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Results for “CONFIGURATION INTERACTION”
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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Plasma sheath effects and voltage distributions of large high-power satellite solar arrays
Knowledge of the floating voltage configuration of a large array in orbit is needed in order to estimate various plasma-interaction effects. The equilibrium configuration of array voltages relative to space depends on the sheath structure. The latter dependence for an exposed array is examined in the light of two finite-sheath effects. One effect is that electron currents may be seriously underestimated. The other is that a potential barrier for electrons can occur, restricting electron currents. A conducting surface is assumed on the basis of a conductivity argument. Finite-sheath effects are investigated. The results of assuming thin-sheath and thick-sheath limits on the floating configuration of a linearly connected array are studied. Sheath thickness and parasitic power leakage are estimated. Numerically computed fields using a 3-D code are displayed in the thick-sheath limit.
An investigation of bleed configurations and their effect on shock wave/boundary layer interactions
The design of high efficiency supersonic inlets is a complex task involving the optimization of a number of performance parameters such as pressure recovery, spillage, drag, and exit distortion profile, over the flight Mach number range. Computational techniques must be capable of accurately simulating the physics of shock/boundary layer interactions, secondary corner flows, flow separation, and bleed if they are to be useful in the design. In particular, bleed and flow separation, play an important role in inlet unstart, and the associated pressure oscillations. Numerical simulations were conducted to investigate some of the basic physical phenomena associated with bleed in oblique shock wave boundary layer interactions that affect the inlet performance.
Experimental investigation of leading-edge shock impingement and interaction heating on a 1/80 scale model of a NASA straight wing orbiter configuration at Mach numbers 8 and 16
Leading edge shock impingement and interaction heating on scale model straight wing orbiter
Concealed configuration mixing and shape coexistence in the platinum nuclei
The role of configuration mixing in the Pt region is investigated. The nature of the ground state changes smoothly, being spherical around mass A{approx} 174 and A{approx} 192 and deformed around the mid-shell N= 104 region. Interacting Boson Model with configuration mixing calculations are presented for deformations and isotope shifts. The assumption of the existence of two configurations with very different deformation provides a simple framework to explain the observed isotope shifts systematics.
Stochastic dynamics of penetrable rods in one dimension: Entangled dynamics and transport properties
The dynamical properties of a system of soft rods governed by stochastic hard collisions (SHCs) have been determined over a varying range of softness using molecular dynamics simulations in one dimension and analytic theory. The SHC model allows for interpenetration of the system’s constituent particles in the simulations, generating overlapping clustering behavior analogous to the spatial structures observed in systems governed by deterministic bounded potentials. Through variation of an assigned softness parameter δ, the limiting ranges of intermolecular softness are bridged, connecting the limiting ensemble behavior from hard to ideal (completely soft). Various dynamical and structural observables are measured from simulation and compared to developed theoretical values. The spatial properties are found to be well predicted by theories developed for the deterministic penetrable-sphere model with a transformation from energetic to probabilistic arguments. While the overlapping spatial structures are complex, the dynamical properties can be adequately approximated through a theory built on impulsive interactions with Enskog corrections. Our theory suggests that as the softness of interaction is varied toward the ideal limit, correlated collision processes are less important to the energy transfer mechanism, and Markovian processes dominate the evolution of the configuration space ensemble. For interaction softness close to hard limit, collision processes are highly correlated and overlapping spatial configurations give rise to entanglement of single-particle trajectories.
Crab Waist Collision at DAFNE
DAFNE is an accelerator complex consisting of a double ring lepton collider working at the c.m. energy of the {Phi}-resonance (1.02 GeV) and an injection system. In its original configuration the collider consisted of two independent rings, each {approx}97 m long, sharing two 10 m long interaction regions (IR1 and IR2) where the KLOE and FINUDA or DEAR detectors were respectively installed. A full energy injection system, including an S-band linac, 180 m long transfer lines and an accumulator/damping ring, provides fast and high efficiency electron positron injection also in topping-up mode during collisions. Recently the DAFNE collider has been upgraded in order to implement a new collision scheme based on large Piwinski angle and cancellation of the synchro-betatron resonances by means of electromagnetic sextupoles (Crab-Waist compensation). The novel approach has proved to be effective in improving beam-beam interaction and collider luminosity.
