Melting Properties and Structural Evolution of (Agx-Pd1x)256 Bimetallic Nanoclusters Supported on SWCNT: A Molecular Dynamics Simulation

2017 ◽  
Vol 230 ◽  
pp. 305-314 ◽  
Author(s):  
Hamzeh Yaghoubi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Evolution ◽  
Dynamics Simulation ◽  
Bimetallic Nanoclusters ◽  
Melting Properties

Investigation of thermal, structural and dynamical properties of (Aux–Cuy–Niy)N=32,108,256 ternary nanosystems: effect of Au addition to Cu–Ni bimetallic nanoclusters via MD simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (72) ◽  
pp. 67619-67629 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Mohsen Abbaspour ◽  
Esmat Mehrjouei
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Heating And Cooling ◽  
Bimetallic Nanoclusters ◽  
Dynamical Properties ◽  
Metallic Nanoclusters

In this work, we have investigated the heating and cooling processes for ternary metallic nanoclusters with different Au mole fractions using molecular dynamics simulation.

A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt–Cu bimetallic nanoclusters

2016 ◽  
Vol 18 (31) ◽  
pp. 21730-21736 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
Zeinab Attaran
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
Thermodynamic Properties ◽  
Dynamics Simulation ◽  
Single Walled Carbon ◽  
Bimetallic Nanoclusters ◽  
Silicon Carbide Nanotubes

In this work confinement of the Pt708Cu707 bimetallic nanocluster in single-walled carbon, boron nitride, and silicon carbide nanotubes was investigated using molecular dynamics simulation.

scholarly journals Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation

2016 ◽  
Vol 7 ◽  
pp. 228-235 ◽  
Author(s):  
Amlan Dutta ◽  
Arup Kumar Raychaudhuri ◽  
Tanusri Saha-Dasgupta
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Time Scales ◽  
Hollow Structure ◽  
Structural Evolution ◽  
Dynamics Simulation ◽  
Copper Nanowires ◽  
Slow Recovery ◽  
Thermal Stability Of ◽  
Hollow Copper

We study the thermal stability of hollow copper nanowires using molecular dynamics simulation. We find that the plasticity-mediated structural evolution leads to transformation of the initial hollow structure to a solid wire. The process involves three distinct stages, namely, collapse, recrystallization and slow recovery. We calculate the time scales associated with different stages of the evolution process. Our findings suggest a plasticity-mediated mechanism of collapse and recrystallization. This contradicts the prevailing notion of diffusion driven transport of vacancies from the interior to outer surface being responsible for collapse, which would involve much longer time scales as compared to the plasticity-based mechanism.

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