A generalized polytetrahedral cluster approach to partial coordination numbers in binary metallic glasses

Aykol M., Mehrabov Ə., AKDENİZ M. V.

Philosophical Magazine, vol.91, no.22, pp.2985-3005, 2011 (SCI-Expanded, Scopus) identifier

  • Nəşrin Növü: Article / Article
  • Cild: 91 Say: 22
  • Nəşr tarixi: 2011
  • Doi nömrəsi: 10.1080/14786435.2011.558031
  • jurnalın adı: Philosophical Magazine
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Səhifə sayı: pp.2985-3005
  • Açar sözlər: atomic structure, coordination number, metallic glass, theoretical model
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Yox

Qısa məlumat

Partial coordination numbers (CNs) play a substantial role in description of hetero-coordinated local structure and related short-range order in metallic glasses. By defining a polytetrahedral aggregation for solute-solvent type atomic clusters, which retains cluster sphericity, high solute-solvent and solvent-solvent CNs, a preliminary model is developed to estimate the CN of a solute atom within a non-isolated cluster embedded in the glassy environment. Employing the result, a generalized quasi-hard sphere model is constructed by defining intra- and inter-cluster correlations, which can yield significantly close values to experimentally derived partial CNs in a great many metallic glass systems, such as Fe-B, Ni-B, Ni-P, Co-P, Pd-Si, Al-Y, Co-Zr, Co-Ti, Ni-Ti, Zr-Ni, Zr-Pd, Zr-Pt and Cu-Zr. The approach allows evaluation of a complete set of partial CNs in a given binary system as a function of atomic radii and composition. © 2011 Taylor & Francis.