A combined experimental and computational study of the molecular interactions between anionic ibuprofen and water
In this work, we report a detailed study of the microsolvation of anionic ibuprofen, Ibu{sup −}. Stochastic explorations of the configurational spaces for the interactions of Ibu{sup −} with up to three water molecules at the DFT level lead to very rich and complex potential energy surfaces. Our results suggest that instead of only one preponderant structure, a collection of isomers with very similar energies would have significant contributions to the properties of the solvated drug. One of these properties is the shift on the vibrational frequencies of the asymmetric stretching band of the carboxylate group in hydrated Ibu{sup −} with respect to the anhydrous drug, whose experimental values are nicely reproduced using the weighted contribution of the structures. We found at least three types of stabilizing interactions, including conventional CO {sub 2}{sup −}⋯H{sub 2}O, H{sub 2}O⋯H{sub 2}O charge assisted hydrogen bonds (HBs), and less common H{sub 2}O⋯H–C and H{sub 2}O⋯π interactions. Biological water molecules, those in direct contact with Ibu{sup −}, prefer to cluster around the carboxylate oxygen atoms via cyclic or bridged charge assisted hydrogen bonds. Many of those interactions are strongly affected by the formal carboxylate charge, resulting in “enhanced” HBs with increased strengths and degree of covalency. We found striking similarities between this case and the microsolvation of dymethylphosphate, which lead us to hypothesize that since microsolvation of phosphatidylcholine depends mainly on the formal charge of its ionic PO {sub 2}{sup −} group in the polar head, then microsolvation of anionic ibuprofen and interactions of water molecules with eukaryotic cell membranes are governed by the same types of physical interactions.
Anomalous Hall conductivity control in Mn 3 NiN antiperovskite by epitaxial strain along the kagome plane
Antiferromagnetic manganese-based nitride antiperovskites, such as Mn 3 NiN, hold a triangular frustrated magnetic ordering, thanks to their kagome lattice formed by the Mn atoms along the (111) plane. As such, the magnetic frustration imposes a nontrivial interplay between the symmetric and asymmetric magnetic interactions, which can only reach equilibrium in a noncollinear magnetic configuration. Consequently, the associated electronic interactions and their possible tuning by external constraints, such as applied epitaxial strain, play a crucial role in defining the microscopic and macroscopic properties of such topological condensed matter systems. Here, in this paper, we explored and explained the effect of the epitaxial strain imposed within the (111) plane, in which the magnetic and crystallographic symmetry operations are kept fixed, and only the magnitude of the ionic and electronic interactions are tuned. We found a tangible enhancement in the anomalous Hall conductivity along the (111) plane ($σ^{AHE}_{111}$) for compression values, whereas, for tension, the AHC is dramatically reduced. As such, the $σ^{AHE}_{111}$ component fetches a maximum increase of 26%, with respect to the unstrained structure, for a compression value close to –1.5%. Our findings indicate a distinct correlation between the anomalous Hall conductivity and the Berry curvature along the (111) plane as a function of the strain. Finally, the nondivergent Berry curvature acts as the source and the strain as the control mechanism of this anomalous transport phenomenon.
A condensed form of NASTRAN
The Interactive Graphics Finite Element System, IGFES, is described along with its supporting analysis software, graphics terminal support package and hardware configurations. IGFES provides an interactive design tool for structural engineers via pre- and postprocessing of finite element data. The system currently runs on an IBM 360/44 OS-MFT system or a PDP 11/40 DOS/BATCH system. Graphics devices are supported using an inhouse developed, device independent terminal support package. Support is available for the Calcomp 563 drum plotter, Tektronix 4002A storage display terminal and the Lundy Electronics 20 inch standalone refresh display system. IGFES and its associated systems are written in FORTRAN IV.
Vortex-induced heating to cone flaps at Mach 6
Discussion of the local heating effect on the lee-side control flaps of supersonic configurations due to the interaction between vortices and leeward control surfaces at an angle of attack. Considerations are given for an appropriate positioning of control flaps to alleviate such interactions and the resulting thermal effect. Tests are carried out on a sharp right circular cone with two types of flap configurations in a study of oil flow patterns about the cone at selected angles of attack. Splitting of flaps and moving them to positions away from the symmetry plane did reduce the heating but also reduced the average flap pressure and increased flow complexity.
Intermolecular potential energy surface and thermophysical properties of ethylene oxide
A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C{sub 2}H{sub 4}O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.
