Atomistic structure of calcium silicate intergranular films in alumina studied by molecular dynamics simulations

摘要

Molecular dynamics simulations of calcium silicate (CaSiO_3) intergranular films that were formed during the liquid-phase sintering of alumina (Al_2O_3) ceramics were conducted. A constant-pressure algorithm was used in the simulations to accommodate changes in the sample size during heat treatment and tensile tests.