Table 4.
Thermostat Dynamics | |||
---|---|---|---|
Thermostat | VACF | Diffusivity | Remarks |
OUP | Follows an exponential decay at short and long times | Not considered in this study | |
MLN | Follows (i) an exponential decay at short times and (ii) an algebraic decay over long times (translational: t−3/2 and rotational: t−5/2) | Obeys Stokes-Einstein (translation) and Stokes-Einstein-Debye (rotation) relations, with scaling factors of 12 and 103.2, respectively | Conformed to hydrodynamic wall interactions |
IT | Follows (i) an exponential decay at short times and (ii) an algebraic decay over long times (translational: t−3/2 and rotational: t−5/2) | Not considered in this study |