A new approach to construct bulk and size-dependent continuous binary solution phase diagrams of alloys

RSC Advances ◽  
2015 ◽  
Vol 5 (117) ◽  
pp. 96323-96327 ◽  
Author(s):  
N. Zhao ◽  
Y. Q. He ◽  
C. C. Yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Phase Diagrams ◽  
Binary Solution ◽  
Solution Phase ◽  
Dynamics Simulation ◽  
New Approach ◽  
Size Dependent

In this work, we report a new approach to construct both bulk and size-dependent continuous binary solution phase diagrams (e.g. the Au–Ag system) by combining ab initio molecular dynamics simulation and nanothermodynamics modeling.

Size-dependent cuboctahedron-icosahedron transformations of Co-based bimetallic by molecular dynamics simulation

2018 ◽  
Vol 232 ◽  
pp. 8-10 ◽  
Author(s):  
Yang Gao ◽  
Guojian Li ◽  
Yongjun Piao ◽  
Shiying Liu ◽  
Shan Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Size Dependent
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