Generation of nanoporous model using sequential annealing and largest cluster selection method

Using molecular dynamics method, we develop a robust algorithm to generate nanoporous material with considerably natural porous structure. The method consists of sequential heating, relaxation, and quenching of Lennard-Jones meta-material. We vary the binding strength, the equilibrium distance, and the cut-off radius of the interaction potential of each sequence, in order to obtain reasonable melt structure, and agglomeration of the particles into nanowires of the nanofoam. The resulted foamy material has good void and wire size distribution, hence can be applied as target material model on computational study of the physical behaviour of porous materials. The method enables fast creation of the porous media with tuneable values of porosity. (paper)