scholarly journals First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties

2013 ◽  
Vol 88 (17) ◽  
Author(s):  
M. Celino ◽  
S. Le Roux ◽  
G. Ori ◽  
B. Coasne ◽  
A. Bouzid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Atomic Structure ◽  
First Principles ◽  
Bonding Properties ◽  
Structure And Bonding ◽  
First Principles Molecular Dynamics

scholarly journals Atomic structure of biodegradable Mg-based bulk metallic glass

2015 ◽  
Vol 17 (19) ◽  
pp. 12894-12898 ◽  
Author(s):  
J. K. Christie
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Bulk Metallic Glass ◽  
Atomic Structure ◽  
First Principles ◽  
Dynamics Simulations ◽  
First Principles Molecular Dynamics

Very accurate first-principles molecular dynamics simulations of two Mg–Zn–Ca glasses, which are candidate materials for implants, have been performed. Their structure does not strongly depend on composition, and other directions for optimisation of these glasses are discussed.

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