The neck growth mechanisms in low energy laser sintering of gold nanoparticles: a molecular dynamics simulation study

2007 ◽  
Author(s):  
Heng Pan ◽  
Seung Hwan Ko ◽  
Costas P. Grigoropoulos
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Laser Sintering ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Growth Mechanisms ◽  
Energy Laser ◽  
Low Energy Laser

The Solid-State Neck Growth Mechanisms in Low Energy Laser Sintering of Gold Nanoparticles: A Molecular Dynamics Simulation Study

2008 ◽  
Vol 130 (9) ◽  
Author(s):  
Heng Pan ◽  
Seung H. Ko ◽  
Costas P. Grigoropoulos
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Solid State ◽  
Laser Heating ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Continuous Heating ◽  
Neck Growth ◽  
Energy Laser ◽  
Low Energy Laser

Molecular dynamics (MD) simulations were employed to investigate the mechanism and kinetics of the solid-state sintering of two crystalline gold nanoparticles (4.4–10.0nm) induced by low energy laser heating. At low temperature (300K), sintering can occur between two bare nanoparticles by elastic and plastic deformation driven by strong local potential gradients. This initial neck growth occurs very fast (<150ps), and is therefore essentially insensitive to laser irradiation. This paper focuses on the subsequent longer time scale intermediate neck growth process induced by laser heating. The classical diffusion based neck growth model is modified to predict the time resolved neck growth during continuous heating with the diffusion coefficients and surface tension extracted from MD simulation. The diffusion model underestimates the neck growth rate for smaller particles (5.4nm) while satisfactory agreement is obtained for larger particles (10nm). The deviation is due to the ultrafine size effect for particles below 10nm. Various possible mechanisms were identified and discussed.

Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

2018 ◽  
Vol 20 (40) ◽  
pp. 25883-25891 ◽  
Author(s):  
Dwadasi Balarama Sridhar ◽  
Rakesh Gupta ◽  
Beena Rai
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Surface Coverage ◽  
Dynamics Simulation ◽  
Effect Of Surface

The PMF between two nanoparticles (of any chemistry and coverage) can be used as a measure to predict their stability.

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