practical impact lies in being better able to anticipate the antenna configuration on the plasma periphery of a cylindrical plasma that will lead to optimal ponderomotive barrier formation in the interior plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Tunable Nanoscale Evolution and Topological Phase Transitions of a Polar Vortex Supercrystal

Here, understanding the phase transitions and domain evolutions of mesoscale topological structures in ferroic materials is critical to realizing their potential applications in next-generation high-performance storage devices. Here, the behaviors of a mesoscale supercrystal are studied with 3D nanoscale periodicity and rotational topology phases in a PbTiO 3 /SrTiO 3 (PTO/STO) superlattice under thermal and electrical stimuli using a combination of phase-field simulations and X-ray diffraction experiments. A phase diagram of temperature versus polar state is constructed, showing the formation of the supercrystal from a mixed vortex and α-twin state and a temperature-dependent erasing process of a supercrystal returning to a classical α-twin structure. Under an in-plane electric field bias at room temperature, the vortex topology of the supercrystal irreversibly transforms to a new type of stripe-like supercrystal. Under an out-of-plane electric field, the vortices inside the supercrystal undergo a topological phase transition to polar skyrmions. These results demonstrate the potential for the on-demand manipulation of polar topology and transformations in supercrystals using electric fields. The findings provide a theoretical understanding that may be utilized to guide the design and control of mesoscale polar structures and to explore novel polar structures in other systems and their topological nature.

P=phase-field simulations↗
DOE OSTI2021

Exploring few and single layer CrPS 4 with near-field infrared spectroscopy

Abstract We combine synchrotron-based near-field infrared spectroscopy and first principles lattice dynamics calculations to explore the vibrational response of CrPS 4 in bulk, few-, and single-layer form. Analysis of the mode pattern reveals a C 2 polar + chiral space group, no symmetry crossover as a function of layer number, and a series of non-monotonic frequency shifts in which modes with significant intralayer character harden on approach to the ultra-thin limit whereas those containing interlayer motion or more complicated displacement patterns soften and show inflection points or steps. This is different from MnPS 3 where phonons shift as 1/size 2 and are sensitive to the three-fold rotation about the metal center that drives the symmetry crossover. We discuss these differences as well as implications for properties such as electric polarization in terms of presence or absence of the P–P dimer and other aspects of local structure, sheet density, and size of the van der Waals gap.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Network model for periodically strained graphene

The long-wavelength physics of monolayer graphene in the presence of periodic strain fields has a natural chiral scattering network description. When the strain field varies slowly compared to the graphene lattice and the effective magnetic length of the induced valley pseudomagnetic field, the low-energy physics can be understood in terms of valley-polarized percolating domain-wall modes. Inspired by a recent experiment, we consider a strain field with threefold rotation and mirror symmetries but without twofold rotation symmetry, resulting in a system with the connectivity of the oriented kagome network. Scattering processes in this network are captured by a symmetry-constrained phenomenological S matrix. Here, we analyze the phase diagram of the kagome network and show that the bulk physics of the strained graphene can be qualitatively captured by the network when we account for a percolation transition at charge neutrality. We also discuss the limitations of this approach to properly account for boundary physics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Complex-Valued Intermolecular Coupling Enables Directional Exciton Transport in Excitonic Circuits

Molecular systems capable of directing the flow of excitons are key to the development and optimization of optoelectronic materials. The transport of excitons across multiple molecules is governed by an intermolecular electronic coupling network. In this article, we consider the effects of complex-valued intermolecular electronic coupling on exciton transport. Here, we present a molecular motif capable of generating complex-valued coupling under excitation with circularly polarized light. We use theoretical modeling and simulation to illustrate how complex coupling can be leveraged to drive the rotational flux of excitons in cyclic molecular networks and direct the exciton population in branched molecular networks.

