3 resultados para NON-COVALENT COMPLEX

em Greenwich Academic Literature Archive - UK


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In this past decade finite volume (FV) methods have increasingly been used for the solution of solid mechanics problems. This contribution describes a cell vertex finite volume discretisation approach to the solution of geometrically nonlinear (GNL) problems. These problems, which may well have linear material properties, are subject to large deformation. This requires a distinct formulation, which is described in this paper together with the solution strategy for GNL problem. The competitive performance for this procedure against the conventional finite element (FE) formulation is illustrated for a three dimensional axially loaded column.

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CFD modelling of 'real-life' processes often requires solutions in complex three dimensional geometries, which can often result in meshes where aspects of it are badly distorted. Cell-centred finite volume methods, typical of most commercial CFD tools, are computationally efficient, but can lead to convergence problems on meshes which feature cells with high non-orthogonal shapes. The vertex-based finite volume method handles distorted meshes with relative ease, but is computationally expensive. A combined vertex-based - cell-centred (VB-CC) technique, detailed in this paper, allows solutions on distorted meshes that defeat purely cell-centred physical models to be employed in the solution of other transported quantities. The VB-CC method is validated with benchmark solutions for thermally driven flow and turbulent flow. An early application of this hybrid technique is to three-dimensional flow over an aircraft wing, although it is planned to use it in a wide variety of processing applications in the future.