Molecular dynamics simulation of energetic aluminum/palladium core–shell nanoparticles

2011 ◽  
Vol 503 (1-3) ◽  
pp. 112-117 ◽  
Author(s):  
Ngoc Ha Nguyen ◽  
Anming Hu ◽  
John Persic ◽  
John Z. Wen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Core Shell ◽  
Shell Nanoparticles ◽  
Core Shell Nanoparticles

Dumbbell-like, core–shell and Janus-like configurations in Pd@Au@Pd three-shell nanoalloys: a molecular dynamics study

2017 ◽  
Vol 4 (9) ◽  
pp. 1551-1561 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Esmat Mehrjouei ◽  
Mehdi Sherafati ◽  
Amir Nasser Shamkhali
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Stable Structure ◽  
Dynamics Simulation ◽  
Core Shell ◽  
Shell Nanoparticles

Molecular dynamics simulation was used to investigate the thermal stability and the final stable structure of Pd@Au@Pd three-shell nanoparticles after the melting point.

Au@void@AgAu Yolk–Shell Nanoparticles with Dominant Strain Effects: A Molecular Dynamics Simulation

2017 ◽  
Vol 8 (20) ◽  
pp. 5064-5068 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Esmat Mehrjouei ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Shell Nanoparticles ◽  
Strain Effects

Molecular dynamics simulation of the local concentration and structure in multicomponent aerosol nanoparticles under atmospheric conditions

2017 ◽  
Vol 19 (25) ◽  
pp. 16681-16692 ◽  
Author(s):  
Katerina S. Karadima ◽  
Vlasis G. Mavrantzas ◽  
Spyros N. Pandis
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Organic Compound ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Core Shell ◽  
Local Concentration ◽  
Atmospheric Conditions ◽  
Aerosol Nanoparticles

MD simulations predicted core–shell or partially engulfed morphologies (depending on the type of the organic compound present) in multicomponent aerosol nanoparticles.

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

Mechanical properties of Ge/Si core-shell nanowires under a uniaxial tension

2006 ◽  
Vol 958 ◽  
Author(s):  
Y. Yano ◽  
T. Nakajima ◽  
K. Shintani
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Single Atom ◽  
Core Shell ◽  
The Core ◽  
Young’S Moduli ◽  
Vegard’S Law ◽  
Shell Nanowires

ABSTRACTThe mechanical properties of Si/Ge core-shell nanowires under a unixial tension are studied using molecular-dynamics simulation. The effects of anisotropy and the fraction of the core atoms on the Young's moduli of the core-shell nanowires are examined. The values of their Young's moduli deviate from those calculated using Vegard's law. Single atom chains are formed at the final stages of elongation of the nanowires.

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