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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Liquid and Glass Phases of an Alkylguanidinium Sulfonate Hydrogen-Bonded Organic Framework

Glassy phases of framework materials feature unique and tunable properties that are advantageous for gas separation membranes, solid electrolytes, and phase-change memory applications. However, the structural and chemical diversity of porous frameworks that can be liquified and quenched into a glass has been limited by thermal decomposition at-or below-the high temperatures required to induce a melting transition. Utilizing a desymmetrization strategy, in this work we report a new guanidinium organosulfonate hydrogen-bonded organic framework (HOF) that melts and vitrifies below 100 °C. In this low-temperature regime, non-covalent interactions between guest molecules and the porous framework become a dominant contributor to the overall stability of the structure, resulting in unusual phase behavior such as guest dependent melting, glass, and recrystallization transitions. Through molecular dynamics simulations and pair distribution function analysis, we show that the local structure of the amorphous liquid and glass phase resembles that of the parent crystalline framework. Access to molten phases of framework materials at moderate temperatures should permit the use of more thermally sensitive functional groups and enhance the structural control and tunability that can be realized in network-forming glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Entropy Engineering and Tunable Magnetic Order in the Spinel High-Entropy Oxide

Spinel oxides are an ideal setting to explore the interplay between configurational entropy, site selectivity, and magnetism in high-entropy oxides (HEOs). In this work, we characterize the magnetic properties of the spinel (Cr, Mn, Fe, Co, Ni) 3 O 4 and study the evolution of its magnetism as a function of nonmagnetic gallium substitution. Across the range of compositions studied here, from 0 to 40% Ga, magnetic susceptibility and powder neutron diffraction measurements show that ferrimagnetic order is robust in the spinel HEO. However, we also find that the ferrimagnetic order is highly tunable, with the ordering temperature, saturated and sublattice moments, and magnetic hardness all varying significantly as a function of Ga concentration. Through X-ray absorption and magnetic circular dichroism, we are able to correlate this magnetic tunability with strong site selectivity between the various cations and the tetrahedral and octahedral sites in the spinel structure. In particular, we find that while Ni and Cr are largely unaffected by the substitution with Ga, the occupancies of Mn, Co, and Fe are each significantly redistributed. Ga substitution also requires an overall reduction in the transition metal valence, and this is entirely accommodated by Mn. Finally, we show that while site selectivity has an overall suppressing effect on the configurational entropy, over a certain range of compositions, Ga substitution yields a striking increase in the configurational entropy and may confer additional stabilization. In conclusion, spinel oxides can be tuned seamlessly from the low-entropy to the high-entropy regime, making this an ideal platform for entropy engineering.

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

Tailoring tokamak error fields to control plasma instabilities and transport

A tokamak relies on the axisymmetric magnetic fields to confine fusion plasmas and aims to deliver sustainable and clean energy. However, misalignments arise inevitably in the tokamak construction, leading to small asymmetries in the magnetic field known as error fields (EFs). The EFs have been a major concern in the tokamak approaches because small EFs, even less than 0.1%, can drive a plasma disruption. Meanwhile, the EFs in the tokamak can be favorably used for controlling plasma instabilities, such as edge-localized modes (ELMs). Here we show an optimization that tailors the EFs to maintain an edge 3D response for ELM control with a minimized core 3D response to avoid plasma disruption and unnecessary confinement degradation. We design and demonstrate such an edge-localized 3D response in the KSTAR facility, benefiting from its unique flexibility to change many degrees of freedom in the 3D coil space for the various fusion plasma regimes. This favorable control of the tokamak EF represents a notable advance for designing intrinsically 3D tokamaks to optimize stability and confinement for next-step fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Polarization control in spin-transparent hadron colliders by weak-field navigators involving lattice enhancement effect

