I was thinking of decreasing the strain rate for an uniaxial tensile test which demands an increase of timestep considering same simulation time and adjusting the same intermediate equilibration time periods too. Now for ReaxFF probably the recommended timestep is 0.1 femtoseconds. Will it hamper the simulation if I increase it may be four or eight times by using 0.4 or 0.8 femtoseconds as the timestep.?
University of Alabama
Department of Aerospace Engineering and Mechanics