Research Article
Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur
Table 4
Potential parameters fitted by FP calculations.
(a) Morse potential (Cu-S) |
| Kind of pair | | | | Unit | kJ/mole | 1/nm | nm |
| Cu-S | 298.916 | 1.500 | 2.029 | (Mo-S) | (152.076) | (1.800) | (2.532) |
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(b) Angular potential (S-Cu-S, Cu-S-Cu) |
| Combination | | Unit | deg. |
| S-Cu-S | 98.966 | Cu-S-Cu | 98.966 |
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(c) B-M-H ionic potential (Cu-S) |
| Kind of pair | | | | Unit | nm | nm | nm |
| ā | 2.5319 | 0.70052 | 1.8314 |
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has been already obtained for MoS2 potential [10].
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