Concentration dependence of microstructural evolution of Zr-Pt liquid alloys: A molecular dynamics study
Küçük Resim Yok
Tarih
2023
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The concentration dependence of the atomic structure and glass formation process of Zr100-xPtx (10 < x < 60) alloys were investigated by molecular dynamics simulations in this study. The agreement between the structural functions and the experimental data showed that the local order is reliably predicted. It was observed that the Zr40Pt60 alloy has the highest glass transition temperature and the fraction of crystal-like clusters. Common neighbor analysis revealed that the icosahedra and icosahedra-like clusters are more frequent for x < 50 concentrations, while bcc-like clusters are effective for x & GE; 50. It was seen that the local environment around Pt atoms would be more flexible, while Zr atoms would more easily adopt a preferential local packing according to their preferences. Present findings suggest that the strong chemical affinity between Zr and Pt plays an influential role in the nucleation of local structure in the system, and the addition of Pt weakens the icosahedra short-range order.
Açıklama
Anahtar Kelimeler
Zr-Pt Metallic Glass, Glass Transition Temperature, Molecular Dynamics Simulations, Coordination Analysis, Bond Angle Distributions, Common Neighbor Analysis, Quasi-Crystalline Phase, Glass-Forming Ability, Structural Evolution, Atomic Concentration, Icosahedral Order, Cooling Rate, Pd, Solidification, Simulations, Transition
Kaynak
Chemical Physics
WoS Q Değeri
N/A
Scopus Q Değeri
Q2
Cilt
575
