Molecular dynamics study of structure and glass forming ability of Zr70Pd30 alloy


ÇELTEK M., ŞENGÜL S., DÖMEKELİ Ü., CANAN C.

European Physical Journal B, cilt.89, sa.3, 2016 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 89 Sayı: 3
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1140/epjb/e2016-60694-5
  • Dergi Adı: European Physical Journal B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Anahtar Kelimeler: Solid State and Materials
  • Trakya Üniversitesi Adresli: Evet

Özet

In this study, the temperature effects on the structural evolution of theZr70Pd30 binary alloy in the glassy and liquid states werestudied using the molecular dynamics simulations based on the many-body type tight-bindingpotential. We considered the following properties in detail: the temperature dependence ofthe volume, the partial and total pair distribution functions and the simulated glasstransition temperature. The effects of the cooling rates on the glass transitiontemperature were examined. The Wendt-Abraham parameter was calculated to determine theglass transition temperature of Zr70Pd30 glassy alloy. The pair analysis technique ofHoneycutt-Andersen was applied to define local atomic arrangements produced from moleculardynamics simulations. The results show that the icosahedral ordering in glassy state hasbeen composed during quenching period, and the simulated glass transition temperature andthe total pair distribution functions are in good agreement with the experimental data.