Table 1.

Parameters of Tersoff and Tersoff/ZBL potentials used in MD simulations [29,30].

Parameters	C–C [29]	C–Fe [30]	C–Cr [30]
m	3	1	1
γ	1	0.074856	0.000688
λ 3	0	0	0.612216
A (eV)	1544.8	1035.475541	0.001679
B (eV)	389.63	357.343176	0.148484
λ1 (Å−1)	3.4653	3.080134	4.062626
λ2 (Å−1)	2.3064	2.153411	1.985278
β (Å−1)	4.1612 × 10−6	1	0.294
n	0.99054	1	1
c	19981	1.116742	3.933538
d	7.034	0.946631	0.174972
cosθ0	−0.33953	−0.186653	−0.1785
R (Å)	1.95	2.6	2.95
D (Å)	0.15	0.2	0.1
AF (Å−1)	-	10	8
rC (Å)	-	1.0	1.2