Magnetic configurations of planetary obstacles
The interaction between planetary magnetospheres and solar wind flow is discussed. A proper planetary magnetosphere results from the interaction of a flowing plasma with a planet having an intrinsic, global, magnetic field of sufficient strength to stand off the impinging plasma. Upstream of such an obstacle a bow shock usually exists. The known magnetospheres have severely asymmetric shapes, being elongated approximately along the solar wind flow direction. Conditions which fundamentally determine the structure of a proper planetary magnetosphere are the state of the externally flowing plasma, the planet's magnetic moment, its vector spin, and the presence and nature of internal plasma sources and any plasma sinks. Planets known to have proper magnetospheres are Earth, Mercury, Jupiter, and Saturn. Uranus and Neptune may also have magnetospheres, with that of Uranus promising to have an exotic field configuration, because the planet's magnetic moment is expected to be nearly aligned with the solar wind flow direction. Venus and Mars are also discussed. Magnetopause surface waves are mentioned.
dynamics of organic-mineral interactions at the metal oxide-solution interface as studied via binding energetics (Final report)
This project focused on addressing longstanding fundamental and experimental uncertainties on how dissolved organic substances (DOS) interact with metal oxide surface under environmentally relevant conditions. By leveraging a custom-built real-time, in-tandem flow adsorption microcalorimetry-UV-Vis/fluorescence spectroscopy platform, we characterized the binding energetics, kinetics and mechanistic pathways driving DOS-metal oxide interactions at temporal resolution on the order of 1-5 seconds. We studied a diverse suite of model organic compounds/substances – including monocarboxylates (e.g. acetate and benzoate), di-carboxylates (oxalate and succinate), amino acids, amino-based nanparticles and natural organic matter – interacting at the mineral-water interface of structurally- and/or chemically distinct metal oxides (including SiO2, boehmite, ferrihydrite, and γ-Al2O3). Our results indicated that DOS-metal oxide interactions are governed by multi-step reaction pathways, often switching between distinct, resolvable enthalpy- and entropy-driven non-electrostatic or electrostatic configurations. To quantify these interactions, we developed and implemented an analytical workflow that integrates peak deconvolution and Monte-Carlo based error propagation to determine site-specific thermodynamic and kinetic parameters for individual binding/debinding events. In addition to resolving apparent first-order rate constants of each event, we were able to quantify associated apparent equilibrium constants as well as free energy, enthalpy and entropy contribution to the activation and subsequent progression of the binding/debinding process across compounds, compound class and metal oxide surfaces. The kinetic-thermodynamic data produced in this study captured how the interplay between oxide surface reactivity and DOS molecular structure jointly drives binding-debinding dynamics. Notably, that at pH below PZC of the oxide surface, neutral species were heavily involved in monocarboxylate binding, while anionic species drove dicarboxylate binding. Also, that among amino acids 1) positional isomers show distinctive binding characteristics to each other while enantiomers show no significant differences in binding characteristics, 2) molecules that bind via outer-sphere complexation show a larger entropic shift between binding and debinding with no impact on oxide surface while 3) inner-sphere interactions increased anion exchange capacity of the oxide surface. The new insights and data from this work has great potential for improving predictive modeling of carbon dynamics and specifically organic-mineral interactions in environmental and industrial systems.
Correlations of peak heating in shock interference regions at hypersonic speeds.
Correlations are given of measured pressure and heat-transfer peaks for shock/boundary-layer interactions and shear layer attachment on configurations with both two- and three-dimensional interactions. The peak values were obtained from an investigation of shock interference heating on hemispheres, a 30-deg included angle wedge, and a 2.54-cm-diam cylindrical leading-edge fin model. The investigation covers data for Mach numbers of 6 and 20 over freestream Reynolds numbers ranging from (3.3 to 25.6) million per meter, and specific heat ratios of 1.4 and 1.67.
Aerodynamic design of propfan powered transports
A case study is presented of the design of efficient propfan transport aircraft configurations, employing standard subsonic and transonic computed codes that have been modified to account for slipstream effects. After numerically simulating the aerodynamics of the interaction of the wing/nacelle configuration with the swirling slipstream, interference effects are assessed and design procedures are provided which may reduce adverse interference phenomena. These procedures are demonstrated for the case of the design of a Mach 0.8-cruise turboprop aircraft.