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At least 37 records · Page 2

Numerical Simulation of High Drag Reduction in a Turbulent Channel Flow with Polymer Additives

The addition of small amounts of long chain polymer molecules to wall-bounded flows can lead to dramatic drag reduction. Although this phenomenon has been known for about fifty years, the action of the polymers and its effect on turbulent structures are still unclear. Detailed experiments have characterized two distinct regimes (Warholic et al. 1999), which are referred to as low drag reduction (LDR) and high drag reduction (HDR). The first regime exhibits similar statistical trends as Newtonian flow: the log-law region of the mean velocity profile remains parallel to that of the Newtonian ow but its lower bound moves away from the wall and the upward shift of the log-region is a function of drag reduction, DR. Although streamwise fluctuations are increased and transverse ones are reduced, the shape of the rms velocity profiles is not qualitatively modified. At higher drag reductions, of the order of 40-50%, the ow enters the HDR regime for which the slope of the log-law is dramatically augmented and the Reynolds shear stress is small (Warholic et al. 1999; Ptasinski et al. 2001). The drag reduction is eventually bounded by a maximum drag reduction (MDR) (Virk & Mickley 1970) which is a function of the Reynolds number. While several experiments report mean velocity profiles very close to the empirical profile of Virk & Mickley (1970) for MDR conditions, the observations regarding the structure of turbulence can differ significantly. For instance, Warholic et al. (1999) measured a near-zero Reynolds shear stress, whereas a recent experiment (Ptasinski et al. 2001) shows evidence of non-negligible Reynolds stress in their MDR flow. To the knowledge of the authors, only the LDR regime has been documented in numerical simulations (Sureshkumar et al. 1997; Dimitropoulos et al. 1998; Min et al. 2001; Dubief & Lele 2001; Sibilla & Baron 2002). This paper discusses the simulation of polymer drag reduced channel ow at HDR using the FENE-P (Finite Elastic non-linear extensibility-Peterlin) model which was used for the first LDR simulation by Sureshkumar et al. (1997). Flow and polymer parameters are close to realistic polymer drag reducing conditions. High drag reductions are achieved by using finite differences and a robust time stepping technique. A minimal channel flow is also used as a numerical experiment to investigate the effect of the outer region turbulent structures on the overall drag at HDR. The drag reducing action of the model is finally studied through the structure of energy transfers from the polymers to the velocity components. This investigation sheds some light on the details of polymer drag reduction.

Dubief, Yves↗

Metal Hydride and Alkali Halide Opacities in Extrasolar Giant Planets and Cool Stellar Atmospheres

The lack of accurate and complete molecular line and continuum opacity data has been a serious limitation to developing atmospheric models of cool stars and Extrasolar Giant Planets (EGPs). We report our recent calculations of molecular opacities resulting from the presence of metal hydrides and alkali halides. The resulting data have been included in the PHOENIX stellar atmosphere code (Hauschildt & Baron 1999). The new models, calculated using spherical geometry for all gravities considered, also incorporate our latest database of nearly 670 million molecular lines, and updated equations of state.

Weck, Philippe F.↗

The UAH/NSSTC Advanced Radar for Meteorological and Operational Research (ARMOR)

