Statistical investigations of the film-substrate interface during aluminum deposition on Ni(111) by molecular dynamics simulation

Hassani,; Azrak, H. El; Eddiai, F.; Dardouri, M.; Arbaoui, A.; Monkade, Mohamed; Sbiaai, K.; Tabyaoui, A.; Hasnaoui, A.

doi:10.1016/j.spmi.2018.03.008

Cited by 11 publications

(5 citation statements)

References 24 publications

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“…In addition, we note that the Uchida stacking motif does not need to distinguish between the atoms. We used the embedded atom method potential for Al-Al (Daw & Baskes, 1984), which is widely used in MD simulations for modelling metals and alloys (Hassani et al, 2019). The parameters were taken from the LAMMPS force field (Al_jnp.eam) developed by Jacobsen et al (1987).…”

Section: Simulation Methodsmentioning

confidence: 99%

Molecular dynamics investigation of a one-component model for the stacking motif in complex alloy structures

Yeh¹,

Tomita²,

Imanari³

et al. 2022

J Appl Cryst

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Developing realistic three-dimensional growth models for quasicrystals is a fundamental requirement. The present work employs classical molecular dynamics simulations to investigate the adsorption of Al on a close-packed Al layer containing atomic vacancies. Simulation results show that the adsorbed Al atoms are located preferentially above and below the atomic vacancies in the close-packed layer, and the results obtained from a one-component system of atoms interacting via an interatomic pair potential for Al–Al appropriately reproduce the stacking motif seen in complex alloys such as the μ-Al4Mn phase. The simulations also reveal the formation of a deformed icosahedron. These results provide new insights into the growth mechanism and origin of complex alloys and quasicrystals.

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Section: Simulation Methodsmentioning

confidence: 99%

Molecular dynamics investigation of a one-component model for the stacking motif in complex alloy structures

Yeh¹,

Tomita²,

Imanari³

et al. 2022

J Appl Cryst

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“…On the other hand, Chen constructed a much larger model and focused on the effects of film thickness, deposition temperature, deposition interval, and reflow temperature on the surface roughness of Cu films . Hassani et al and Wu et al applied MD simulations to study the deposition behaviors of Al and Ni on Ni(001), Ni(110), and Ni(111) substrates. − The atom jumping behaviors on the substrate surface and the island coalescence progress are well described. More and more studies used MD simulation to obtain the simultaneous information during the deposition process. , …”

Section: Introductionmentioning

confidence: 99%

Transformation and Control of Crystal Structures on Electronic Thin Films

Chang,

Chen,

Chang

et al. 2024

Crystal Growth & Design

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The deposition of Ni film on the Si substrate is important due to its broad applications in electronics, especially at the nanoscale. In this study, we applied molecular dynamics simulations to perform a subatomic observation simultaneously during the process of sputtering Ni on crystalline Si, and a model according to the Thompson formula was developed to simulate the energy distribution of ejected atoms during sputtering. We found the critical parameters controlling interdiffusion behavior were substrate temperature and incident flux of Ni. The substrate temperature significantly leads the crystallinity of the Ni film, where they exhibit amorphous, FCC, and BCC structures at substrate temperatures below 400, 500−600, and beyond 700 K, respectively. The incident flux dominates the crystallinity of the deposited Ni film. Only amorphous Ni forms with 10 atom/ps flux, and fewer defects in the FCC Ni film were observed with 2.5 atom/ps flux. To balance the throughputs and film quality, an incident flux of 2.5 atom/ps is the optimized choice. The detailed understanding enables the control of thin films during electronic fabrication.

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“…For example, the deposition of an AlNi film on a Ni surface was performed by MD simulations with different conditions [36,37]. Hassani et al [38] studied the interface of an Al film coating on a Ni sample using deposition process simulation. Fu et al [39] investigated the intermixing and hardness of a Cu film coating on Ni specimens by employing MD simulation technique.…”

Section: Introductionmentioning

confidence: 99%

“…Finally, the upper atoms belong to the free group to interact with incident atoms. Table 1(a) displays the sputtering process parameters selected by referring to some reports [36][37][38]. The time step is 0.001 ps.…”

Section: Introductionmentioning

confidence: 99%

Mechanical characteristics of Ni₅₀Co₅₀/Ni substrate during indentation by molecular dynamics

Pham¹,

Fang²,

Nguyen³

et al. 2022

Modelling Simul. Mater. Sci. Eng.

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Coating an alloys film onto a metallic surface could dramatically improve the surface quality. This report studies the microstructure and intermixing phenomena of Ni50Co50 film deposited on Ni(001) substrate with flat, asperity and trench Ni surfaces by molecular dynamics (MD) simulation. The effects of the film thickness and loading velocity on the mechanical properties and deformation behaviours of the sample are also surveyed by indentation. The results represent that the intermixing and lattice structure of the film is enhanced after annealing. Moreover, the sample hardness is improved as the deposited Ni50Co50 film when the film thickness rising from 18 to 38 Å. In contrast, the structure transformation rate and dislocations density of the sample decrease when the Ni50Co50 film becomes thicker. Interestingly, the plastic deformation rate and dislocation density of the sample at the trench surface are higher than the flat one. Besides, the increase of the loading velocity gives rise to the plastic deformation and the local stress rates. The dislocation density of the Ni50Co50/Ni sample is reduced if the loading speed is high enough.

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Statistical investigations of the film-substrate interface during aluminum deposition on Ni(111) by molecular dynamics simulation

Cited by 11 publications

References 24 publications

Molecular dynamics investigation of a one-component model for the stacking motif in complex alloy structures

Molecular dynamics investigation of a one-component model for the stacking motif in complex alloy structures

Transformation and Control of Crystal Structures on Electronic Thin Films

Mechanical characteristics of Ni₅₀Co₅₀/Ni substrate during indentation by molecular dynamics

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Statistical investigations of the film-substrate interface during aluminum deposition on Ni(111) by molecular dynamics simulation

Cited by 11 publications

References 24 publications

Molecular dynamics investigation of a one-component model for the stacking motif in complex alloy structures

Molecular dynamics investigation of a one-component model for the stacking motif in complex alloy structures

Transformation and Control of Crystal Structures on Electronic Thin Films

Mechanical characteristics of Ni50Co50/Ni substrate during indentation by molecular dynamics

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Product

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Mechanical characteristics of Ni₅₀Co₅₀/Ni substrate during indentation by molecular dynamics