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The velocity slip on the solid surfaces of microscale cylindrical Couette flow is investigated using the Langmuir adsorption model for the gas-surface molecular interaction. The accommodation coefficient in the Maxwell model, which is a free parameter based on the concept of diffusive reflection, is replaced by a physical parameter of heat adsorption in the Langmuir model. The phenomenon of velocity inversion is then clearly explained by introducing a velocity polar on the hodograph plane. It is also shown that the quantity used to determine the momentum slip in a concentric cylindrical geometry should be based upon the angular velocity, not the velocity itself. Finally, and despite their totally independent considerations of the gas-surface molecular interaction, the Maxwell and Langmuir slip models are shown to be in qualitative agreement with direct simulation Monte Carlo data in capturing the general features of the flow field. [ABSTRACT FROM AUTHOR]

A linear analysis of the vibratory behaviour of initially tensioned orthotropic circular cylindrical shells conveying a compressible inviscid fluid is presented. The model is based on the three-dimensional nonlinear theory of elasticity and the Eulerian equations. A nonlinear strain–displacement relationship is employed to derive the geometric stiffness matrix due to initial stresses and hydrostatic pressures. Frequency-dependent fluid mass, damping and stiffness matrices associated with inertia, Coriolis and centrifugal forces, respectively, are derived through the fluid–structure coupling condition. The resulting equation governing the vibration of fluid-conveying shells is solved by the finite element method. The free vibration of initially tensioned orthotropic cylindrical shells conveying fluid is investigated; numerical examples are given and discussed. [Copyright &y& Elsevier]

A computational pre-processing tool for generating initial configurations of molecules for molecular dynamics simulations in geometries described by a mesh of unstructured arbitrary polyhedra is described. The mesh is divided into separate zones and each can be filled with a single crystal lattice of atoms. Each zone is filled by creating an expanding cube of crystal unit cells, initiated from an anchor point for the lattice. Each unit cell places the appropriate atoms for the user-specified crystal structure and orientation. The cube expands until the entire zone is filled with the lattice; zones with concave and disconnected volumes may be filled. When the mesh is spatially decomposed into portions for distributed parallel processing, each portion may be filled independently, meaning that the entire molecular system never needs to fit onto a single processor, allowing very large systems to be created. The computational time required to fill a zone with molecules scales linearly with the number of cells in the zone for a fixed number of molecules, and better than linearly with the number of molecules for a fixed number of mesh cells. Our tool, molConfig, has been implemented in the open source C++ code OpenFOAM. [ABSTRACT FROM AUTHOR]

Non-equilibrium molecular dynamics simulations are performed to investigate how changing the number of structural defects in the wall of a (7,7) single-walled carbon nanotube (CNT) affects water transport and internal fluid dynamics. Structural defects are modelled as vacancy sites (missing carbon atoms). We find that, while fluid flow rates exceed continuum expectations, increasing numbers of defects lead to significant reductions in fluid velocity and mass flow rate. The inclusion of such defects causes a reduction in the water density inside the nanotubes and disrupts the nearly frictionless water transport commonly attributed to CNTs. [ABSTRACT FROM PUBLISHER]