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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Rotating black hole entropy from M5-branes

We compute the superconformal index of 3d N = 2 superconformal field theories obtained from N M5-branes wrapped on a hyperbolic 3-manifold. Exploiting the 3d-3d correspondence, we use perturbative invariants of SL(N, C) Chern-Simons theory to determine the superconformal index in the large N limit, including corrections logarithmic in N. The leading order partition function provides a microscopic foundation for the entropy function of the dual rotating asymptotically AdS 4 black holes. We also verify that the supergravity one-loop contribution to the log N term coincides with the field theoretic result. We propose a 3d-3d formulation for the refined topologically twisted index, and provide strong evidence in support of its vanishing — which agrees with the fact that the expected dual rotating magnetically-charged black hole does not exist. This provides an interesting link between gravity and a tantalizing mathematical result.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Topological or rotational non-Abelian gauge fields from Einstein-Skyrme holography

We report analytically known states at non-zero temperature which may serve as a powerful tool to reveal common topological and thermodynamic properties of systems ranging from the QCD phase diagram to topological phase transitions in condensed matter materials. In the holographically dual gravity theory, these are analytic solutions to a five-dimensional non-linear-sigma (Skyrme) model dynamically coupled to Einstein gravity. This theory is shown to be holographically dual to \( \mathcal{N} \) = 4 Super-Yang-Mills theory coupled to an SU(2)-current. All solutions are fully backreacted asymptotically Anti-de Sitter (AdS) black branes or holes. One family of global AdS black hole solutions contains non-Abelian gauge field configurations with positive integer Chern numbers and finite energy density. Larger Chern numbers increase the Hawking-Page transition temperature. In the holographically dual field theory this indicates a significant effect on the deconfinement phase transition. Black holes with one Hawking temperature can have distinct Chern numbers, potentially enabling topological transitions. A second family of analytic solutions, rotating black branes, is also provided. These rotating solutions induce states with propagating charge density waves in the dual field theory. We compute the Hawking temperature, entropy density, angular velocity and free energy for these black holes/branes. These correspond to thermodynamic data in the dual field theory. For these states the energy-momentum tensor, (non-)conserved current, and topological charge are interpreted.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Love symmetry in higher-dimensional rotating black hole spacetimes

We develop a method for constructing a 1-parameter family of globally-defined Love symmetry generators in rotating black hole spacetimes of general dimension. The key ingredient is to focus on the vicinity of the (physical) outer horizon, matching only the radial derivative and the outer horizon pole pieces of the Klein-Gordon operator in the black hole spacetime to the SL(2, ℝ) Casimir operator. After revisiting the 4D Kerr and 5D Myers-Perry cases, the procedure is illustrated on generalized Lense-Thirring spacetimes which describe a wide variety of slowly rotating black hole metrics in any number of dimensions. Such spacetimes are known to admit an extended tower of Killing tensor and Killing vector symmetries and, as demonstrated in this paper, allow for separability of the massive scalar wave equation in Myers-Perry-like coordinates. Interestingly, separability also occurs in the horizon-penetrating Painlevé–Gullstrand coordinates associated with the freely infalling observer who registers flat space around her all the way to singularity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Universality in logarithmic temperature corrections to near-extremal rotating black hole thermodynamics in various dimensions

The low-temperature thermodynamics of near-extremal rotating black holes has recently been revisited to incorporate one-loop contributions that are dominant in this regime. We discuss these quantum corrections to the gravitational path integral for asymptotically Anti de-Sitter black holes in four and five dimensions. In four dimensions we explicitly consider Kerr-AdS 4 , Kerr-Newman-AdS 4 and the rotating black hole in $\mathcal{N}$ = 4 gauged supergravity with two scalars and two electric charges turned on. In five dimensions we explicitly address the asymptotically flat Myers-Perry black hole and the Kerr-AdS5 black hole. In every case we find that tensor modes contribute $\frac{3}{2}$logT Hawking to the low-temperature thermodynamics. We identify the root cause of this universality in two facts: (i) the universal presence of a SL(2, $\mathbb{R}$) subgroup of isometries in the near-horizon geometry and (ii) a set of cancellations in the Lichnerowicz operator. We show that these two conditions hold for near-extremal black holes in asymptotically flat and asymptotically AdS spacetimes of various dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Concerning Mössbauer experiments in a rotating system and their physical interpretation

