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Continuum Level Modeling (Material Point Method).
Few representative publications: 1) Xue, L; Borodin, O.; Smith, G. D.; Nairn, J. “Micromechanics Simulations of Viscoelastic Properties of Highly Filled Composites by Material Point Method (MPM)”, Modelling Simul. Mater. Sci. Eng. 2006,14 , 703-720. 2) Borodin, O., Xue, L.; Bedrov, D.; Smith, G.D.; Nairn, J.; “Multiscale Modeling Of Viscoelastic Properties of Polymer Nanocomposites”.J Polymer Sci.: Part B: Polymer Phys., 2005, 43, 1005-1013. 3) Bardenhagen, S. G., A. D. Brydon et al. “Coupling Grain Scale and Bulk Mechanical Response for PBXs using Numerical Simulations of Real Microstructures” AIP Conference Proceedings 845, 479-82. 4) Brydon, A. D., S. G. Bardenhagen et al. “Simulation of the densification of real open-celled foam microstructures” Journal of the Mechanics and Physics of Solids 2005, 53, 2638. |
Properties obtained from atomistic or coarse-grained simulations can be further used for parameterization of constitutive models for continuum level simulations such as e.g particle based MPM approach where the material is discretized into a collection of material points. In this method, the solution is tracked on the material points by updating all required properties such as: position, velocity, concentration, using a background grid that serves as a computational scratch pad for solving the equations of motion. There are two major advantaged for using MPM over conventional finite element method in simulations of structurally complex materials: (a) digitization of simulation system into material points is an easily-automated process; (b) the simplicity of implementing position-dependent material properties to account for variation of local properties. These advantages proved very valuable in the previous MPM simulations of homogenization of viscoelastic properties of highly filled composites, polymer nanocomposites with position dependent polymer properties, high copressions of foams and composite materials.