Morphology of pores and interfaces and mechanical behavior of nanocluster-assembled silicon nitride ceramic

Million atom molecular-dynamics simulations are performed to investigate the structure, dynamics, and mechanical behavior of cluster-assembled Si3N4. These solids contain highly disordered interfacial regions with 50% undercoordinated atoms. Systems sintered at low pressures have percolating pores whose surface morphologies are well characterized by two values of the roughness exponent, 0.46 and 0.86; these are close to the experimental values found by Bouchaud et al. for fracture surfaces. Results for elastic moduli are consistent with a three-phase model for heterogeneous materials.