We shortly review different attempts to interpret the results of Mössbauer rotor experiments in a rotating system and particularly we show that the latest work on this subject by J. Iovane and E. Benedetto (2019), which claims that the outcomes of these experiments can supposedly be explained via “desynchronization of clocks” in the rotating frame and in the laboratory frame, is inapplicable to all of the Mössbauer rotor experiments performed up to date and thus does not have any significance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

SpectrumSDT: A program for parallel calculation of coupled rotational-vibrational energies and lifetimes of bound states and scattering resonances in triatomic systems

In this work, we present SpectrumSDT – a program for calculations of energies and lifetimes of bound rotational-vibrational states below and scattering resonances above the dissociation threshold on a global potential energy surface of a triatomic system, which may include stable molecules, weekly-bound van-der-Waals complexes, and unbound atom + diatom scattering systems. Large-amplitude vibrational motion is treated explicitly using hyper-spherical coordinates. Three options for the rotational-vibrational interaction are supported: uncoupled (symmetric top rotor), partially coupled (to include interaction between several nearest states only) and full-coupled (vibrating asymmetric-top rotor). In addition to energies and lifetimes, SpectrumSDT is able to integrate ro-vibrational wave functions over the user-defined regions of potential energy surface, which helps to classify these states. In this release of the code, SpectrumSDT is limited to ABA-type molecules with wave functions that do not extend into the regions near Eckart singularities.

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

Antiferromagnet thickness dependence and rotatable spins in exchange biased CoO/Fe films

The emergence of exchange bias and coercivity enhancement has been investigated in epitaxial CoO/Fe films with varied antiferromagnet (AF) thicknesses, even smaller than the critical value where the frozen CoO spins are detectable. Vector magnetometry and first-order reversal curve (FORC) measurements reveal different CoO thickness dependence of the exchange bias and coercivity enhancement, including the evolution of magnetization reversal from a high coercivity, low bias phase due to rotatable CoO moments to a high bias, low coercivity phase due to frozen CoO moments. Furthermore, the AF domain state is found to be metastable, which can be reoriented by external and exchange fields prior to the appearance of frozen spins, pointing to a generic origin of the training effect. Monte Carlo simulations show that the AF anisotropy energy barrier and the rotatable spins induced by magnetic field and exchange interaction at the interface are responsible for the observed effects.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Stable and unstable supersonic stagnation of an axisymmetric rotating magnetized plasma

The Naval Research Laboratory ‘Mag Noh problem’, described in this paper, is a self-similar magnetized implosion flow, which contains a fast magnetohydrodynamic (MHD) outward propagating shock of constant velocity. We generalize the classic Noh ( OSTI Tech. Rep. 577058, 1983) problem to include azimuthal and axial magnetic fields as well as rotation. Our family of ideal MHD solutions is five parametric, each solution having its own self-similarity index, gas gamma, magnetization, the ratio of axial to the azimuthal field and rotation. While the classic Noh problem must have a supersonic implosion velocity to create a shock, our solutions have an interesting three-parametric special case with zero initial velocity in which magnetic tension, instead of implosion flow, creates the shock at $t=0+$ . Our self-similar solutions are indeed realized when we solve the initial value MHD problem with the finite volume MHD code Athena. We numerically investigated the stability of these solutions and found both stable and unstable regions in parameter space. Stable solutions can be used to test the accuracy of numerical codes. Unstable solutions have also been widely used to test how codes reproduce linear growth, transition to turbulence and the practically important effects of mixing. Now we offer a family of unstable solutions featuring all three elements relevant to magnetically driven implosions: convergent flow, magnetic field and a shock wave.

Mechanics↗
DOE OSTI2023

A kinetic model for pure electron plasma compression via the rotating wall technique

An approximate model for pure electron plasma compression is developed for the case where the rotating wall (RW) electric field couples to the ${E}\times{B}$rotation and axial bounce motion of the electrons. The key assumption in the model is that, throughout the compression, the plasma remains in a slowly evolving thermal equilibrium defined by the plasma temperature and angular momentum. Linearized drift kinetic theory is employed to derive an expression for torque exerted by the RW field on the plasma through coupling to the resonant plasma particles, and averaging is used to find the torque that both compresses and heats the plasma. The evolution equations for the angular velocity and temperature of the plasma include the compression and heating from the torque and cooling from cyclotron radiation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Broadband Rotational Spectroscopy in Uniform Supersonic Flows: Chirped Pulse/Uniform Flow for Reaction Dynamics and Low Temperature Kinetics

