Computational techniques to relate the mechanical properties of nano-porous particle-polymer composites with their microstructural characteristics

This paper is a summary of conjoined particle packing, statistical and numerical methods; aimed at understanding how microstructural features of particulate composites influence their unique mechanical properties. Monte Carlo integration was used as a means of packing and binding poly-disperse circular particles. The final 2-dimensional microstructures were statistically characterised. A finite element method was used to calculate the global tensile modulus of each packing, as well as identifying the primary routes of force transfer through the packing. The mechanical properties of composites are normally associated with the fractions of materials present. As a result of the increased microstructural complexity of porous particle-polymer composites, the traditional notion of material fraction influence is non-existent. The mechanical properties of these composites are in fact found to be influenced primarily by the distribution of material and its effect on the transfer of force. The position, shape and size of pores relative to the angles, shapes, sizes and positions of the solid materials are the determinants of force transfer. A mathematical model is derived, which links fundamental aspects of the porous composite microstructures to the elastic modulus.