Abstract
We present a local microstructure study of liquid and amorphous alumina by means of a molecular dynamic method. The simulation was performed on systems prepared at five different densities and at temperatures from 400 to 800K for amorphous glass and at 3000K for liquid. The local microstructure has been analyzed through the pair radial distribution function, bond-angle distribution and the characteristics of voids and void aggregations. We focused on two kinds of void aggregations: void clusters and void tubes. The results showed that many voids clustered nearby and created a very large cavity with volume five times bigger than volume of the aluminum atom. In addition, we found a void tube in low-density systems, which consisted of 75% of all voids and spread over the entire system. The diffusion mechanism in low-density and high-density systems has also been discussed and presented here.
Published Version
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