ConspectusThe study of gas-phase chemical reactions at very low temperatures first became possible with the development and implementation of the CRESU (French acronym for Reaction Kinetics in Uniform Supersonic Flows) technique. CRESU relies on a uniform supersonic flow produced by expansion of a gas through a Laval (convergent-divergent) nozzle to produce a wall-less reactor at temperatures from 10 to 200 K and densities of 1016-1018 cm-3 for the study of low temperature kinetics, with particular application to astrochemistry. In recent years, we have combined uniform flows with revolutionary advances in broadband rotational spectroscopy to yield an instrument that affords near-universal detection for novel applications in photodissociation, reaction dynamics, and kinetics. This combination of uniform supersonic flows with chirped-pulse Fourier-transform microwave spectroscopy (Chirped-Pulse/Uniform Flow, CPUF) permits detection of any species with a modest dipole moment, thermalized to the uniform temperature of the gas flow, with isomer, conformer, and vibrational state specificity. In addition, the use of broadband, high-resolution, and time-dependent (microsecond time scale) micro- and mm-wave spectroscopy makes it an ideal tool for characterizing both transient and stable molecules, as well as studying their spectroscopy and dynamics.In this Account, we review recent advances made using the CPUF technique, including studies of photodissociation, radical-radical reaction dynamics, and low temperature kinetics. These studies highlight both the strength of universal and multiplexed detection and the challenges of coupling it to a high-density collisional environment. Product branching and product evolution as a function of time have been measured for astrochemically relevant systems, relying on the detailed characterization of these flow conditions via experiments and fluid dynamics simulations. In the photodissociation of isoxazole, an unusual heterocyclic molecule with a very low-energy conical intersection, we have identified 7 products in 5 reaction channels and determined the product branching, pointing to both direct and indirect pathways. We have also approached the same system from separated NO and C3H3 reactants to explore a broader range of the potential energy surface, demonstrating the power of multichannel branching measurements for complex radical-radical reactions. We determined the product branching in the C3H2 isomers in the photodissociation of the propargyl radical and identified the importance of a hydrogen atom catalyzed isomerization to the lowest energy cyclic form. This then motivated a study of direct D-H exchange reaction in radicals, in which we demonstrate that it is an important and overlooked pathway for deuterium fractionation in astrochemical environments. Recently, we have shown the measurement of low temperature kinetics inside an extended Laval nozzle, after which a shock-free secondary expansion to low temperature and density affords an ideal environment for detection by rotational spectroscopy. These results highlight the power and potential of the CPUF approach, and future prospects will also be discussed in light of these developments.

Dias, Nureshan↗
DOE OSTI2022

Carboxylic Group Rotation and Lattice Expansion in a Co 2 (Pyrazine-2,3-Dicarboxylate) 2 (4,4'-Bipyridine) Porous Coordination Polymer Induced by CO 2 Adsorption at Ambient Temperature

Here, a Co 2 (pzdc) 2 (bpy)(H 2 O) m (pzdc: pyrazine-2,3dicarboxylate; bpy: 4,4'-bipyridine) porous coordination polymer (PCP) was studied for CO 2 uptake and concomitant structural changes at ambient temperature. Extended structural characterization included evaluation of lattice parameter changes upon CO 2 adsorption and in situ synchrotron X-ray powder diffraction data. The PCP effective pore size increased by ~2% with gas uptake over the pressure range of 1-50 atm, allowing the adsorption capacity to double. Furthermore, the hysteretic behaviors seen during CO 2 adsorption at moderate pressures are commensurate with the structural changes from synchrotron data. The adsorption and hysteresis occur with rotation of the linking carboxylate groups, and yet only minor changes in unit cell volume (ΔV ≈ 6 Å 3 ) are observed. This contrasts the findings for [Cu 2 (pzdc) 2 (bpy)] n , where a combination of pillar bpy rotations and significant lattice expansion (ΔV ≈ 68 Å(3)) takes place upon hysteretic adsorption of CO 2 . In situ high-temperature X-ray diffraction revealed that the Co(II)-based material has good thermal stability up to ca. 200° C. Finally, the CO 2 uptake also appears to be at a physisorption level, with adsorbent-adsorbate interactions that are ca. 30% stronger than what has been reported for CO 2 adsorption onto [Cu 2 (pzdc) 2 (bpy)] n .

