Molecular dynamics simulation of Ni cluster deposition on Cu(001) surfaces

Jiménez-Sáez, J.C.; Pérez-Martı́n, A.M.C.; Said-Ettaoussi, M.; Jiménez-Rodrı́guez, J.J.

doi:10.1016/j.nimb.2004.10.024

Cited by 7 publications

(6 citation statements)

References 11 publications

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“…Table 1 shows the number of Ni and Cu atoms in the cluster and substrate interface layers (for substrate counting only those under the cluster). These results and previous ones [11] show that mixing depends strongly on the initial structure of the interface. In AA systems, the substrate interface layer is occupied mainly by Ni atoms when the bombardment energy is 0.5 eV/atom or higher.…”

Section: Figure 1 Displays Four Snapshots Illustrative Of the Dynamic...supporting

confidence: 87%

“…The morphologies of the clusters supported on the substrate, especially lattice defects, have been analysed. Previous results show that for the thickness of the deposited clusters misfit dislocations relax the strain at the interface [11]. These defects also affect the adjustment between the lattice parameters of the Ni cluster and the Cu substrate.…”

Section: Introductionmentioning

confidence: 93%

“…Defects at the interface as a result of the adaptation process help to relieve the stress of lattice mismatch. These defects begin to be observed in clusters with six monolayers (∼10 Å of thickness) [11]. Chambers and Jackson [26] observed by transmission electron microscopy that the strain relaxation takes place by dislocations in Cu/Ni(001) systems at coverages above 8 Å.…”

Section: Figure 1 Displays Four Snapshots Illustrative Of the Dynamic...mentioning

confidence: 99%

“…Moreover, formation of adlayers seems to be independent of the initial structure of the interface. Only when the initial number of cluster layers is less than five must this effect be borne in mind [11].…”

Section: Figure 1 Displays Four Snapshots Illustrative Of the Dynamic...mentioning

confidence: 99%

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Atomic structure of Ni nanoclusters on Cu(001) surfaces

Jiménez-Sáez¹,

Pérez-Martı́n²,

Said-Ettaoussi³

et al. 2005

Nanotechnology

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Depositions of different Ni cluster nanostructures on a Cu (001) surface have been simulated by molecular dynamics. Ni clusters (a few monolayers) with different structure have been softly deposited on a Cu (001) surface. The system was afterwards driven to the minimum energy state. The bombardment energy was varied between 0 and 1 eV/atom. The difference in the Ni and Cu lattice parameters (2.6%) gives rise to strain near the interface, which is the cause of magnetoelastic anisotropy. We have focused our interest especially on matching effects. Final atomic structures of the clusters and present lattice defects have been analysed. Mean changes in the lattice parameters have been quantified near the interface. A study of atomic mixing at the interface and of its influence in the matching is also accomplished.

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Section: Figure 1 Displays Four Snapshots Illustrative Of the Dynamic...supporting

confidence: 87%

Section: Introductionmentioning

confidence: 93%

Section: Figure 1 Displays Four Snapshots Illustrative Of the Dynamic...mentioning

confidence: 99%

Section: Figure 1 Displays Four Snapshots Illustrative Of the Dynamic...mentioning

confidence: 99%

See 2 more Smart Citations

Atomic structure of Ni nanoclusters on Cu(001) surfaces

Jiménez-Sáez¹,

Pérez-Martı́n²,

Said-Ettaoussi³

et al. 2005

Nanotechnology

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“…In the literature, there are results focusing on the structure of the thin films obtained by molecular dynamics and Monte Carlo simulations [10,11]. The results of the simulation of Ni films deposited on Cu (001) [10] showed that films exhibit a pseudomorphic growth. Moreover, it was also observed that a lot of parameters can affect the properties of the films.…”

Section: Introductionmentioning

confidence: 99%

The effect of size on structure and stress in grained films

Chocyk

Zientarski

2020

Materials Science and Technology

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Molecular dynamics simulations are carried out to study the evolution of stress during deposition of atoms on the (001) plane of an FCC crystal, using rectangular simulation box with x– y periodic boundary conditions. The system consists of grains and boundaries. In the current study, we consider different values of the grain-to-grain distances and different relative sizes of deposited atoms. The structure was determined by the kinematical scattering theory. The main factors influencing the stress in thin film systems are creating of dislocation and changing the crystalline structure in grains. The deposited atoms can significantly contribute to the total stress. Depending on their size, atoms contribute compressive or tensile stresses to the total stress. This paper is part of a Thematic Issue on The Crystallographic Aspects of Metallic Alloys.

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