Computer simulations for the design of microstructural developments in ceramics

This paper is to study the computer simulation of microstructural developments in ceramics mainly by Monte Carlo (MC) model and partly by molecular dynamics (MD). Plural mechanisms of mass transfer were introduced in the MC simulation of sintering and grain growth in ceramics at micron-size particle. The MC simulations were performed at the array of two-dimensional triangular lattices and were developed to sintering and grain growth in the complex systems involving a liquid phase and the second solid phase. The MD simulation was applied to the sintering of nano-size particles of ionic ceramics and showed the characteristic features in sintering process at atomic levels. The MC and MD simulations for sintering process are useful for microstructural design for ceramics.