Microstructure of Nanoceramic during Sintering and Preparation

摘要

The microstructure evolution during sintering and preparation of nanoceramic materials is studied by molecular dynamics (MD) simulation.A 3D model for nanoceramic crystal body including mainly crystal planes of (100) and (1l0) is developed.This model is used to simulate the hot pressing of nanoceramic,especially for SiC,by rapid heating-up and cooling-down under certain pressure.In this model,the Tersoff potential function is used to simulate the interatomic force between atoms.The microstructure during melting process and crystallizing process are investigated by analyzing energy evolution,pair correlation function and the graph of instantaneous place of the atoms.The results show that the microstructure is amorphous after melting,and crystal planes of (100) and (110) are different in density,melting point and microstructure,showing anisotropy.