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

Insights into Rotational and Translational Dynamics in Mixtures of Ethylene Glycol and Choline Chloride Using Nuclear Magnetic Resonance Techniques

This work examines molecular dynamics and interactions in ethylene glycol–choline chloride (EG–ChCl) mixtures across 0–33 mol % ChCl, spanning the true eutectic region near 17–20 mol % and the commonly used 1:2 formulation. We combine pulsed-field-gradient (PFG) diffusion, fast-field-cycling (FFC) relaxometry, temperature-dependent 13 C T 1 , and nuclear Overhauser effect spectroscopy (NOESY) to disentangle local from macroscopic dynamics. PFG and FFC show that both translational and average rotational motions largely track the strong increase in viscosity with ChCl content, with ethylene glycol consistently diffusing faster than the choline cation and no global dynamical anomaly at the eutectic composition. More subtle, site-specific composition effects nevertheless emerge. The ratio of the diffusion coefficient of the hydroxyl group of choline to the diffusion coefficient of the methyl group of choline displays a shallow minimum in the 17–25 mol % region, indicating a modest change in how the hydroxyl-bearing end of choline samples the underlying translational motion relative to the methyl groups. 13 C T 1 analysis shows that rotational correlation times at 25 °C generally increase with ChCl, reflecting viscosity-coupled slowing, while the CH 2 –N α site exhibits a small but reproducible deviation from this monotonic trend near the eutectic. NOESY spectra at similar compositions reveal enhanced cross-relaxation between EG and choline protons, consistent with increased headgroup–solvent contact density rather than a wholesale structural rearrangement. Overall, our multitechnique study demonstrates that EG–ChCl dynamics are predominantly viscosity-dominated, with the eutectic region acting as a subtle dynamical crossover where specific choline segments become maximally coupled to the hydrogen-bond network. These insights refine the structure–dynamics picture of choline-chloride DESs and provide practical guidance for tuning composition in electrochemical, separation, and catalytic applications.

diffusion↗
DOE OSTI2021

Rotational Modulation of à 2 A State Photodissociation of HCO via Renner-Teller Nonadiabatic Transitions

By examining the product-state distribution of a prototypical non- adiabatic predissociation system, HCO($Ã^2A''–\tilde X^2A'$), we demonstrate here that the dissociation dynamics is strongly modulated by parent rotational quantum numbers. The predissociation of the nominal ($ν_{\text{C–H}} = 0, ν_{\text{bend}}, ν_{\text{C–O}} = 1$) vibronic levels of the $AÃ^2A''$ state surprisingly gives rise to both vibrational ground and excited states of the CO product, despite the assumed spectator nature of the CO moiety. This anomaly is attributed to the dependence of the lifetime of the vibronic resonance facilitated by the Renner–Teller interaction on the parent rotational angular momentum quantum numbers coupled with transient intensity borrowing from nearby vibronic resonances with $ν_{\text{C–O}} = 0$. This unique phenomenon is a purely quantum mechanical behavior that has no classical analogue.

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

Geometric Transformations Afforded by Rotational Freedom in Aramid Amphiphile Nanostructures

Molecular self-assembly in water leads to nanostructure geometries that can be tuned owing to the highly dynamic nature of amphiphiles. There is growing interest in strongly interacting amphiphiles with suppressed dynamics, as they exhibit ultrastability in extreme environments. However, such amphiphiles tend to assume a limited range of geometries upon self-assembly due to the specific spatial packing induced by their strong intermolecular interactions. To overcome this limitation while maintaining structural robustness, we incorporate rotational freedom into the aramid amphiphile molecular design by introducing a diacetylene moiety between two aramid units, resulting in diacetylene aramid amphiphiles (D-AAs). This design strategy enables rotations along the carbon–carbon sp hybridized bonds of an otherwise fixed aramid domain. We show that varying concentrations and equilibration temperatures of D-AA in water lead to self-assembly into four different nanoribbon geometries: short, extended, helical, and twisted nanoribbons, all while maintaining robust structure with thermodynamic stability. In conclusion, we use advanced microscopy, X-ray scattering, spectroscopic techniques, and two-dimensional (2D) NMR to understand the relationship between conformational freedom within strongly interacting amphiphiles and their self-assembly pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Optical Waveguiding Charge-Transfer Cocrystals: Examining the Impact of Molecular Rotations on Their Photoluminescence

