Study of direct relationship between atomic structures and glass forming abilities of Cu100-x Zrx (0≤x≤10) liquids by molecular dynamics simulations

2012 ◽  
Vol 111 (5) ◽  
pp. 053520 ◽  
Author(s):  
Y. Zhang ◽  
N. Mattern ◽  
J. Eckert
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Direct Relationship ◽  
Atomic Structures ◽  
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.

Glass-forming region of the Ni–Nb–Ta ternary metal system determined directly from n-body potential through molecular dynamics simulations

2009 ◽  
Vol 24 (5) ◽  
pp. 1815-1819 ◽  
Author(s):  
Y. Dai ◽  
J.H. Li ◽  
X.L. Che ◽  
B.X. Liu
Keyword(s):  
Molecular Dynamics ◽  
Solid Solution ◽  
Molecular Dynamics Simulations ◽  
Crystalline Solid ◽  
Metal System ◽  
Glass Forming ◽  
Solution Models ◽  
Ternary Metal ◽  
Dynamics Simulations ◽  
Body Potential

An n-body Ni–Nb–Ta potential is constructed to conduct molecular dynamics simulations using 129 solid solution models with various compositions. Comparing the relative stability of solid solutions versus their disordered counterparts, simulations determine two critical solid-solubility lines, which define a region in the composition triangle. If an alloy is located inside the defined region, a disordered state is energetically favored; if it is located outside, a crystalline solid solution is preserved. The region is therefore named as the metallic glass-forming region.

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