The past four years have seen a marked enhancement in meteorological-radar infrastructure and radar-research capability at the University of Alabama-Huntsville (UAH) and National Space Science and Technology Center (NSSTC; a collaborative center supported by UAH, NASA-MSFC and USRA). This enhancement is due in part to the development of the ARMOR C-band dual-polarimetric radar facility (amongst other mobile radar facilities also discussed in this conference). The ARMOR radar, located at Huntsville International Airport, originated as a unique collaboration between university, government and broadcast meteorologists (the very first of its kind relative to concurrent operational, research and broadcast applications of dual-polarimetry). Contributions from each of these entities resulted in the upgrade of a surplus National Weather Service WSR-74C radar to a research-grade C-band polarimetric radar. The initial upgrade of the radar took place in late 2004 with WHNT-TV purchase and installation of a SIGMET (now Vaisala) Antenna Mounted Receiver (AMR), RVP8/RCP8 radar processor/antenna controller, new radome, and a new dual-polarimetric antenna feed. The AMR enabled simultaneous transmit and receive (STSR) capability and hence collection of dual-polarimetric moments. During the initial part of the AMR upgrade the original WSR74C antenna reflector and 250 kW magnetron-transmitter were used. In early 2005, a new 350 kW magnetron transmitter was purchased from Baron Services and installed. In October of 2006 a new high performance parabolic antenna and dual-pol feed (Seavey) were installed together with a new Orbit pedestal. ARMOR Radar control and data delivery are facilitated through the use of T-1 lines that run from the airport to both NSSTC and WHNT-TV in Huntsville. Under current operating protocols radar scanning and product development are completed at NSSTC, though meteorologists at WHNT-TV can also control the radar if desired. In its default scanning configuration the radar is operated 24/7 in an STSR polarimetric rain scan mode alternating with a surveillance scan on a 5-minute cycle; scans separated by 2.5 minutes. Every 2.5 minutes the raw data arrive at NSSTC where they are corrected in real time for attenuation and differential attenuation (using a constrained ZDR/Z-PHI approach) and new products are generated (e.g., rain maps, hydrometeor identification etc.). The raw and derived products are archived at NSSTC and also redistributed locally in real time over the network within NSSTC to the National Weather Service Forecast Office in Huntsville (collocated with NSSTC) for operational use. During periods of interesting weather the radar is often operated in full, sector, or RHI volume modes from NSSTC and coincident with UAH mobile radar or NWS NEXRAD radar platforms as needed.

Petersen, Walter A.↗

LES of Temporally Evolving Mixing Layers by an Eighth-Order Filter Scheme

An eighth-order filter method for a wide range of compressible flow speeds (H.C. Yee and B. Sjogreen, Proceedings of ICOSAHOM09, June 22-26, 2009, Trondheim, Norway) are employed for large eddy simulations (LES) of temporally evolving mixing layers (TML) for different convective Mach numbers (Mc) and Reynolds numbers. The high order filter method is designed for accurate and efficient simulations of shock-free compressible turbulence, turbulence with shocklets and turbulence with strong shocks with minimum tuning of scheme parameters. The value of Mc considered is for the TML range from the quasi-incompressible regime to the highly compressible supersonic regime. The three main characteristics of compressible TML (the self similarity property, compressibility effects and the presence of large-scale structure with shocklets for high Mc) are considered for the LES study. The LES results using the same scheme parameters for all studied cases agree well with experimental results of Barone et al. (2006), and published direct numerical simulations (DNS) work of Rogers & Moser (1994) and Pantano & Sarkar (2002).

Hadjadj, A↗

Comparative Study of Three High Order Schemes for LES of Temporally Evolving Mixing Layers

Three high order shock-capturing schemes are compared for large eddy simulations (LES) of temporally evolving mixing layers (TML) for different convective Mach numbers (Mc) ranging from the quasi-incompressible regime to highly compressible supersonic regime. The considered high order schemes are fifth-order WENO (WENO5), seventh-order WENO (WENO7) and the associated eighth-order central spatial base scheme with the dissipative portion of WENO7 as a nonlinear post-processing filter step (WENO7fi). This high order nonlinear filter method (H.C. Yee and B. Sjogreen, Proceedings of ICOSAHOM09, June 22-26, 2009, Trondheim, Norway) is designed for accurate and efficient simulations of shock-free compressible turbulence, turbulence with shocklets and turbulence with strong shocks with minimum tuning of scheme parameters. The LES results by WENO7fi using the same scheme parameter agree well with experimental results of Barone et al. (2006), and published direct numerical simulations (DNS) work of Rogers & Moser (1994) and Pantano & Sarkar (2002), whereas results by WENO5 and WENO7 compare poorly with experimental data and DNS computations.

