We derive a generalized model for isotropic as well as anisotropic crystal lattice systems of arbitrary Poisson ratio within the framework of the continuum phase-field crystal (PFC) approach (Elder and Grant 2004 Phys. Rev. E 70 051606). To this end we extend the simplest PFC model defined by a free energy functional, which is based upon the Swift-Hohenberg model of pattern formation (Swift and Hohenberg 1993 Phys. Rev. A 15 851) to a conservative, anisotropic Langevin equation. By studying heterogeneous nucleation of ellipsoidal colloids at a wall, we demonstrate the capacity of our approach to contribute to the more precise understanding of condensed matter systems built up from non-spherical units at the atomic scale. In particular we address the question of how (a) the orientation of the ellipsoids as well as (b) the interaction potential with the wall determine the resulting contact angle.
The article presents a user interface for modelling of textile composites, which combines open XML input and output formats with scripting for definitions of the reinforcement models under (local) shear, tension and compression deformations. The open input format (parameters of the textile reinforcement) allows easy integration of a meso-level (unit cell) textile processor upstream – with, for example, textile process modelling software or forming models, which define local parameters of the textile reinforcement. The scripting command format makes possible automated processing of the information on local reinforcement deformation conditions, and offers itself to be integrated in user software without accessing or knowing internal computational procedures or native data formats of meso-level textile processor. The open output format allows transferring the results of the meso-level textile processor downstream to meso-level models of the micromechanics or the permeability of a textile composite unit cell. These results can be further streamed to allow macro-level structural, forming or impregnation analysis. The integration approach is illustrated for meso-level textile processor – WiseTex software, integrated with processing of digital images and calculations of the fabric permeability tensor, micromechanics models and meso-level finite element ABAQUS model.
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