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NASA NTRS1980

Active controls for flutter suppression and gust alleviation in supersonic aircraft

Application is made in the present paper of the recently developed relaxed aerodynamic energy concept and synthesis techniques to the definition of appropriate active control systems for the low-speed flutter model of the B-2707-300 supersonic cruise airplane. The effectiveness of the resulting activated systems is analytically tested for flutter suppression, wing root bending moment alleviation, and ride control (fuselage accelerations). The results obtained indicate that considerable increase in flutter speeds can be obtained by the various control systems, using a single trailing-edge control. In all cases, the flutter suppression control system led to a substantial reduction in both wing root bending moments and in fuselage and wing accelerations.

Nissim, E.↗

DOE OSTI2022

Excited-State-Selective Ultrafast Relaxation Dynamics and Photoisomerization of trans-4,4'-Azopyridine

Here, excited-state dynamics of trans-4,4’-azopyridine in ethanol is studied using femtosecond transient absorption with 30 fs temporal resolution. Exciting the system at three different wavelengths, 460- and 290-(275) nm, to access the S 1 n,π* and S 2 π,π* electronic states, respectively, reveals a 195 cm -1 vibrational coherence, that suggests that the same mode is active in both n,π* and π,π* relaxation channels. Following S 1 -excitation, relaxation proceeds via a nonrotational pathway, where a fraction of the n,π* population is trapped in a planar minimum (lifetime, 2.1 ps), while the remaining population travels further to a second shallow minimum (lifetime, 300 fs) prior to decay into the ground state. Population of the S 2 state leads to 30-fs non-rotational relaxation with a concurrent buildup of n,π* population and nearly simultaneous formation of hot ground state species. An increase in the cis-isomer quantum yield upon π,π* vs. n,π* excitation is observed, which is opposite to trans-azobenzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Off-Equilibrium Reactivity of Boron-Enriched Metal Diboride Surfaces in Electroreduction Conditions

Boron-based materials, featuring B-dependent reactivity and diverse phases, are emerging as promising catalyst systems. However, the catalytic mechanism on many borides remains poorly understood due to complex surface reconstructions under reaction conditions. Here, we investigate the MoB 2 surface in conditions of hydrogen evolution reaction in acidic media, using grand canonical global optimization, grand canonical density functional theory, ab initio molecular dynamics, free energy surface sampling, and an analytical model for electrochemical barrier evaluation. We propose a boron-enrichment strategy to tune the surface reactivity of the hexagonal face of MoB 2 . We reveal the dynamic nature of the B-enriched surface under H coverage and kinetic trapping of the system in the metastable regime with an extensive examination of the deactivation pathways. The metastable center B site on B-enriched surfaces, featuring buckled-up configuration and a usual relaxation effect, is found to be highly active toward HER via the Volmer–Heyrovsky mechanism. In conclusion, this work demonstrates how off-equilibrium behaviors can arise from the interplay between adsorbate coverage and surface reconstruction on a seemingly simple surface, and we present a theoretical framework and computational workflows to address these behaviors, along with other realistic complexities, in kinetics simulations.

Adsorption↗

DOE OSTI2020

Quantifying Large Lattice Relaxations in Photovoltaic Devices

Temporal variations of Cu(In,Ga)Se 2 photovoltaic device properties during light exposure at various temperatures and voltage biases for times up to 100 h are analyzed using the kinetic theory of large lattice relaxations. Open-circuit voltage and p-type doping increased with charge injection and decreased with temperature at low injection conditions. Furthermore, lattice relaxation can account for both trends and activation energies extracted from the data are approximately 0.9 and 1.2 eV for devices with lower and higher sodium content, respectively. In these devices, increased sodium content resulted in higher initial p-type doping with greater stability. First-principles calculations providing revised activation energies for the (V Se -V Cu ) complex suggest that this defect does not account for the metastability observed here.

14 SOLAR ENERGY↗

NASA NTRS1974

Vehicle design considerations for active control application to subsonic transport aircraft

The state of the art in active control technology is summarized. How current design criteria and airworthiness regulations might restrict application of this emerging technology to subsonic CTOL transports of the 1980's are discussed. Facets of active control technology considered are: (1) augmentation of relaxed inherent stability; (2) center-of-gravity control; (3) ride quality control; (4) load control; (5) flutter control; (6) envelope limiting, and (7) pilot interface with the control system. A summary and appraisal of the current state of the art, design criteria, and recommended practices, as well as a projection of the risk in applying each of these facets of active control technology is given. A summary of pertinent literature and technical expansions is included.

Hofmann, L. G.↗

NASA NTRS1996

Upper Body Venous Compliance Exceeds Lower Body Venous Compliance in Humans

Human venous compliance hypothetically decreases from upper to lower body as a mechanism for maintenance of the hydrostatic indifference level 'headward' in the body, near the heart. This maintains cardiac filling pressure, and thus cardiac output and cerebral perfusion, during orthostasis. This project entailed four steps. First, acute whole-body tilting was employed to alter human calf and neck venous volumes. Subjects were tilted on a tilt table equipped with a footplate as follows: 90 deg, 53 deg, 30 deg, 12 deg, O deg, -6 deg, -12 deg, -6 deg, O deg, 12 deg, 30 deg, 53 deg, and 90 deg. Tilt angles were held for 30 sec each, with 10 sec transitions between angles. Neck volume increased and calf volume decreased during head-down tilting, and the opposite occurred during head-up tilt. Second, I sought to cross-validate Katkov and Chestukhin's (1980) measurements of human leg and neck venous pressures during whole-body tilting, so that those data could be used with volume data from the present study to calculate calf and neck venous compliance (compliance = (Delta)volume/(Delta)pressure). Direct measurements of venous pressures during postural chances and whole-body tilting confirmed that the local changes in venous pressures seen by Katkov and Chestukhin (1980) are valid. The present data also confirmed that gravitational changes in calf venous pressure substantially exceed those changes in upper body venous pressure. Third, the volume and pressure data above were used to find that human neck venous compliance exceeds calf venous compliance by a factor of 6, thereby upholding the primary hypothesis. Also, calf and neck venous compliance correlated significantly with each other (r(exp 2) = 0.56). Fourth, I wished to determine whether human calf muscle activation during head-up tilt reduces calf venous compliance. Findings from tilting and from supine assessments of relaxed calf venous compliance were similar, indicating that tilt-induced muscle activation is relatively unimportant. Low calf venous compliance probably results from stiffer venous, skeletal muscle, and connective tissues, and better-developed local and central neural controls of venous distensibility. This research establishes that upper-to-lower body reduction of venous compliance can explain headward positioning of the hydrostatic indifference level in humans.

Watenpaugh, Donald E.↗

DOE OSTI2023

The rapid change in mental health among college students after introduction of on-campus quarantine during the 2022 Shanghai COVID-19 lockdown

Objectives Among the various impacts of disasters in terms of emotions, quarantine has been proven to result in significant increases in mental health problems. Studies of psychological resilience during outbreaks of epidemics tend to focus on long-term social quarantine. In contrast, insufficient studies have been conducted examining how rapidly negative mental health outcomes occur and how these outcomes change over time. We evaluated the time course of psychological resilience (over three different phases of quarantine) among students at Shanghai Jiao Tong University to investigate the influence of unexpected changes on college students. Methods An online survey was conducted from 5 to 7 April 2022. A structured online questionnaire was administered using a retrospective cohort trial design. Before 9 March (Period 1), individuals engaged in their usual activities without restrictions. From 9 to 23 March (Period 2), the majority of students were asked to remain in their dormitories on campus. From 24 March to early April (Period 3), restrictions were relaxed, and students were gradually allowed to participate in essential activities on campus. We quantified dynamic changes in the severity of students’ depressive symptoms over the course of these three periods. The survey consisted of five sets of self-reported questions: demographic information, lifestyle/activity restrictions, a brief mental health history, COVID-19-related background, and the Beck Depression Inventory, second edition. Results A total of 274 college students aged 18–42 years (mean = 22.34; SE = 0.24) participated in the study (58.39% undergraduate students, 41.61% graduate students; 40.51% male, 59.49% female). The proportion of students with depressive symptoms was 9.1% in Period 1, 36.1% in Period 2, and 34.67% in Period 3. Depressive symptoms increased notably with the introduction of the quarantine in Periods 2 and 3. Lower satisfaction with the food supplied and a longer duration of physical exercise per day were found to be positively associated with changes in depression severity in Periods 2 and 3. Quarantine-related psychological distress was more evident in students who were in a romantic relationship than in students who were single. Conclusion Depressive symptoms in university students rapidly increased after 2 weeks of quarantine and no perceptible reversal was observed over time. Concerning students in a relationship, ways to take physical exercise and to relax should be provided and the food supplied should be improved when young people are quarantined.

Ma, Dongni↗

NASA NTRS1994

Acceleration of electrons and ions by strong lower-hybrid turbulence in solar flares

One of the outstanding problems in solar flare theory is how to explain the 10-20 keV and greater hard x-ray emissions by a thick target bremsstrahlung model. The model requires the acceleration mechanism to accelerate approximately 10(exp 35) electrons sec(exp -l) with comparable energies, without producing a large return current which persists for long time scales after the beam ceases to exist due to Lenz's law, thereby, producing a self-magnetic field of order a few mega-Gauss. In this paper, we investigate particle acceleration resulting from the relaxation of unstable ion ring distributions, producing strong wave activity at the lower hybrid frequency. It is shown that strong lower hybrid wave turbulence collapses in configuration space producing density cavities containing intense electrostatic lower hybrid wave activity. The collapse of these intense nonlinear wave packets saturate by particle acceleration producing energetic electron and ion tails. There are several mechanisms whereby unstable ion distributions could be formed in the solar atmosphere, including reflection at perpendicular shocks, tearing modes, and loss cone depletion. Numerical simulations of ion ring relaxation processes, obtained using a 2 1/2-D fully electromagnetic, relativistic particle in cell code are discussed. We apply the results to the problem of explaining energetic particle production in solar flares. The results show the simultaneous acceleration of both electrons and ions to very high energies: electrons are accelerated to energies in the range 10-500 keV, while ions are accelerated to energies of the order of MeVs, giving rise to x-ray emission and gamma-ray emission respectively. Our simulations also show wave generation at the electron cyclotron frequency. We suggest that these waves are the solar millisecond radio spikes. The strong turbulence collapse process leads to a highly filamented plasma producing many localized regions for particle acceleration and resulting in approximately 10(exp 17) electron 'beamlets' of width approximately equal to 10 lambda sub De which eliminates the production of large magnetic fields. In this paper, we demonstrate that the model produces an energetic electron spectrum with the right flux to account for the hard x-ray observations.

Spicer, D. S.↗

DOE OSTI2023

Evidence for AGN-regulated Cooling in Clusters at z ∼ 1.4: A Multiwavelength View of SPT-CL J0607-4448

Abstract We present a multiwavelength analysis of the galaxy cluster SPT-CL J0607-4448 (SPT0607), which is one of the most distant clusters discovered by the South Pole Telescope at z = 1.4010 ± 0.0028. The high-redshift cluster shows clear signs of being relaxed with well-regulated feedback from the active galactic nucleus (AGN) in the brightest cluster galaxy (BCG). Using Chandra X-ray data, we construct thermodynamic profiles and determine the properties of the intracluster medium. The cool-core nature of the cluster is supported by a centrally peaked density profile and low central entropy ( K 0 = 18 − 9 + 11 keV cm 2 ), which we estimate assuming an isothermal temperature profile due to the limited spectral information given the distance to the cluster. Using the density profile and gas cooling time inferred from the X-ray data, we find a mass-cooling rate M ̇ cool = 100 − 60 + 90 M ⊙ yr −1 . From optical spectroscopy and photometry around the [O ii ] emission line, we estimate that the BCG star formation rate is SFR [ O II ] = 1.7 − 0.6 + 1.0 M ⊙ yr −1 , roughly two orders of magnitude lower than the predicted mass-cooling rate. In addition, using ATCA radio data at 2.1 GHz, we measure a radio jet power P cav = 3.2 − 1.3 + 2.1 × 10 44 erg s −1 , which is consistent with the X-ray cooling luminosity ( L cool = 1.9 − 0.5 + 0.2 × 10 44 erg s −1 within r cool = 43 kpc). These findings suggest that SPT0607 is a relaxed, cool-core cluster with AGN-regulated cooling at an epoch shortly after cluster formation, implying that the balance between cooling and feedback can be reached quickly. We discuss the implications for these findings on the evolution of AGN feedback in galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Dopant levels in large nanocrystals using stochastic optimally tuned range-separated hybrid density functional theory

In this work, we apply a stochastic version of an optimally tuned range-separated hybrid functional to provide insight on the electronic properties of P- and B- doped Si nanocrystals of experimentally relevant sizes. We show that we can use the range-separation parameter for undoped systems to calculate accurate results for dopant activation energies. We apply this strategy for tuning functionals to study doped nanocrystals up to 2.5 nm in diameter at the hybrid functional level. In this confinement regime, the P- and B- dopants have large activation energies and have strongly localized states that lie deep within the energy gaps. Structural relaxation plays a greater role for B-substituted dopants and contributes to the increase in activation energy when the B dopant is near the nanocrystal surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Concentration-Dependent Solvation Structure and Dynamics of Aqueous Sulfuric Acid Using Multinuclear NMR and DFT

Sulfuric acid is a ubiquitous compound for industrial processes and aqueous sulfate solutions also play a critical role in electrolytes for many prominent battery chemistries. While the thermodynamic literature for it is quite well-developed, comprehensive studies of the solvation structure, and particularly molecular-scale dynamical and transport properties, are less available. This study applies a multinuclear NMR approach to the elucidation of the solvation structure and dynamics over a wide temperature (-10 – 50?C) and concentration (0 – 18 M) range, combining 17O shift, linewidth, and T1 relaxation measurements, 33S shift and linewidth measurements, and 1H PFG-NMR measurements of the proton self-diffusivity. In conjunction, these results indicate a crossover between two regimes of solvation structure and dynamics, occurring above the concentration associated with the deep eutectic point (~ 4.5 M), with the high-concentration regime dominated by strong water-sulfate correlation. This description was borne out in detail by the activation energy trends with increasing concentration derived from the relaxation of both the H2O/H3O+ and H2SO4/HSO4-/SO42- 17O resonances and the 1H self-diffusivity. However, the 17O chemical shift difference between the H2O/H3O+ and H2SO4/HSO4-/SO42- resonances across the entire temperature range is nevertheless strikingly linear. A computational approach coupling MD simulations and DFT NMR shift calculations to reproduce this trend is presented, which will be the subject of further development. This combination of multinuclear, dynamical NMR and computational methods, and the results furnished by this study, will provide a platform for future studies on battery electrolytes where aqueous sulfate chemistry plays a central role in the solution structure.

Bazak, Jonathan D.↗

DOE OSTI2020

Direct observation of two-dimensional magnons in atomically thin CrI 3

Magnons are collective spin excitations in crystals with long-range magnetic order. The emergent van der Waals magnets provide a highly tunable platform to explore magnetic excitations in the two-dimensional limit with intriguing properties, manifesting from their honeycomb lattice structure and switchable magnetic configurations. Here, we report the direct observation of two-dimensional magnons through magneto-Raman spectroscopy with optical selection rules determined by the interplay between crystal symmetry, layer number and magnetic states in atomically thin CrI 3 . In monolayers, we observe an acoustic magnon mode at ~0.3 meV. It has strict cross-circularly polarized selection rules locked to the magnetization direction that originates from the conservation of angular momentum of photons and magnons dictated by three-fold rotational symmetry. Additionally, we reveal optical magnon modes at ~17 meV. This mode is Raman silent in monolayers, but optically active in bilayers and bulk due to a relaxation of the parity criterion resulting from the layer index. In the layered antiferromagnetic states, we directly resolve two degenerate optical magnon modes with opposite angular momentum and conjugate optical selection rules. From these measurements, we quantitatively extract the spin-wave gap, magnetic anisotropy and intralayer and interlayer exchange constants, and establish two-dimensional magnets as a new platform for exploring magnon physics.

36 MATERIALS SCIENCE↗

DOE OSTI2025

A multivariate library of zirconia metal–organic frameworks with dissolved p -nitroaniline dipoles and concentration-dependent optical and dielectric response

In this work, we show how the combination of soluble non-polar and polar links allows for the preparation of multivariate metal–organic frameworks (MTV MOFs) that exhibit dipolar solid-solution behavior. We prepared a library of PIZOF-2 MOFs with varied concentrations of p -nitroaniline (PNA)-containing moiety embedded within the MTV links. This library forms a partial solid solution up to 30 mol% with input/output composition ratio of 0.536 ± 0.018. MOFs with x > 5 mol% PNA show concentration-dependent hypsochromic dipole–dipole coupling (H-coupling) in the solid-state UV-visible spectra. The MTV library also exhibits a dielectric relaxation event in the broadband dielectric spectra with activation enthalpies and entropies that vary with temperature and PNA content and follow linear Meyer–Neldel compensation relations.

Langlois, Kyle R. [Univ. of Central Florida, Orlan↗

NASA NTRS1992

Central difference TVD and TVB schemes for time dependent and steady state problems

We use central differences to solve the time dependent Euler equations. The schemes are all advanced using a Runge-Kutta formula in time. Near shocks, a second difference is added as an artificial viscosity. This reduces the scheme to a first order upwind scheme at shocks. The switch that is used guarantees that the scheme is locally total variation diminishing (TVD). For steady state problems it is usually advantageous to relax this condition. Then small oscillations do not activate the switches and the convergence to a steady state is improved. To sharpen the shocks, different coefficients are needed for different equations and so a matrix valued dissipation is introduced and compared with the scalar viscosity. The connection between this artificial viscosity and flux limiters is shown. Any flux limiter can be used as the basis of a shock detector for an artificial viscosity. We compare the use of the van Leer, van Albada, mimmod, superbee, and the 'average' flux limiters for this central difference scheme. For time dependent problems, we need to use a small enough time step so that the CFL was less than one even though the scheme was linearly stable for larger time steps. Using a total variation bounded (TVB) Runge-Kutta scheme yields minor improvements in the accuracy.

Jorgenson, P.↗

NASA NTRS1992

Central difference TVD and TVB schemes for time dependent and steady state problems

Jorgenson, P.↗

NASA NTRS1995

Nonequilibrium transport in superconducting filaments

The step-like current-voltage characteristics of highly homogeneous single-crystalline tin and indium thin filaments has been measured. The length of the samples L approximately 1 cm was much greater than the nonequilibrium quasiparticle relaxation length Lambda. It was found that the activation of a successive i-th voltage step occurs at current significantly greater than the one derived with the assumption that the phase slip centers are weakly interacting on a scale L much greater than Lambda. The observation of 'subharmonic' fine structure on the voltage-current characteristics of tin filaments confirms the hypothesis of the long-range phase slip centers interaction.

Arutyunov, K. YU.↗

NASA NTRS2016

Ice-Covered Lakes in Gale Crater Mars: The Cold and Wet Hypothesis

Recent geological discoveries from the Mars Science Laboratory provide evidence that Gale crater may have intermittently hosted a fluvio-lacustine environment during the Hesperian, with individual lakes lasting for a period of tens to hundreds of thousands of years. (Grotzinger et al., Science, 350 (6257), 2015). Estimates of the CO2 content of the atmosphere at the time the Gale sediments formed are far less than needed by any climate model to warm early Mars (Bristow et al., Geology, submitted), given the low solar energy input available at Mars 3.5 Gya. We have therefore explored the possibility that the lakes in Gale during the Hesperian were perennially covered with ice using the Antarctic Lakes as an analog. Using our best estimate for the annual mean surface temperature at Gale at this time (approx. 230K) we computed the thickness of an ice-covered lake. These thickness range from 10-30 meters depending on the ablation rate and ice transparency and would likely inhibit sediments from entering the lake. Thus, a first conclusion is that the ice must not be too cold. Raising the mean temperature to 245K is challenging, but not quite as hard as reaching 273K. We found that a mean annual temperature of 245K ice thicknesses range from 3-10 meters. These values are comparable to the range of those for the Antarctic lakes (3-6 m), and are not implausible. And they are not so thick that sediments cannot penetrate the ice. For the ice-covered lake hypothesis to work, however, a melt water source is needed. This could come from subaqueous melting of a glacial dam in contact with the lakes (as is the case for Lake Untersee) or from seasonal melt water from nearby glaciers (as is the case for the Dry Valley lakes). More work is needed to better assess these possibilities. However, the main advantage of the ice-covered lake model (and the main reason we pursued it) is that it relaxes the requirement for a long-lived active hydrological cycle involving rainfall and runoff, which no climate model is able to produce given known constraints on the early Mars environment.

Antarctic lakes↗

NASA NTRS2016

The Antarctic Analogy for Ancient Lakes at Gale Crater, Mars

In place of the dual choice of “warm and wet” versus “cold and dry” Mars, we reconcile in this paper the notion of a cold Mars with the notion of wet Mars. Both the geological evidences at Gale's for the presence of liquid water during the Hesperian (Grotzinger et al., Science, 350 (6257), 2015) and the failure of climate models make Mars warm (Wordsworth, Review of Earth and Planetary Science, 44, 1-31, 2016) suggested that an alternative scenario could be envisioned. The lake Untersee, Antarctica is an inspiring example of how an aqueous environment can survive for an extended period of the time in a place where the day average temperatures never, ever, each 273K. The key process which maintains a liquid, potentially habitable, environment under the ice is the subaqueous melting of a glacial dam in contact with the lake which provides a constant latent heat flux into the lake (McKay et al, in preparation) Our calculations showed that for certain range of pressures, temperatures and ice optical properties, a large body of water at Gale's will not freeze solid even if the surface temperatures are at all times well below freezing. The rather high sublimation rates of ice at Mars', the sunlight penetrating the ice and the geothermal flux contribute to stabilize the solid/liquid interface at a certain depth. We found that for a mean annual temperature of 245K ice thicknesses range from 3-10 meters which are comparable values to the range of those for the Antarctic lakes (2-7m). Thus, the ice potentially gets thin enough to let sediments penetrate the ice (Rivera-Hernandez et al., in preparation) and geological features associated with aqueous environments may still be possible with a perennially-covered lake, on cold, but wet planet. The Antarctic lakes model is engaging as it relaxes the requirement for a long-lived active hydrological cycle.

The lake Untersee↗