Yee, Helen M. C.↗

A Scan through the History of STEM

The development of Scanning Transmission Electron Microscopy (STEM) is outlined from the first developments by Baron Manfred von Ardenne, through the first successful field emission gun STEM by Albert Crewe and his collaborators, to its widespread application today in the era of aberration correction. The review focuses on the development and understanding of incoherent imaging and electron energy loss spectroscopy at atomic resolution and will not include details on microanalysis, low loss imaging, or specialized modes such as cathodoluminescence. Although it attempts to cover all the major advances in approximately chronological order, undoubtedly there are omissions and an overemphasis on developments that the author is most familiar with from his own history.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impacts of Neodymium Complexation on Radiolysis of Tetramethyl Diglycolamide (TMDGA) in Aqueous Solutions

Hydrophilic diglycolamides (DGA) ligands have been explored for use as stripping agents in various lanthanide and actinide partitioning processes.1 The separation of lanthanide fission products and transplutonic actinides can serve multifaceted advantages, in that the separation of neutron poisoning rare earth element (REE) fission products from the minor actinides in used nuclear fuel (UNF) can be mutually beneficial to the fundamental research behind REE separations and UNF separations. Considerable efforts have been devoted to understanding the radiation chemistry of hydrophilic DGAs. However, recent studies with lipophilic DGAs have shown that metal ion complexation can promote significant changes in their radiolytic susceptibility.2,3 These effects have been attributed to various parameters, including delocalization of electron density, the presence of radiolytically more susceptible counter ions, and steric hindrance. As such, it is pivotal for these complexation effects to be more thoroughly probed to establish mechanistic knowledge for their effects on hydrophilic DGA molecules. Here we present a time-resolved electron pulse and accumulated gamma dose irradiation study on neodymium ion complexes of tetramethyl diglycolamide (TMDGA) under aqueous solution conditions. References (1) Rostaing, C.; Poinssot, C.; Warin, D.; Baron, P.; Lorrain, B. Development and Validation of the EXAm Separation Process for Single Am Recycling. Procedia Chem. 2012, 7, 367–373. https://doi.org/doi: 10.1016/j.proche.2012.10.057. (2) Horne, G. P.; Conrad, J. K.; McLachlan, J. R.; Rotermund, B. M.; Cook, A. R.; Celis-Barros, C.; Mezyk, S. P. Impact of Lanthanide Complexation and Temperature on the Chemical Reactivity of N,N,N’,N’-Tetraoctyl Diglycolamide (TODGA) with the Dodecane Radical Cation. Phys. Chem. Chem. Phys. 2023, Under Review. (3) Kimberlin, A.; Saint-Louis, G.; Guillaumont, D.; Camès, B.; Guilbaud, P.; Berthon, L. Effect of Metal Complexation on Diglycolamide Radiolysis: A Comparison between Ex Situ Gamma and in Situ Alpha Irradiation. Phys. Chem. Chem. Phys. PCCP 2022, 24 (16), 9213–9228. https://doi.org/10.1039/d1cp05731f.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Computational simulation of vibrationally resolved spectra for spin‐forbidden transitions

Abstract In this computational study, we illustrate a method for computing phosphorescence and circularly polarized phosphorescence spectra of molecular systems, which takes into account vibronic effects including both Franck‐Condon and Herzberg‐Teller contributions. The singlet and triplet states involved in the phosphorescent emission are described within the harmonic approximation, and the method fully takes mode‐mixing effects into account when evaluating Franck‐Condon integrals. Spin‐orbit couplings, which are responsible for these otherwise forbidden phenomena, are accounted for by means of a relativistic two‐component time‐dependent density functional theory method. The model is applied to two types of chiral systems: camphorquinone, a rigid organic system that allows for an extensive benchmark, and some members of a class of iridium complexes. The merits and shortcomings of the methods are discussed, and some perspectives for future developments are offered.

