Table 3. Various Simulations of TF Deposition Carried out Recently (all Employed Simulation Techniques Were Based Purely on MD) Compared to the MD + tfMC Simulation Performed in this Work, and the two Alternative Approaches (MD and MD + MD) Considered in this Work.
| deposition
parameters |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| deposition rate | atom flux | growth speed | ||||||||
| authors, reference, and year | substrate (type, dimensions and size) | thin film (type, thickness and size) | interatomic potential(s) used | simulation method | ||||||
| Xie et al.15 2014 | dc Si (001) | ZrxCu1–x | Tersoff, | 0.5 | 800 | 120–225 | MD | |||
| 2.5 × 2.5 nm2 | 4–7.5 nm | EAM, and | ||||||||
| ≈400 atoms | ≈10,000 atoms | Lennard-Jones | ||||||||
| Kateb et al.19 2019 | fcc Cu (111) | Cu | EAM | 10 | 1443 | 960–1440 | MD | |||
| 7.7 × 9 nm2 | 4–6 nm | with | ||||||||
| ≈16,000 atoms | 25,000 atoms | ZBL | ||||||||
| Weng et al.20 2020 | fcc Ni (001) | NiTi | 2NN MEAM | 66.7 | 5320 | 4765 | MD | |||
| 11.2 × 11.2 nm2 | 3 nm | |||||||||
| 63,488 atoms | 25,200 atoms | |||||||||
| Mes-adi et al.21 2022 | dc Si (001) | Cu | EAM | 1 | 343 | 144 | MD | |||
| 5.4 × 5.4 nm2 | 1.2 nm | and | and | and | ||||||
| 4000 atoms | 5000 atoms | 10 | 3430 | 1440 | ||||||
| This work | dc Si (001) | Au | 2NN MEAM | 0.167 | 3.48 | 3.73 | MD + tfMC | |||
| 21.8 × 21.8 nm2 | 3 nm | 0.799 | 16.8 | 18.0 | MD + MD | |||||
| 64,000 atoms | 80,000 atoms | 2.13 | 44.6 | 47.9 | MD | |||||