Hadron polarization control schemes for Spin Transparent (ST) synchrotrons are analyzed. The spin dynamics and beam polarization in such synchrotrons are controlled by spin navigators (SN) which are special small insertions of weak magnetic fields. An SN stabilizes the beam polarization and allows for setting any desirable spin orientation at an interaction point in the operational regime, including a frequent spin flip. We present a general approach to design of SNs. We distinguish different types of SNs, namely, those not causing closed orbit perturbation as well as those producing local and global orbit distortions. In the second case, the concept of the spin response function in an ST synchrotron is applied and expanded to reveal the effect of the SN strength enhancement by magnetic lattice of the synchrotron. We provide conceptual schemes for SN designs using longitudinal and transverse magnetic fields allowing for polarization control at low as well as high energies. We also develop the ST concept for ultra-high energies. This development may enable and stimulate interest in polarized beam experiments in possible polarized collider projects such as Large Hadron Collider (LHC), Future Circular Collider (FCC) and Super Proton Proton Collider (SPPC).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Increasing CO 2 Capture Rate in Liquid-Solvent Direct-Air Carbon Capture via Additive Manufacturing

Carbon capture is essential to meeting climate change mitigation goals. One approach currently being commercialized utilizes liquid-based solvents to capture CO 2 directly from the atmosphere but is limited by slow absorption of CO 2 into the liquid. Improved air/solvent liquid mixing increases CO 2 absorption rate, and this increased CO 2 absorption efficiency allows for smaller carbon capture systems with lower capital costs and better economic viability. In this project, we study the use of passive micromixers fabricated by metal additive manufacturing. The micromixer’s small-scale surface geometric features perturb and mix the liquid film to enhance mass transfer and CO 2 absorption. In this project, we evaluated this hypothesis through computational and experimental studies. Computational investigations focused on developing capabilities to simulate thin film (~ 100μm) fluid flow on rough surfaces. Such thin films are in a surface-tension dominated regime and simulations in this regime are prone to instabilities. Improvements to the Nalu code completed in this project resulted in a 10x timestep stability improvement for these problems.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Wind tunnel experiments relating to supersonic and hypersonic boundary layer transition

Hot-wire anemometry is used to study the origin and growth of 'natural' fluctuations in zero pressure gradient boundary layers and the location of transition to turbulence for several Mach numbers between 1.6 and 8.5. The importance to transition of certain physical mechanisms is examined through comparison of the fluctuation growth with the sound-forcing and stability theories of Mack. The mechanisms are shown to assume varying importance in low supersonic, high supersonic and hypersonic regimes. The effect on transition of cone angle of attack, tip heating, and model vibration is mentioned.

Kendall, J. M.↗
NASA NTRS1978

Performance evaluation of the SAO VLG-11 atomic hydrogen masers

A new generation of frequency standards, the VLG-11 hydrogen maser, has been designed and built at the Smithsonian Astrophysical Observatory (SAO). A comprehensive series of environmental and short-term stability tests on three VLG-11 masers has been completed and evaluated. The test results reported here show substantial improvements over previous hydrogen masers in measured sensitivity to variations in ambient temperature, barometric pressure, and magnetic fields. The maser frequency stability, as represented by the two-sample (Allan) variance, has been measured for averaging times ranging from 1 to 100,00 seconds. The variance is lower than 1 x 10 to the -15th for averaging intervals between 1400 and 20,000 seconds. For times shorter than 4000 seconds, the measured stability data agree remarkably well with theoretical values calculated from thermal noise mechanisms and the 'noise within the linewidth' regime is clearly discernable in the data.

Levine, M. W.↗
NASA NTRS1987

Prediction of transition on a flat plate under the influence of free-stream turbulence using low-Reynolds-number two-equation turbulence models

The prediction characteristics and capabilities of two popular two-equation low-Reynolds-number turbulence models (Jones, Launder 1972; Lam, Bremhorst 1981) have been evaluated with respect to the prediction of transition of a flat plate under the influence of free-stream turbulence. The sensitivity of the predictions to free-stream turbulence intensity, initial starting location of the calculation, and the assumed initial starting profiles for k and epsilon has been determined and presented. Although both models predict the correct qualitative characteristics of transition, they also exhibit significant quantitative deficiencies with regard to both the predicted location and the length of transition. A modification to the production term in the turbulent kinetic energy equation is proposed which is based on a simple stability criterion and correlated to the free-stream turbulence level. The modification becomes inactive in the fully turbulent regime, but is shown to improve both the qualitative and quantitative characteristics of the transition predictions.

