Fatigue Loading MD Simulation

I want to run simulations on 2/3 elements alloy under fatigue loading to certain strain ranges and on certain strain rates for a 9 cycles. I need to make input script for that. Where should I start?

You could extend and contract the model with ‘fix deform’.

BTW, is 9 cycles good enough to study fatigue behavior of alloys? In reality, fatigue cycles are in the range of several thousands to several millions.


  1. At the very beginning, you should define simulation condition.
  • Is the free surface is exists on specimen?
  • What simulation ensemble should I use?
  1. When a simulation condition has been defined, select a method for deform the simulation box or specimen.
  • If “p” periodic boundary condition applied to loading axis, “fix deform” may used.
  • If there is no periodic boundary in simulation box, you should use “fix move”.
    Both of fixes that mentioned above is supporting variable input as velocity of simulation box deform and movement of group.
  1. Define the fatigue loading property.
  • ex) A * sin(t) = strain
  1. Read the docs, and build your own code!
  1. Fine tune the code!

2019년 2월 16일 (토) 오후 10:39, Azmain Faek Islam <azmainfislam@…24…>님이 작성: