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[lammps-users] Does Timestep (time units) matter in a uniaxial tensile simulation using ReaxFF?
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[lammps-users] Does Timestep (time units) matter in a uniaxial tensile simulation using ReaxFF?


From: Anubhav Roy <aroy13@...3211...>
Date: Wed, 4 Oct 2017 22:37:45 -0500

Hello,
  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.?


Yours Truly
Anubhav Roy
University of Alabama
Department of Aerospace Engineering and Mechanics
Tuscaloosa, U.S.