Early stages of sintering of Si3N4 nanoclusters via parallel molecular dynamics

Kenji Tsuruta, Andrey Omeltchenko, Rajiv K. Kalia, Priya Vashishta

Research output: Contribution to journalConference articlepeer-review


We investigate early stages of sintering of silicon nitride (Si3N4) nanoclusters by molecular-dynamics (MD) simulations on parallel computers. Within 100 pico seconds, an asymmetric neck is formed between nanocrystals at 2,000K. In the neck region, there are more four-fold than three-fold coordinated Si atoms. In contrast, amorphous nanoclusters develop a symmetric neck, which has nearly the same number of three-fold and four-fold coordinated Si atoms. In the case of sintering among three nanoclusters, a chain-like structure forms in 200 pico seconds. The present study shows that sintering is driven by rapid diffusion of surface atoms and cluster rearrangement.

Original languageEnglish
Pages (from-to)181-186
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
Publication statusPublished - Dec 1 1996
Externally publishedYes
EventProceedings of the 1996 MRS Fall Symposium - Boston, MA, USA
Duration: Nov 27 1995Dec 1 1995

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


Dive into the research topics of 'Early stages of sintering of Si3N4 nanoclusters via parallel molecular dynamics'. Together they form a unique fingerprint.

Cite this