Molecular-Dynamics Simulations of Laser-Ablation and Ionassisted Thin Film Deposition

1992 ◽  
Vol 285 ◽  
Author(s):  
H. Feil ◽  
J.S.C. Kools ◽  
J. Dieleman
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Laser Ablation ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Deposition ◽  
Film Deposition ◽  
Laser Fluences ◽  
Cu Thin Film ◽  
Dynamics Simulations

ABSTRACTMolecular dynamics simulations are performed of Cu thin film growth on Cu (111). Ion-Assisted Deposition is simulated by bombarding the substrate with Cu+ ions with a kinetic energy of 80 eV, while 1 eV Cu atoms are used for the simulation of Laser Ablation Deposition. It appears that Ion-Assisted Deposition leads to sputtering, enhanced surface mobility, surface disorder, mixing and rather deep damage. This is discussed in some detail. Laser Ablation Deposition, using laser fluences just above the ablation threshold, does not lead to damage and mixing. Sharper interfaces and more perfect heterostructures and superlattices can be produced using Laser Ablation Deposition.

Molecular-Dynamics Simulations of Low-Energy Ion/Surface Interactions During Ion-Beam-Assisted Thin Film Deposition.

1993 ◽  
Vol 317 ◽  
Author(s):  
H. Feil
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Beam ◽  
Thin Film Deposition ◽  
Film Deposition ◽  
Low Energy ◽  
Angle Of Incidence ◽  
Two Dimensional ◽  
Dynamics Simulations

ABSTRACTMolecular dynamics simulations are performed of low-energy ion irradiation of two-dimensional Cu islands on a Cu(111) surface. The irradiation of the surface with low-energy particles influences the mobility of the atoms in the surface region and therefore may alter the thin film growth Mode. The effect of 100 eV Ar+ ions incident at grazing angles is limited to situations in which the ions hit the edges of the islands. In Most cases the islands lose one or two atoms. Changing the angle-of-incidence or changing the type of the incident particle has a strong influence on the size distribution of the two-dimensional islands.

Dislocation Nucleation and Propagation During Deposition of Cubic Metal Thin Films

2001 ◽  
Vol 677 ◽  
Author(s):  
W. C. Liu ◽  
Y. X. Wang ◽  
C. H. Woo ◽  
Hanchen Huang
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Three Dimensional ◽  
Thin Film Deposition ◽  
Dislocation Nucleation ◽  
Film Deposition ◽  
Film Material ◽  
Metal Thin Films ◽  
Dynamics Simulations

ABSTRACTIn this paper we present three-dimensional molecular dynamics simulations of dislocation nucleation and propagation during thin film deposition. Aiming to identify mechanisms of dislocation nucleation in polycrystalline thin films, we choose the film material to be the same as the substrate – which is stressed. Tungsten and aluminum are taken as representatives of BCC and FCC metals, respectively, in the molecular dynamics simulations. Our studies show that both glissile and sessile dislocations are nucleated during the deposition, and surface steps are preferential nucleation sites of dislocations. Further, the results indicate that dislocations nucleated on slip systems with large Schmid factors more likely survive and propagate into the film. When a glissile dislocation is nucleated, it propagates much faster horizontally than vertically into the film. The mechanisms and criteria of dislocation nucleation are essential to the implementation of the atomistic simulator ADEPT.

Molecular Dynamics Study of Cu Thin Film Deposition onβ-Ta

2002 ◽  
Vol 721 ◽  
Author(s):  
Peter Klaver ◽  
Barend J. Thijsse
Keyword(s):  
Molecular Dynamics ◽  
Thin Film Deposition ◽  
Film Deposition ◽  
Boundary Structure ◽  
Cu Films ◽  
Grain Boundary Structure ◽  
Cu Film ◽  
Cu Thin Film ◽  
Dynamics Simulations ◽  
Atomically Flat

AbstractMolecular Dynamics simulations were performed to study Cu film deposition on β-Ta. Three different β-Ta surfaces were used, two being atomically flat, and one resulting from Ta on Ta growth. We find that the Cu films develop a (111) texture with vertical grain boundaries between grains having different epitaxial relations with the β-Ta substrate. The epitaxial rotation angles were determined, as 5.2° and 10-13°, and the resulting strain reductions in the Cu films were identified. The effects of the substrate differences on the interfacial Ta/Cu intermixing and the epitaxy and grain boundary structure of the films are discussed.

Effect of polyatomic ion structure on thin-film growth: Experiments and molecular dynamics simulations

2000 ◽  
Vol 88 (9) ◽  
pp. 5004-5016 ◽  
Author(s):  
Muthu B. J. Wijesundara ◽  
Yuan Ji ◽  
Boris Ni ◽  
Susan B. Sinnott ◽  
Luke Hanley
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Growth ◽  
Ion Structure ◽  
Dynamics Simulations ◽  
Growth Experiments

Thin film growth by energetic cluster impact (ECI): comparison between experiment and molecular dynamics simulations

1993 ◽  
Vol 19 (1-2) ◽  
pp. 31-36 ◽  
Author(s):  
Hellmut Haberland ◽  
Zinetulla Insepov ◽  
Martin Karrais ◽  
Martin Mall ◽  
Michael Moseler ◽  
...  
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Growth ◽  
Dynamics Simulations
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