Size dependent melting properties of Bi 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 (MD) simulation has been used to investigate the size dependent melting properties of different shaped Bismuth nanoparticles. MD calculations for spherical and prism shaped nanoparticles are carried out using the interatomic interactions modelled by the Modified Analytic Embedded Atom Method (MAEAM) type many body potentials. The structural properties such as radial distribution functions and self diffusion coefficients of nanoparticles have computed at different temperatures. Size dependent melting temperature of different shaped nanoparticles with free surface has obtained from the thermodynamic model developed by Nanda. MD predictions and present theoretical results have been analyzed and compared with experimental data. Both particle size dependent melting temperature and shape effect have been determined. It has been shown that the melting temperature of prism shaped Bi nanoparticles depend on non-linearly on the particle size. In the present work, two different regimes are clearly noticed for different shape Bi nanoparticles.
Açıklama
Anahtar Kelimeler
Bi Nanoparticles, Melting Temperature, Thermodynamic Model, Cohesive Energy, Thermodynamic Model, Coordination-Number, Temperature, Nanocrystals, Diffusion, Behavior
Kaynak
Journal Of Optoelectronics And Advanced Materials
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
11
Sayı
12
