Hot Article: Molecular dynamics simulations of La2O3-doped silicate intergranular films in Si3N4

Intergranular films (IGFs) are amorphous nanometer-scale thin films that are observed at many grain boundaries in polycrystalline ceramics. IGFs make up only a small volume percent of the bulk ceramic, but their unique local chemistry can strongly influence the macroscopic properties of the material. 

Graphical abstract: Molecular dynamics simulations of La2O3-doped silicate intergranular films in Si3N4

Results of the simulations performed in this study by Stephen H. Garofalini and Yun Jiang show segregation of La ions (arrows) from intergranular film to the prismatic Si3N4 surface; equivalent to HAADF-STEM results.  The simulations and also show the effect of composition on varying segregation and growth.

Interested to know more?  Read the full article:

Yun Jiang and Stephen H. Garofalini, J. Mater. Chem., 2010, DOI: 10.1039/C0JM01555E

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