Investigation of Possible Formation of Au@M (M = Cu, Ir, Pt, and Rh) Core–Shell Nanoclusters in a Condensation–Coalescence Process Using Molecular Dynamics Simulations

2018 ◽  
Vol 57 (43) ◽  
pp. 14837-14845 ◽  
Author(s):  
Mohsen Abbaspour ◽  
Hamed Akbarzadeh ◽  
Sirous Salemi ◽  
Samira Lotfi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Core Shell ◽  
Coalescence Process ◽  
Dynamics Simulations

Molecular dynamics simulations of the alloying process of Cu/Au nanoparticles with different sizes

2020 ◽  
pp. 2150005
Author(s):  
Shouqi Cao ◽  
Haochen Zuo ◽  
He Xin ◽  
Lixin Zhou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Melting Temperature ◽  
Industrial Production ◽  
Au Nanoparticles ◽  
Coalescence Process ◽  
Three Stages ◽  
Dynamics Simulations ◽  
Outer Area ◽  
Sintering Neck

The coalescence of particles extensively exists in the industrial production and nature, which is of great research significance. This paper examined the alloying process of Cu/Au nanoparticles with different sizes by molecular dynamics (MDs) simulations. The coalescence process presents three stages which can be divided by the contact and fusion. The alloying processes of Cu/Au nanoparticles with different sizes had contacted with each other before the heating at 300 K. The Au atoms diffused through the outer area of the sintering neck before the nanoparticles were fused into one particle. The coalescence had become severe after the systems reached the melting temperature. The different systems showed different sintering rate.

Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations

2016 ◽  
Vol 25 (3) ◽  
pp. 036102 ◽  
Author(s):  
Jin-Ping Zhang ◽  
Yang-Yang Zhang ◽  
Er-Ping Wang ◽  
Cui-Ming Tang ◽  
Xin-Lu Cheng ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Core Shell ◽  
Shell Nanoparticles ◽  
Dynamics Simulations ◽  
Core Shell Nanoparticles
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