Schmidt, Rodney C.↗
NASA NTRS1990

On the instability of Goertler vortices to nonlinear travelling waves

Recent theoretical work by Hall and Seddougui (1989) has shown that strongly nonlinear, high wavenumber Goertler vortices developing within a boundary layer flow are susceptible to a secondary instability which takes the form of travelling waves confined to a thin region centered at the outer edge of the vortex. The case is considered in which the secondary mode could be satisfactorily described by a linear stability theory and herein the objective is to extend this investigation of Hall and Seddougui (1989) into the nonlinear regime. It was found that at this stage not only does the secondary mode become nonlinear but it also interacts with itself so as to modify the governing equations for the primary Goertler vortex. In this case then, the vortex and the travelling wave drive each other and, indeed, the whole flow structure is described by an infinite set of coupled, nonlinear differential equations. A Stuart-Watson type of weakly nonlinear analysis of these equations is undertaken and concluded, in particular, that on this basis there exist stable flow configurations in which the travelling mode is of finite amplitude. Implications of the findings for practical situations are discussed and it is shown that the theoretical conclusions drawn here are in good qualitative agreement with available experimental observations.

Seddougui, Sharon O.↗
NASA NTRS1995

Effects of confinement on partially premixed flames

Partially premixed combustion is an intermediate regime between the limiting cases of premixed and nonpremixed combustion. Although combustion problems are generally approached from one of these two limiting cases, there are many practical situations where flames cannot be considered as purely premixed or nonpremixed, and thus the partially premixed approach must be used. In partially premixed combustion, mechanisms from the premixed and nonpremixed regimes can coexist, and as a result some interesting new phenomena can arise. One such phenomenon is the flame stabilization in laminar mixing layers by triple flames. One of the first observations of triple flames was made by Phillips (1965), who investigated a triple flame propagating in a methane mixing layer. Kioni et al. (1993) also examined triple flames both experimentally and numerically. There have also been numerous analytical studies on the shape and propagation of triple flames under various assumptions by Dold (1989), Dold et al. (1991), and Hartley and Dold (1991). In terms of modeling, Muller et al. (1994) have combined the flamelet formulations for premixed and nonpremixed combustion in order to treat lifted diffusion flames. One common feature in the analytical and numerical studies mentioned above is the assumption of zero heat release, which is necessary to make the problem tractable. The effect of heat release on triple flames was investigated by Ruetsch et al. (1995), where for the unconfined case, flame speeds larger than their premixed counterparts were found. One of the most important practical situations in which these conditions arise is in lifted turbulent jet diffusion flames. At a critical velocity the burning zone of a fuel jet lifts off from the nozzle, moves to increasing distances as the jet velocity increases, and finally blows off. The mechanisms that control these phenomena, i.e. that determine the stability of these flames, are still not understood. In addition to regions where diffusion flame stabilization takes place, partially premixed conditions also exist during the ignition process in nonpremixed systems. Numerical simulations by Reveillon et al. (1994) of the ignition process in a weakly stirred mixture of fuel and oxidizer show that triple flames propagate along lines of stoichiometric mixture fraction throughout the fluid. In addition, Peters (1994) notes that NO(x) emissions are likely to be large in such transient cases, and therefore an understanding of triple flames can provide information concerning pollutant formation. This study extends the work previously done and examines the effects of lateral confinement on partially premixed flames. Once again, we study both the flame structure and propagation.

Ruetsch, G. R.↗
DOE OSTI2026

Strong-Drive Limits in Josephson Circuits: From Chaos to an Unbound-Resonance Threshold

Strong microwave drives enable fast measurement and parametric control in superconducting circuits but can induce transitions out of the intended low-energy manifold. We develop a unified description of strong-drive limits in flux- and charge-driven Josephson circuits across drive frequency and dc flux bias. Using classical phase-space analysis and Floquet--Markov simulations, we identify distinct low- and high-frequency mechanisms. At low frequency, we characterize bound-state resonances and separatrix chaos and find that the flux-drive chaos threshold depends strongly on dc flux bias. At high frequency, these mechanisms are suppressed, and the dissipative steady state transfers from the central bound-state sector to outer resonances formed by above-barrier running trajectories. The resulting unbound-resonance threshold is nearly independent of drive frequency and circuit parameters over the regime studied and is controlled primarily by dc flux bias. Coherent simulations show that parametric operation persists beyond this threshold, but at a reduced rate, setting an effective upper bound on the achievable operation speed. We derive analytical criteria for both thresholds, validate them numerically, and experimentally confirm the predicted dc-bias dependence of the low-frequency threshold in a flux-driven SQUID. We also determine the timescales for transfer into the unbound-resonance regime and relaxation back to the bound-state manifold after the drive is removed. Finally, we relate the stability limits to a complementary picture based on the junction critical current and extend the framework to multitone drives and inductively shunted circuits. Together, these results identify the mechanisms limiting strong driving and suggest routes to extend the stable operating range of Josephson circuits.

