Melting properties of tin nanoparticles by molecular dynamics simulation

DALGIÇ S., DÖMEKELİ Ü.

Journal of Optoelectronics and Advanced Materials, cilt.11, sa.12, ss.2126-2132, 2009 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 11 Sayı: 12
  • Basım Tarihi: 2009
  • Dergi Adı: Journal of Optoelectronics and Advanced Materials
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2126-2132
  • Anahtar Kelimeler: MD simulation, Melting temperature, Tin nanoparticles
  • Trakya Üniversitesi Adresli: Evet

Özet

Molecular dynamics calculations have been performed to study the melting properties of tin (Sn) nanoparticles with different number of atoms. The modified analytic embedded atom method (MAEAM) interatomic potentials are used to describe the interaction between Sn atoms. The temperature dependent of atomic diffusion in nanoparticles and the heat of fusion as a function of reciprocal of nanoparticle diameter have obtained. The structural properties such as radial distribution functions and static structure factors have computed at different temperatures. Both particle size dependent melting temperature and latent heat of fusion have been determined. It has been shown that the melting point of tin nanoparticles depends nonlinearly on the particle radius. Dynamical properties of tin nanoparticles such as the diffusion coefficient (D), mean square displacement (MSD) and velocity autocorrelation function (VACF) have also calculated.