.... The relaxation times are calculated from the temporal decay of the autocorrelation function of the fluctuation of total energy of each normal mode in the ⟨ 100 ⟩ family of directions, where the total energy of each mode is obtained from the normal mode decomposition of the motion of the silicon atoms over...

...R. J. Goldstein; K. S. Kulkarni Energy separation is a spontaneous redistribution of total energy (enthalpy) in a fluid without external work or heat flow, resulting in some portion of fluid having higher total energy (enthalpy) and another portion having lower energy (enthalpy) than...