You, Xinyuan [Fermilab] (ORCID:0000000291789419)↗
NASA NTRS2017

Instability Wave-Streak Interactions in a Supersonic Boundary Layer

Optimal initial conditions for transient growth in a two-dimensional boundary layer flow correspond to stationary, counter-rotating vortices that subsequently develop into streamwise elongated streaks, which are characterized by an alternating pattern of low and high streamwise velocity. For incompressible flows, previous studies have shown that boundary layer modulation due to streaks below a threshold amplitude level can stabilize the Tollmien-Schlichting instability waves, resulting in a delay in the onset of laminar-turbulent transition. In the supersonic regime, the linearly, most-amplified waves become three-dimensional, corresponding to oblique, first-mode waves. This change in the character of dominant instabilities leads to an important change in the transition process, which is now dominated by oblique breakdown via nonlinear interactions between pairs of first-mode waves that propagate at equal but opposite angles with respect to the free stream. Because the oblique breakdown process is characterized by a rapid amplification of stationary streamwise streaks, artificial excitation of such streaks may be expected to promote transition in a supersonic boundary layer. Indeed, suppression of those streaks has been shown to delay the onset of transition in prior literature. Consistent with those findings, the present study shows that optimally growing stationary streaks indeed destabilize the first-mode waves, but only when the spanwise wavelength of the instability waves is equal to or smaller than twice the streak spacing. Transition in a benign disturbance environment typically involves first-mode waves with significantly longer spanwise wavelengths, and hence, these waves are stabilized by the optimal growth streaks. Thus, as long as the amplification factors for the destabilized, short wavelength instability waves remain below the threshold level for transition, a significant net stabilization is achieved, yielding a transition delay that is comparable to the length of the laminar region in the uncontrolled case.

Boundary layer transition↗
NASA NTRS1983

A linear analysis of the transition curve for the baroclinic annulus

A primitive equation linear model is shown to be capable of quantitatively predicting the neutral curve for a baroclinic annulus. Flows unstable to small nonaxisymmetric perturbations are assumed to lie on the nonaxisymmetric side of a transition curve, while the stable flows are on the axisymmetric side. The stability in the presence of perturbations is tested with linearized hydrostatic primitive equations. Attention is given to the fastest growing eigenmodes, demonstrating that the linear and nonlinear wave have similar structures at a particular point in the nonaxisymmetric regime. All the waves are similar to the Eddy wave except at the extreme to the transition curve, where the waves maintain little structure with height. The eddy kinetic energy is baroclinic with a potential energy suppresed by the large static stability of the basic state. Eddy dissipation is noted to be significant near all boundaries.

Miller, T. L.↗
NASA NTRS1990

An aerodynamic tradeoff study of the scissor wing configuration

A scissor wing configuration, consisting of two independently sweeping wings was numerically studied. This configuration was also compared with an equivalent fixed wing baseline. Aerodynamic and stability and control characteristics of these geometries were investigated over a wide range of flight Mach numbers. It is demonstrated that in the purely subsonic flight regime, the scissor wing can achieve higher aerodynamic efficiency as the result of slightly higher aspect ratio. In the transonic regime, the lift to drag ratio of the scissor wing is shown to be higher than that of the baseline, for higer values of the lift coefficient. This tends to make the scissor wing more efficient during transonic cruise at high altitudes as well as during air combat at all altitudes. In supersonic flight, where the wings are maintained at maximum sweep angle, the scissor wing is shown to have a decided advantage in terms of reduced wave drag. From the view point of stability and control, the scissor wing is shown to have distinct advantages. It is shown that this geometry can maintain a constant static margin in supersonic as well as subsonic flight, by proper sweep scheduling. Furthermore, it is demonstrated that addition of wing mounted elevons can greatly enhance control authority in pitch and roll.

