Molecular dynamics study of surface erosion and defect generation in copper under cluster bombardment: influence of projectile mass and energy

2005 ◽  
Author(s):  
Anton S. Kolesnikov ◽  
Evgeni E. Zhurkin
Keyword(s):  
Molecular Dynamics ◽  
Surface Erosion ◽  
Defect Generation ◽  
Cluster Bombardment

Surface Erosion of TiO2 subjected to Energetic Oxygen Bombardment

2011 ◽  
Vol 1298 ◽  
Author(s):  
Roger Smith ◽  
Wolfhard Möller
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Atomic Clusters ◽  
Random Selection ◽  
Surface Erosion ◽  
Variable Charge ◽  
Charge Potential ◽  
Dynamics Simulations ◽  
Selection Of ◽  
Oxygen Atoms

ABSTRACTThe effect of energetic oxygen bombardment of the TiO2 rutile {110} surface is studied by means of molecular dynamics simulations using a variable charge potential. A random selection of O atoms and O2 molecules are incident successively and normally onto the surface. At an energy of 5 eV the surface becomes saturated with oxygen until covered with between 1 and 2 monolayers of adatoms. As the fluence further increases Ti atoms are pulled out from the bulk and become surrounded by the O atoms forming well-defined atomic clusters on the surface which then desorb. At bombardment energies of 400 eV, the O atoms penetrate into the bulk and voids form whose surfaces are decorated with oxygen atoms. As the O fluence further increases the surface is sputtered and the voids then intersect the surface forming a very rough topography.

Strategies for modeling diverse chemical reactions in molecular dynamics simulations of cluster bombardment

2010 ◽  
Vol 43 (1-2) ◽  
pp. 126-128 ◽  
Author(s):  
Paul E. Kennedy ◽  
Barbara J. Garrison ◽  
Michael F. Russo ◽  
Adri C. T. van Duin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Chemical Reactions ◽  
Cluster Bombardment ◽  
Dynamics Simulations

Energy Deposition Control during Cluster Bombardment: A Molecular Dynamics View

2008 ◽  
Vol 80 (14) ◽  
pp. 5302-5306 ◽  
Author(s):  
Kathleen E. Ryan ◽  
Barbara J. Garrison
Keyword(s):  
Molecular Dynamics ◽  
Energy Deposition ◽  
Cluster Bombardment ◽  
Deposition Control

Molecular Dynamics Simulation of the Effects of Energetic Cluster Ion Impact on Solid Surface

1993 ◽  
Vol 316 ◽  
Author(s):  
Z. Insepov ◽  
M. Sosnowski ◽  
G. H. Takaoka ◽  
I. Yamada
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gold Surface ◽  
High Energy ◽  
Dynamics Simulation ◽  
High Energy Density ◽  
Cluster Bombardment ◽  
Very High Energy ◽  
Ion Impact

ABSTRACTBeams of energetic clusters may provide a unique tool for surface modification. Experimental data on the effects of cluster bombardment are still scarce but Molecular Dynamics Simulation may help guide the research in most promising directions. We modeled Ar cluster impact on gold surface and compared the calculated sputtering yield with the available experimental data at 30 keV. The results confirm the uniqueness of cluster impacts characterized by deposition of very high energy density at the surface.

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