55,844 research outputs found
Ramachandran conformational energy maps for disaccharide linkages found in Burkholderia multivorans biofilm polysaccharides
No full textRamachandran conformational energy maps have been prepared for all of the glycosidic linkages found in the C1576 exopolysaccharide that constitutes the biofilms of the bacterial species Burkholderia multivorans, a member of the Burkholderia cepacian complex that was isolated from a cystic fibrosis patient. This polysaccharide is a rhamnomannan with a tetrasaccharide repeat unit containing two mannose residues and two rhamnose residues, –[3-α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Rha-(1→3)-α-D-Rha-(1→]n–, where approximately 50% of the rhamnoses are randomly methylated on their O3 hydroxyl groups, further increasing the overall hydrophobicity of the chains. Because of the methylation, the tetrasaccharide repeat unit actually contains six possible linkages. The conformational energy maps are fully adiabatic relaxed maps in which the energy for each (φ,ψ) grid point on the map represents the lowest possible energy for the molecule in that conformation, considering all the combinations of the other degrees of freedom, such as hydroxyl orientations. Molecular dynamics simulations were used to verify that these maps indeed describe the conformational dynamics of these linkages. All six linkages were found to be quite restricted in possible φ angles, but to exhibit several possible low-energy ψ angles, suggesting that these chains could be quite flexible
Electronic Spectroscopy and Dynamics of the CH/D-Ne Van der Waals Complexes
No full text1) W. H. Basinger, U. Schnupf, and M. C. Heaven, {Electronic Spectroscopy and Dynamics Of the CHID-Ne Van der Waals Complex}. Submitted to: Faraday Discussion No. 97. Structure and Dynamics of Van der Waals Complexes. 2) G. W. Lemire, M. J. Mcquaid, A. J. Kotlar, and R. C. Sausa, J. Chem. Phys., 1993, 99, 91.Author Institution: Department of Chemistry, Emory UniversityRotationally resolved spectra for the and transitions of have been recorded. Bands of both the A-X and B-X complexes were observed in association with the monomer 0-0 transition. In addition, complex bands associated with B-X monomer 1-0 transition were also recorded. Analyses of the ro-vibronic structures show that the complex is weakly bound in both the ground (X) and excited (A,B) electronic states. Preliminary results from the analysis of the highly congested A-X bands indicate that intermolecular bond length is unchanged upon excitation. A more detailed analysis is in progress and will be addressed. Analysis of the bands in the B-X system indicate that excitation to the B state reduces the binding energy and lengthens the intermolecular bond. The rotational levels of the X state were characterized by half-integer quantum numbers. This is in contrast to the situation for where the ground state exhibits integer rotational quantum numbers. The n=2 and n=1, k=0 bands in the B-X system showed homogeneous line broading as a result of rotational predissociation of the CH-Ne complex. B-X complex band assignments, rotational constants, and predissociation lifetimes will be discussed. Calculations are currently in progress on A-X system of CH/D-Ne in order to elucidate the origins of the rich rotational contours observed. Details and progress of the calculation will be reported on
A Dynamic Subfilter-scale Stress Model for Large Eddy Simulations Based on Physical Flow Scales
No full textWe propose a new definition of the length scale in an eddy-viscosity model for large-eddy simulations (LES). This formulation extends and generalizes a previous proposal [Piomelli, Rouhi and Geurts, Proc. ETMM10, 2014], in which the LES length scale was expressed in terms of the integral length-scale of turbulence determined by the flow characteristics and explicitly decoupled from the simulation grid; this approach was named Integral Length-Scale Approximation (ILSA). As in the original ILSA, the model coefficient was determined by the user, and required to maintain a desired contribution of the unresolved, subfilter scales (SFS) to the global transport. We propose a local formulation (local ILSA) in which the model coefficient is local in space, allowing a precise control over SFS activity as a function of location. This new formulation preserves the properties of the global model; application to channel flow and backward-facing step verifies its features and accuracy
Large-eddy simulation of a separated flow with a sub-filter scale model based on the integral length-scale
No full textA new sub-filter scale model for large-eddy simulations, which uses a length-scale proportional to the integral scale of the turbulence instead of the grid resolution to parametrize the modelled stresses, will be assessed in the prediction of the flow of a boundary-layer over a rough surface, which includes separation and reattachment
Near Wall PIV-Measurements on the Windward Slope of a Hill
No full textThe turbulent flow over periodic hills was measured near to the wall, using planar Particle-Image-Velocimetry (PIV) at high spatial resolution. Our focus is on the near wall turbulence structure on the windward slope of the hill. For large-eddy simulation (LES) we suspect that, if this was not predicted accurately, it affects the prediction of the velocity profiles over the hill crest which in turn will affect the recirculation length downstream of the hill. Regarding the time averaged velocities, we were able to resolve the linear viscous region of the boundary layer. The velocity distribution and also the Reynolds stress does not comply with the law of the wall as it is valid for a turbulent boundary layer at equilibrium
Energy dissipation and flux laws for unsteady turbulence
No full textDirect Numerical Simulations of spatially periodic unsteady turbulence show that the high Reynolds number scalings of the instantaneous energy dissipation rate and interscale energy flux at intermediate wavenumbers are qualitatively different from the well-known cornerstone scalings of equilibrium turbulence where and are time-dependent rms velocity and integral length-scales. Instead, they both scale as where and are length and velocity scales characterizing initial/overall unsteady turbulence conditions
Direct numerical simulation of turbulent Couette-Poiseuille flow with zero skin friction
No full textThe near-wall scaling of mean velocity U(y) is addressed for the case of zero skin friction on one wall of a fully turbulent channel flow. The present DNS results can be added to the evidence in support of the conjecture that U is proportional to √yw in the region just above the wall at which the mean shear dU/dy = 0
Real-space Manifestations of Bottlenecks in Turbulence Spectra
No full textAn energy-spectrum bottleneck, a bump in the turbulence spectrum between the inertial and dissipation ranges, is shown to occur in the non-turbulent, one-dimensional, hyperviscous Burgers equation and found to be the Fourier-space signature of oscillations in the real-space velocity, which are explained by boundary-layer-expansion techniques. Pseudospectral simulations are used to show that such oscillations occur in velocity correlation functions in one- and three-dimensional hyperviscous hydrodynamical equations that display genuine turbulence
Braid Entropy of Faraday Waves driven 2D Turbulence
No full textWe report new experimental results that use tools from braid theory to characterize two-dimensional turbulent flows driven by Faraday waves. The average topological length of the material fluid lines is found to grow exponentially with time. It allows us to compute the braid’s topological entropy SBraid. We show that SBraid increases as the square root of the turbulence kinetic energy E ~ u^2, where u^2 is the horizontal velocity variance . At long times, the PDFs of Lbraid are positively skewed and present strong exponential tails
Mean flow generation by Görtler Vortices in a rotating annulus with librating side walls
No full textLongitudinal libration of the cylinder side walls of a rotating annulus in the supercritical regime induces a centrifugally unstable Stokes boundary layer which generates Görtler vortices only in a portion of a libration cycle. We show for the first time that these vortices propagate into the fluid bulk and generate an azimuthal mean flow which is retrograde (prograde) over the outer (inner) cylinder side wall. Direct numerical simulations (DNS) are carried out and Reynolds-averaged equations and kinetic energy budget of mean and fluctuating flow are used as diagnostic equations to discuss the generation mechanism and scaling behavior of the azimuthal mean flow in the fluid bulk
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