Open Access
Table 1
Schematic calculation plan used in the MD simulation.
| Materials | Nanoparticle | spherical Pd cluster (diameter 1, 2, 3 and 4 nm), 43–2,310 atoms |
|---|---|---|
| Substrate | rectangular Cu (15 nm × 15 nm × 4.0 nm) approx. 77,326 atoms | |
| Operating conditions | Duration of simulation | 20 picoseconds |
| Time-step | 1 fs (0.001 ps) | |
| Particle diameter | 1–4 nm | |
| Impact velocity | 500–1500 m/s | |
| Angle of impact | 900 | |
| Initial Stand-off distance | 1.5 nm | |
| Boundary condition | p p s | |
| Potential used | Embedded-atom-method (EAM) [37,38] | |
| Initial temperature | 300–1000 K | |
| Substrate crystal orientation | [100] [010] [001] for x, y and z-axis |
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