Evaluation of glass-forming ability of binary metallic glasses with liquidus temperature, crystallographic data from binary phase diagrams and molecular dynamics simulations

2009 ◽  
Vol 483 (1-2) ◽  
pp. 102-106 ◽  
Author(s):  
A. Takeuchi ◽  
K. Yubuta ◽  
A. Makino ◽  
A. Inoue
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Phase Diagrams ◽  
Metallic Glasses ◽  
Liquidus Temperature ◽  
Glass Forming Ability ◽  
Glass Forming ◽  
Binary Phase Diagrams ◽  
Binary Metallic Glasses ◽  
Dynamics Simulations

Local Atomic Arrangements of Pd-Based Bulk Metallic Glasses of the Metal-Metalloid Type Demonstrated by Molecular Dynamics Simulations

2010 ◽  
Vol 654-656 ◽  
pp. 1038-1041
Author(s):  
Akira Takeuchi ◽  
Akihisa Inoue
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glasses ◽  
Md Simulations ◽  
Glass Forming Ability ◽  
Plastic Crystal ◽  
Glass Forming ◽  
Universal Feature ◽  
Crystal Model ◽  
Packed Structure ◽  
Dynamics Simulations

Molecular dynamics (MD) simulations based on a plastic crystal model (PCM) were performed for a Pd0.4Ni0.4P0.2 alloy in Metal-Metalloid (M-MLD) type of bulk metallic glass (BMG). Two kinds of clusters of cubeoctahedron capped with four half-octahedra and trigonal prism were used as initial atomic arrangements of the Pd0.4Ni0.4P0.2 alloy. Random rotations of clusters around their centers of gravity and subsequent structural relaxation vitrified the alloy. The high glass-forming ability of the Pd0.4Ni0.4P0.2 alloy is due to the critically-percolated, cluster-packed structure that is a universal feature for both M-MLD and M-M types of BMGs.

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