About this Abstract | 
  
   
    | Meeting | 
    2021 TMS Annual Meeting & Exhibition
       | 
  
   
    | Symposium 
       | 
    Frontiers in Solidification Science VIII
       | 
  
   
    | Presentation Title | 
    Structural Changes during Crystallization and Vitrification of Dilute FCC-based Binary Alloys | 
  
   
    | Author(s) | 
    Deep  Choudhuri, Bhaskar S Majumdar | 
  
   
    | On-Site Speaker (Planned) | 
    Deep  Choudhuri | 
  
   
    | Abstract Scope | 
    
Structural changes during crystallization and vitrification in dilute face-centered-cubic (FCC) alloys was investigated using model Al-Sm alloys. Molecular dynamics simulations were performed to study the solidification behavior of Al-1at.%Sm and Al-5at.%Sm at 10^10, 10^11 and 10^12 K/s cooling rates. Two structural features were identified from these simulations. In case of Al-1at.%Sm, we learn that, near the melting point, liquid phase manifested pockets of unique transitional structures comprising triangular arrangements in near-parallel layers that encapsulated a FCC-HCP coordinated core. We defined such a structure as the pre-critical nucleus, which is contained within an otherwise predominantly uncoordinated amorphous liquid phase. However, within the range of cooling rates employed, Al-5at.%Sm manifested only amorphous structure after solidification. The liquid structure in the transitional state contained temperature dependent icosahedron clusters that manifested as double-peak in the radial distribution function. Near the Tg Al-5at.%Sm achieves additional local ordering via the formation of inter-penetrating icosahedral frameworks.  | 
  
   
    | Proceedings Inclusion? | 
    Planned:  |