Melting properties of tin nanoparticles by molecular dynamics simulation
Küçük Resim Yok
Tarih
2009
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Natl Inst Optoelectronics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
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.
Açıklama
Anahtar Kelimeler
Tin Nanoparticles, MD Simulation, Melting Temperature, Embedded-Atom Method, Cohesive Energy, Temperature, Cluster, Alloys, Point, Maeam
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
11
Sayı
12
