Dynamics of a single atom in ternary metallic glass-forming Cu60TixZr40−xmelts by molecular-dynamics simulations

2011 ◽  
Vol 83 (2) ◽  
Author(s):  
Hiroyuki Fujii ◽  
Michio Tokuyama
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Single Atom ◽  
Glass Forming ◽  
Dynamics Simulations

Revisiting the Stokes–Einstein relation for glass-forming melts

2020 ◽  
Vol 22 (4) ◽  
pp. 2557-2565 ◽  
Author(s):  
Qi-Long Cao ◽  
Pan-Pan Wang ◽  
Duo-Hui Huang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Einstein Relation ◽  
Glass Forming ◽  
Dynamics Simulations

Molecular dynamics simulations of Ni36Zr64, Cu65Zr35 and Ni80Al20 were carried out over a broad range of temperature (900–3000 K) to investigate the Stokes–Einstein (SE) relation for glass-forming melts.

Experimental Studies and Molecular Dynamics Simulations of the Sliding Contact of Metallic Glass

2000 ◽  
Vol 644 ◽  
Author(s):  
Xi-Yong Fu ◽  
Michael L. Falk ◽  
David A. Rigney
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Bulk Metallic Glass ◽  
Amorphous Material ◽  
Experimental Studies ◽  
Sliding Contact ◽  
Atomic Scale ◽  
Sliding Interface ◽  
Dynamics Simulations

AbstractTribological properties of bulk metallic glass Zr41.2Ti13.8Cu12.5Ni10.0Be22.5 were studied experimentally using a pin/disk geometry without lubrication. Experimental observations were compared with 2D molecular dynamics simulations of amorphous material in sliding contact. The friction coefficient and the wear rate of bulk metallic glass (BMG) depend on normal load and test environment. The sliding of annealed BMG re-amorphizes devitrified material. A mechanically mixed layer is generated during sliding; this layer has enhanced oxygen content if the sliding is in air. The MD simulations show that atomic scale mixing occurs across the sliding interface. The growth kinetics of the mixing process scales with the square root of time. In the simulations, a low density region is generated near the sliding interface; it corresponds spatially to the softer layer detected in experiments. Subsurface displacement profiles produced by sliding and by simulation are very similar and are consistent with the flow patterns expected from a simple Navier-Stokes analysis when the stress state involves both compression and shear.

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