scholarly journals Molecular dynamics simulation of gold cluster growth during sputter deposition

2016 ◽  
Vol 119 (18) ◽  
pp. 185301 ◽  
Author(s):  
J. W. Abraham ◽  
T. Strunskus ◽  
F. Faupel ◽  
M. Bonitz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gold Cluster ◽  
Sputter Deposition ◽  
Dynamics Simulation ◽  
Cluster Growth

Molecular dynamics simulation of gold cluster collisions

1993 ◽  
Vol 26 (S1) ◽  
pp. 165-167 ◽  
Author(s):  
C. -C. Chen ◽  
D. Y. Paithankar ◽  
J. Talbot ◽  
R. P. Andres
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gold Cluster ◽  
Dynamics Simulation

Theoretical Study of Alkanedithiolated Gold Clusters

2012 ◽  
Vol 1371 ◽  
Author(s):  
J. M. Cabrera-Trujillo ◽  
R. Jiménez-Cataño
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Room Temperature ◽  
Theoretical Study ◽  
Gold Cluster ◽  
Gold Clusters ◽  
Dynamics Simulation ◽  
Temperature Structure ◽  
Reactive Molecular Dynamics

ABSTRACTA reactive molecular dynamics simulation study on the structure, energetics, and chemistry of alkanethiolated gold cluster is presented. Through very recent reactive molecular dynamics force-fields developed by Järvi et al. [1], chemical reactions of alkanedithiolates and star-like shape gold nanoparticles are studied throughout octanedithiolates and stellated cuboctahedral gold clusters models [2] at room temperature. Structure, energetics, reactants, and some products of the reactions are preliminarily analyzed up to 25 ps. In general, preliminary results of this work are in agreement with those reported in the review by Love et al. [3].

Molecular Dynamics Simulation of Large Cluster Growth

1993 ◽  
Vol 334 ◽  
Author(s):  
Michael R. Zachariah ◽  
Michael J. Carrier ◽  
Estela Blaisten-Barojas
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Size Range ◽  
Dynamics Simulation ◽  
Silicon Cluster ◽  
Cluster Growth ◽  
Cluster Morphology ◽  
Kinetic Rates ◽  
Large Heat ◽  
The Impact

AbstractClassical Molecular dynamics simulation of silicon cluster growth (up to 1000 atoms) have been conducted using the Stillinger-Weber 3-body interaction potential. The cluster binding energy has been fit to an expression that separates the surface and bulk contribution to the energy over a wide temperature and size range. Cluster growth simulations show that large heat release results from new bond formation at gas kinetic rates (i.e. sticking coefficient = unity). Temperature was found to be the primary controlling process parameter in the evolution of cluster morphology from an aggregate to a coalesced cluster below 1000 K, with the impact parameter playing a secondary role.

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