chromophores↗
DOE OSTI2020

Mathematical Modeling of Hydroxide-Exchange-Membrane Water Electrolyzer

Water electrolyzers can transform intermittent renewable energy like solar energy and wind energy into the chemical energy of hydrogen with zero greenhouse-gas emissions. The hydroxide-exchange membrane electrolyzer (HEME) combines the capability to produce pressurized hydrogen with the advantage of being able to use low or non-platinum group metal (PGM) electrocatalysts in the alkaline environment.1 Hydroxide salts, for example, KOH, are added to the HEME water feed on both anode and cathode to improve its performance. However, the specific mechanism of performance improvement still needs to be further understood. In addition, at high current densities, bubble evolution can result in mass-transport limitations, a less well studied phenomena. Mathematical modeling is ideal to explore these issues as it is cost and time efficient and can deconvolute the physics, processes, and observed phenomena and study the applied-voltage breakdown. In this work, we extend our previously developed 1D two-phase continuum model2 to study the varies processes in the HEME and provide insights on performance optimizations. First, the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) kinetics at different hydroxide concentrations have been studied by rotating disk electrodes (RDE) and implemented in the model. Then, the model is calibrated and validated against experimental HEME polarization curves for different KOH concentrations as a liquid electrolyte. The model clearly shows a performance increase with increasing KOH concentrations, which is consistent with the experimental results. The reduced ohmic resistance and increased electrochemical active surface area (ECSA) are the two main reasons for performance increase. The large amount of hydroxide in the liquid electrolyte not only helps to distribute the reactant hydroxide throughout the catalyst layer (CL), which reduces ohmic loss, but also enables reaction at the interface between the liquid electrolyte and electrocatalyst, which increases the ECSA. Applied-voltage breakdown demonstrates that the electrolyzer performance is dominated by anode kinetics and ohmic loss. A comparison with the DI water feed shows a more uniform current distribution in the anode CL when KOH is added, which indicates a higher utilization of the CL. Second, we present modeling on the effects of bubble coverage. As gas evolves, part of the ECSA is minimized due to bubble coverage. To account for this effect, an empirical relationship between the fractional bubble coverage and the current density is implemented in the model.3 The model shows this bubble coverage effect is more pronounced at large current densities with DI water feed. Acknowledgements This work was funded under the HydroGEN Consortium by the Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office, of the U. S. Department of Energy under contract number DE-AC02-05CH11231. References R. Abbasi, B. P. Setzler, S. Lin, J. Wang, Y. Zhao, H. Xu, B. Pivovar, B. Tian, X. Chen, G. Wu and Y. Yan, 31, 1805876 (2019). L. N. Stanislaw, M. R. Gerhardt and A. Z. Weber, ECS Transactions, 92, 767 (2019). H. Vogt and R. J. Balzer, Electrochimica Acta, 50, 2073 (2005).

Liu, Jiangjin↗
DOE OSTI2024

Using interfaces to: create strongly-coupled magnetic-ferroelectrics

Starting at the level of electrons and atoms our long-term goal is to rationally design complex oxide heterostructures and interface-materials with targeted emergent behaviors. This is not a matter of simply optimizing material parameters, but rather begins with understanding a mechanism to control the interplay between the diverse microscopic degrees of freedom prevalent in complex oxides in order to create targeted macroscopic phenomena and ends with the design of new material realizations. These realizations are in turn created with atomic-layer precision, structurally assessed to see that they are the intended realization, and finally their relevant properties are measured. During this program we have developed the scientific ideas necessary to apply this materials-by-design paradigm to the creation of materials offering electrical control of magnetism. At the heart of our approach lies a partnership between theory, synthesis, and characterization. These are the areas of expertise of the three co-PIs, who have worked closely together since their arrival at Cornell. During this project bold ideas on where to put the atoms to provide electrical control of magnetism were met with the latest methods of synthesis science and electron microscopy in an attempt create targeted new multiferroics. Our work applying this materials-by-design methodology to multiferroics has enjoyed multiple successes. The Co-PIs have invented new mechanisms for multiferroics, which provide strong coupling between polarization and magnetism, and reduced them to practice. Specifically, we pioneered multiferroics based on spin-phonon coupling, rotation-driven multiferroicity, and novel geometric multiferroics. Importantly, the latter two of these mechanisms enable the deterministic switching of magnetism by an applied electric field, which is key to the application of multiferroics to future device technologies. Most recently, we performed detailed theoretical analysis on a system involving the combination of magnetoelectric and colossal magnetoresistance behaviors and predict that electrical control of a metal-insulator transition is possible in appropriately strained SmBaMn2O6. The research enabled by this grant led to 63 publications in leading refereed journals including Nature, Nature Materials, Physical Review Letters, and Advanced Materials demonstrating a materials-by-design paradigm to the creation of materials offering electrical control of magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A compact electromagnetic neutron nutator for precise neutron spin manipulation

A superconducting electromagnetic nutator (EMN) capable of generating a magnetic field vector along an arbitrary direction on a 2D plane has been designed. Its performance in precisely manipulating the neutron polarization vector has been tested at the HB2-D polarized development beamline at the High Flux Isotope Reactor. Unlike mechanical nutators that require physical handling or motor-driven actuation to rotate the magnetic field, the magnitude and orientation of the magnetic field produced by the EMN can be controlled electromagnetically. Further, the compact design (~15 mm depth, not including cryogenic housing) of this device ensures ease of coupling within existing superconducting neutron spin manipulation devices, such as magnetic Wollaston prisms (MWP), resonant radio frequency (RF) flippers, spherical neutron polarimetry (SNP) devices, etc.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

New Probe of Cosmic Birefringence Using Galaxy Polarization and Shapes

We propose a novel statistical method to measure cosmic birefringence and demonstrate its power in probing parity violation due to axions. Exploiting an empirical correlation between the integrated radio polarization direction of a spiral galaxy and its apparent shape, we devise an unbiased minimum-variance estimator for the rotation angle, which should achieve an uncertainty of 5°–15° per galaxy. In conclusion, large galaxy samples from the forthcoming SKA continuum surveys, together with optical shape catalogs, promise a comparable or even lower noise power spectrum for the rotation angle than in the CMB Stage-IV (CMB-S4) experiment, with different systematics.

Axion-like particles↗