Egidi, Franco↗

Single atom catalysts on amorphous supports: A quenched disorder perspective

Phenomenological models that invoke catalyst sites with different adsorption constants and rate constants are well-established, but computational and experimental methods are just beginning to provide atomically resolved details about amorphous surfaces and their active sites. This letter develops a statistical transformation from the quenched disorder distribution of site structures to the distribution of activation energies for sites on amorphous supports. We show that the overall kinetics are highly sensitive to the precise nature of the low energy tail in the activation energy distribution. Our analysis motivates further development of systematic methods to identify and understand the most reactive members of the active site distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural changes across thermodynamic maxima in supercooled liquid tellurium: a water-like scenario

Liquid polymorphism is an intriguing phenomenon which has been found in a few single-component systems, the most famous being water. By supercooling liquid Te to more than 130 K below its melting point and performing simultaneous small-angle and wide-angle X-ray scattering measurements, we observe clear maxima in its thermodynamic response functions around 615 K, suggesting the possible existence of liquid polymorphism. A close look at the underlying structural evolution shows the development of intermediate-range order upon cooling, most strongly around the thermodynamic maxima, which we attribute to bond-orientational ordering. The striking similarities between our results and those of water, despite the lack of hydrogen-bonding and tetrahedrality in tellurium, indicate that water-like anomalies may be a general phenomenon among liquid systems with competing bond- and density-ordering.

36 MATERIALS SCIENCE↗

Local correlated motions in aqueous solution of sodium chloride

Real-space motions of molecules and ions in an aqueous solution of sodium chloride are studied with high-resolution inelastic x-ray scattering. In this study, we focus on the correlated dynamics of water molecules and salt ions, instead of the instantaneous structure and the rotational and reorientation dynamics that have been studied using scattering techniques and optical spectroscopy, respectively. The real-space analysis in terms of the Van Hove function illustrates the effect of salt ions to slow down the local correlated dynamics of surrounding water in the hydration shells.

36 MATERIALS SCIENCE↗

Evidence that most type-1 AGNs are reddened by dust in the host ISM

The typical optical–UV continuum slopes observed in many type-1 active galactic nuclei (AGNs) are redder than expected from thin accretion disk (AD) models. A possible resolution to this conundrum is that many AGNs are reddened by dust along the line of sight. To explore this possibility, we stack 5000 SDSS AGNs with luminosity L≈10{sup 45} erg s{sup −1} and redshift z∼0.4 in bins of optical continuum slope α{sub opt} and width of the broad Hβ emission line. We measure the equivalent width (EW) of the NaID absorption feature in each stacked spectrum. We find a linear relation between α{sub opt} and EW(NaID), such that EW(NaID) increases as α{sub opt} becomes redder. In the bin with the smallest Hβ width, objects with the bluest slopes, which are similar to AD predictions, are found to have EW(NaID)=0, supporting the line of sight dust hypothesis. This conclusion is also supported by the dependence of the Hα/Hβ line ratio on α{sub opt}. The implied relationship between continuum slope and dust reddening is given by E{sub B−V}≈0.2⋅(−0.1−α{sub opt}), and the implied reddening of a typical type-1 AGN with α{sub opt}=−0.5 is E{sub B−V}≈0.08 mag. Photoionization calculations show that the line of sight dusty gas responsible for reddening is too ionized to produce the observed sodium features. Therefore, we argue that the sodium absorption arises in regions of the host ISM that are shielded from the AGN radiation along lines of sight to the stars, and the correlation with α{sub opt} arises since ISM columns along shielded and non-shielded sightlines are correlated. This scenario is supported by the similarity of the relation between E{sub B−V} and the Na i column implied by our results with the relation in the Milky Way found by previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Recent Results at Ultrahigh Spin: Terminating States and Beyond in Mass 160 Rare-earth Nuclei

A classic region of band termination at high spin occurs in rare-earth nuclei with around ten valence nucleons above the < sup > 146 < /sup > Gd closed core. Results are presented here for such non-collective oblate (γ = 60°) terminating states in odd-Z < sup > 155 < /sup > Ho, odd-odd < sup > 156 < /sup > Ho, and even-even < sup > 156 < /sup > Er, where they are compared with neighbouring nuclei. In addition to these particularly favoured states, the occurrence of collective triaxial strongly deformed (TSD) bands, bypassing the terminating states and extending to over 65h, is reviewed.

Paul, E. S.↗