Selberg, Bruce P.↗
NASA NTRS1980

Forebody and base region real-gas flow in severe planetary entry by a factored implicit numerical method. I - Computational fluid dynamics

A new code for the simulation of full (forebody and base region) flowfields about bluff bodies in the hypersonic regime of severe planetary entry is described. The present 'maximally conservative, maximally differenced' formulation of the unsteady compressible Navier-Stokes equations for 2-D axisymmetric 3-D flow is contrasted for stability with previous formulations of Viviand, Kutler, et al, and Thomas and Lombard. Discrete metric relations peculiar to the axisymmetric finite volume formulation are presented along with a general discussion of their relations to and consequences of failure to close computational cells. A computational mesh of curvilinear coordinate topology singular in the flow regime is presented that permits aligned capturing of the major physical features of the complex flowfield.

Lombard, C. K.↗
DOE OSTI2021

High‐Efficiency Ion‐Exchange Doping of Conducting Polymers

Abstract Molecular doping—the use of redox‐active small molecules as dopants for organic semiconductors—has seen a surge in research interest driven by emerging applications in sensing, bioelectronics, and thermoelectrics. However, molecular doping carries with it several intrinsic problems stemming directly from the redox‐active character of these materials. A recent breakthrough was a doping technique based on ion‐exchange, which separates the redox and charge compensation steps of the doping process. Here, the equilibrium and kinetics of ion exchange doping in a model system, poly(2,5‐bis(3‐alkylthiophen‐2‐yl)thieno(3,2‐b)thiophene) (PBTTT) doped with FeCl 3 and an ionic liquid, is studied, reaching conductivities in excess of 1000 S cm −1 and ion exchange efficiencies above 99%. Several factors that enable such high performance, including the choice of acetonitrile as the doping solvent, which largely eliminates electrolyte association effects and dramatically increases the doping strength of FeCl 3 , are demonstrated. In this high ion exchange efficiency regime, a simple connection between electrochemical doping and ion exchange is illustrated, and it is shown that the performance and stability of highly doped PBTTT is ultimately limited by intrinsically poor stability at high redox potential.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microstability of β ~ 1 tokamak equilibria

High-power-density tokamaks offer a potential solution to design cost-effective fusion devices. One way to achieve high power density is to operate at a high β value (the ratio of thermal to magnetic pressure), i.e. β~1 . However, a β~1 state may be unstable to various pressure- and current-driven instabilities or have unfavourable microstability properties. To explore these possibilities, we generate β~1 equilibria and investigate their stability. First, we demonstrate the generation of high-β equilibria with the computer code VMEC. We then analyse these equilibria to determine their stability against the infinite-n ideal-ballooning mode. We follow that by engaging in a detailed microstability study using the GS2 code, beginning with assessments of electrostatic ion-temperature-gradient and trapped election mode instabilities. We observe interesting behaviour for the high-β equilibria – stabilization of these modes through two distinct mechanisms – large negative local shear and reversal of electron precession drift. Finally, we perform electromagnetic gyrokinetic simulations and observe enhanced stability in the outer core of high-β equilibria and absence of kinetic ballooning modes in the negative-triangularity, high-β equilibria. The enhanced outer-core stability of high-β equilibria is different from their lower-β counterparts and offers an alternative, potentially favourable regime of tokamak operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Leveraging Intramolecular π-Stacking to Access an Exceptionally Long-Lived 3 MC Excited State in an Fe(II) Carbene Complex

The ability to manipulate excited-state decay cascades using molecular structure is essential to the application of abundant-metal photosensitizers and chromophores. Ligand design has yielded some spectacular results elongating charge-transfer excited state lifetimes of Fe(II) coordination complexes, but triplet metal-centered ( 3 MC) excited states - recently demonstrated to be critical to the photoactivity of isoelectronic Co(III) polypyridyls - have to date remained elusive, with temporally isolable examples limited to the picosecond regime. Here, with this report, we show how strong-field donors and intramolecular π-stacking can conspire to stabilize a long-lived 3 MC excited state for a remarkable 4.1 ± 0.3 ns in fluid solution at ambient temperature. Analysis of variable-temperature time-resolved absorption data using theoretical models ranging from Arrhenius to semiclassical Marcus theory, combined with computational modeling and X-ray crystallography, reveal a Jahn−Teller stabilized excited state with a high activation barrier for ground-state recovery. The net result is a chromophore with a 3 MC excited-state lifetime that is orders of magnitude longer than anything yet observed for an Fe(II) complex.

carbene compounds↗