Volume 33, Number 6, February III 1996
|Page(s)||441 - 446|
|Section||Condensed matter: structure, thermal and mechanical properties|
|Published online||01 September 2002|
Early stages of sintering of silicon nitride nanoclusters: a molecular-dynamics study on parallel machines
Concurrent Computing Laboratory for Materials Simulations,
Physics & Astronomy and
Department of Computer Science, Louisiana State
University - Baton Rouge, LA 70803-4001
Accepted: 11 January 1996
Sintering of nanoclusters is investigated with the molecular-dynamics approach. At 2000 K thermally rough nanocrystals develop an asymmetric neck in 100 picoseconds. The neck contains more fourfold than threefold coordinated Si atoms. Amorphous nanoclusters develop a symmetric neck which has nearly equal number of threefold and fourfold coordinated Si atoms. In both cases, sintering is driven by surface diffusion of Si and N atoms. The diffusion is much more rapid in the neck joining amorphous nanoclusters than in the neck region of nanocrystals.
PACS: 61.43.Fs – Glasses / 61.46.+w – Solid clusters (including fullerenes) and nanoparticles / 81.90.+c – Other topics in materials science
© EDP Sciences, 1996
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