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. 2025 Apr 30;21(9):4792–4814. doi: 10.1021/acs.jctc.5c00319

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
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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