Computer simulations of water-mediated force between phospholipid membranes

The knowledge of forces operating between phospholipid bilayer membranes in water and aqueous solutions is a prerequisite for understanding membrane-membrane coupling phenomena such as stacking, adhesion, and fusion. This explains the substantial efforts undertaken in the last two decades to measure and rationalize the intermembrane force as a function of separation, with an emphasis on short-range repulsion. Despite considerable progress in experimental measurements, the interpretation of the force-distance curves in terms of physically distinct force components involves serious difficulties because the experiment provides only the total magnitude of the force. All this imparts importance to computer simulations, that allow direct evaluation of the intermembrane force and its components through the respective ensemble averages. In this paper we briefly review these computer simulations, as well as some relevant studies. The simulation results are discussed in the context of the existing theories of the intermembrane forces.     

Analysis of Compression Stress of a Filler and Bending of a Sandwich Panel under Multipoint Loading

The distribution of transverse stresses in the midlayer of a composite sandwich panel under multipoint loading is investigated. The stresses averaged across the thickness of a soft filler are estimated using a discrete model. Finite expressions for the compression of the filler along the length of the panel are derived by means of superposition of the local effects from the bending of face layers under an infinite system of transverse point forces constant across the panel thickness. The effects of compression and transverse extension of the filler, in the case of a high distribution frequency of these forces, i.e., when the distance between the forces is comparable to the panel thickness, are revealed. Compression of the panel by two systems of forces applied symmetrically or nonsymmetrically to the upper and lower faces is considered. The bending characteristics in the cases of loading with point forces and piecewise distributed loads are compared. The formulas obtained are used to determine the length of a small region on the panel surface for which the local effects from the distributed pressure and the point force are equivalent. The corresponding estimates are obtained in a closed form. The analysis, carried out with varied parameters of the structure, allows us to elucidate the peculiarities of the effect of discontinuous loads on the design characteristics in the local zones, using finite expressions derived by the operational method.     

Gas damping force noise on a macroscopic test body in an infinite gas reservoir

We analyze here the force noise associated with the mechanical damping of a test body surrounded by a large volume of rarefied gas, considering the statistics of momentum exchange in inelastic molecular collisions. In addition to calculating the force noise on a cube, sphere, and cylinder, we discuss the limits in applying this analysis to experimental configurations in which the test body is surrounded by an enclosure that is only slightly larger than the test body itself.     

Evaluation of linear and nonlinear convection schemes on multidimensional non‐orthogonal grids with applications to KVLCC2 tanker

Almost all evaluations of convection schemes reported in the literature are conducted using simple problems on uniform orthogonal grids; thus, having limited contribution when solving industrial computational fluid dynamics (CFD), where the grids are usually non‐orthogonal with distortions. Herein, several convection schemes are assessed in uniform and distorted non‐orthogonal grids with emphasis on industrial applications. Linear and nonlinear (TVD) convection schemes are assessed on analytical benchmarks in both uniform and distorted grids. To evaluate the performance of the schemes, four error metrics are used: dissipation, phase and L₁ errors, and the schemes' effective order of accuracy. Qualitative and quantitative deterioration of these error metrics as a function of the grid distortion metrics are investigated, and rigorous verifications are performed. Recommendations for effective use of the convection schemes based on the range of grid aspect ratio (AR), expansion ratio (ER) and skewness (Q) are included. A ship hydrodynamics case is studied, involving a Reynolds averaged Navier–Stokes simulation of a bare‐hull KVLCC2 tanker using linear and nonlinear convection schemes coupled with isotropic and anisotropic Reynolds‐stress (ARS) turbulence models using CFDShip‐Iowa v4. Predictions of local velocities and turbulent quantities from the midships to the nominal wake plane are compared with experimental fluid dynamics (EFD), and rigorous verification and validation analyses for integral forces and moments are performed for 0° and 12° drift angles. Best predictions are observed when coupling a second‐order TVD scheme with the anisotropic turbulence model. Further improvements are observed in terms of prediction of the vortical structures for 30° drift when using TVD2S‐ARS coupled with DES. Copyright © 2009 John Wiley & Sons, Ltd.     

Uniform attractor for nonautonomous incompressible non-Newtonian fluid with a new class of external forces

This paper is joint with [27]. The authors prove in this article the existence and reveal its structure of uniform attractor for a two-dimensional nonautonomous incompressible non-Newtonian fluid with a new class of external forces.     

Effets des forces de Coriolis sur le seuil convectif stationnaire d'une couche liquide confinée en cellule de Hele–Shaw annulaire en rotationEffects of the Coriolis forces on the stationary convectif threshold of a liquid layer confined in an annular Hele–Shaw Cell in rotation

The convective instability of a horizontal liquid layer confined in an annular Hele–Shaw cell subject to a constant rotation and submitted to a centrifugal gradient of temperature is investigated. Using a linear stability analysis, we study the effects of both Coriolis forces and curvature aspect on the stationary convective threshold when the Prandtl number is of the order of unity or larger than unity. We show that the Coriolis forces have a stabilizing effect, and the wave number is independent of these forces. However, a multicellular regime in the radial direction is observed for small Ekman numbers. The results related to the influence of the curvature are also shown. To cite this article: S. Ramezani et al., C. R. Mecanique 330 (2002) 633–640.     

Interaction between aromatic amine cations and nonpolar solvents: Infrared spectra of isomeric aniline -Ar n ( ) complexes

Infrared (IR) photodissociation spectra of the aniline⁺-Ar_n cations, An ⁺ - Ar _n (n = 1, 2), are analyzed in the vicinity of the N-H stretch fundamentals. The complexes are produced in an electron impact (EI) ion source which produces predominantly the most stable cluster isomers. Two isomers of An⁺-Ar are identified by their characteristic N-H stretch frequencies: the planar proton-bound global minimum, in which the Ar ligand forms a nearly linear H-bond to the amino group, and the less stable π-bound local minimum, in which the Ar atom is attached to the π-electron system of the aromatic ring. This result is the first unambiguous detection of the most stable H-bound An⁺-Ar dimer. All previous spectroscopic studies of An⁺-Ar employed resonance enhanced multiphoton ionization (REMPI) of neutral An-Ar and identified only the less stable π-bound cation due to restrictions arising from the Franck-Condon principle. The EI-IR spectrum of An⁺-Ar₂ shows that the most stable structure of this trimer features two equivalent H-bonds (C_2v symmetry). The interpretation of the experimental data is supported by quantum chemical calculations. The ab initio potential of An⁺-Ar calculated at the UMP2/6-311G(2df, 2pd) level features H-bound global minima ( D _e = 513 cm^-1) and π-bound local minima ( D _e = 454 cm^-1), with a barrier of V _b ≈ 140 cm^-1 for isomerization from the π-bound toward the H-bound minimum. Received 4 February 2002 Published online 13 September 2002