Here, we present the first example of a binary optical waveguiding (OWG) cocrystal with large anisotropy featuring a fluorinated acceptor molecule (CPP-TFPN, 1) with on-plane rotational dynamics, confirmed by solid-state NMR ( 19 F T 1 ) and theoretical calculations. Spatially resolved microphotoluminescence and variable-temperature photoluminescence experiments allowed us to examine the OWG performance and photophysical properties of both single crystals and bulk microcrystalline samples. A comparison with an analogous cocrystal containing a regioisomeric acceptor (CPP-TFTN, 2) revealed that the photoluminescence characteristics of 1 are associated with the rotational motions of the acceptor, offering insights into how the molecular motion changes this property.

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

Steady Long-term Slip Rate on the Blue Cut Fault: Implications for Ongoing Block Rotation in the Eastern Transverse Ranges, CA

We report the Eastern Transverse Ranges (ETR) province of California contains a system of E-W-trending left-lateral faults accommodating clockwise block rotation between the San Andreas Fault (SAF) system in the Coachella Valley and the Eastern California Shear Zone (ECSZ) in the Mojave Desert. Building upon established geometric relationships, we estimate that this rotation across the ETR may transfer right-lateral strain from the SAF to the ECSZ at a time-averaged rate of ~4.3–7.7 mm/yr. Through geomorphic mapping and the analysis of 38 10 Be surface exposure samples, we derive a long-term slip rate of 1.26 ± 0.50 (2σ) mm/yr over the late Pleistocene, yet analysis of the displacement record indicates a rate decrease ~71 kya. While a rate change on this fault could have implications for possible plate boundary reorganization in this area, we argue that this slip rate variability more likely reflects routine fluctuation about a steady lifetime slip rate.

58 GEOSCIENCES↗
DOE OSTI2025

The Impacts of Rotational Mixing on the Precipitation Simulated by a Convection Permitting Model

With increased availability of computational resources, regional and global scale convection-permitting model (CPM, Δx ~ 1–10 km) simulations are becoming more common. CPMs have improved accuracy in their representation of deep convection and mesoscale convective systems (MCSs) compared to coarser resolution models. However, CPMs still exhibit convective cloud and precipitation biases relative to observations, notably a lesser frequency of light precipitation rates and greater frequency of heavy precipitation rates. In this work we hypothesize that these CPM biases are related to under-resolved mixing between convective updrafts and their surrounding environment. To test this hypothesis, we introduce a parameterization to the Weather Research and Forecasting model (WRF) that adds a small angular rotation of the grid-scale flow about the axis perpendicular to the plane of convective drafts. This rotated flow is then allowed to alter advection of moisture and hydrometeors. The effects of such mixing on precipitation characteristics are evaluated in month-long 4-km grid spacing simulations over the Amazon. The enhanced mixing transports moisture and condensate from convective cores to other areas including downdrafts. This increases the frequency of low-precipitable water and light precipitation. It also decreases the frequency of intense precipitation from isolated deep convection and MCSs, increases cloud top temperatures, reduces radar echo-top heights, and increases overall precipitation by altering the relationship of precipitation with precipitable water, in better agreement with observations. The results suggest when optimized using multiple observations, such an approach may provide a path toward more accurate representation of convection and precipitation statistics in convection-permitting simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Rotation in attosecond vibronic coherence spectroscopy for molecules

Abstract Excitation or ionization of a molecule by ultrafast laser pulses can create a superposition of electronic states, whose dynamics is influenced by the interplay of electronic coherence and nuclear motion, resulting in charge migration and possibly charge transfer. Probing the vibronic coherence is therefore vital to monitoring electronic dynamics and controlling chemical reactivity, as recently demonstrated in molecules via attosecond transient absorption spectroscopy (ATAS). However, theories supporting the interpretation of ATAS experiments neglect the effects of molecular rotation, often leading to inaccurate interpretation of experimental data. Here, we develop a comprehensive theory for ATAS of molecules encompassing the entire pump-probe process. Applying the theory to N 2 , we demonstrate that the emergence of coherent signals critically depends on the consideration of molecular rotation. This work contributes to close the gap between theory and ATAS experiments, paving the way for monitoring electronic motion and controlling chemical reactivity in diverse molecular systems.

Physics↗