Since we use no tangential forces, we will discuss the normal direction of a contact only. Considering the collision of two particles, the situation is modelled by a spring and a dashpot, see Eqs. 1 and 2 so that the relative acceleration during contact is , with . Due to force balance we set what leads to a differential equation for negative penetration depth :
In Eq. 3, , , and the reduced mass . The solution of Eq. 3 is for :
with the corresponding velocity:
In Eqs. 4 and 5 is the relative velocity before collision and the damped frequency. As long as , the typical duration of the contact of two particles is:
because the interaction ends when y(t) > 0. The coefficient of restitution is defined as the ratio of velocities after and before contact so that Eqs. 5 and 6 lead to
From Eqs. 4 and 5 the maximal penetration depth follows the condition , so that and
The maximum penetration depth is in the case of, say, steel particles much smaller than the particle diameter. Thus we check in our simulations that is always orders of magnitude smaller than .
The elasticity k in Eq. 1 is e.g. a function of the Young modulus and the Poisson ratio, which are material dependent and thus fix for a given material in our simplified model. Using the theory of Hertz, a more complicated dependence of k on the impact velocity, the elasticity , and the penetration depth is found, e.g. . In Ref. [20], the contact time of two steel spheres with diameter d = 1.5mm and with an impact velocity of m/s was evaluated to s. We checked for some situations that the more realistic Hertz model does not change the results [21] and thus used the simpler linear model. For a detailed discussion of different MD models and force-laws see Ref. [22].
For weak dissipation is proportional to , so that an increase of k by a factor of 100 decreases by a factor of 10. Now taking physical values for leads to extremely long MD- computing times for a given simulation time. One has to insure that the time scales of the system, i.e. , and of the algorithm, i.e. the integration time step , are well separated. Ideally one should have . The MD-simulations reported here were done with . Using contact times in the range s s, by choosing k according to Eq. 6, we have simulation time steps in the range s s.
In our simulations we have as a typical set of parameters mm, s , s and s. These parameters lead with the above equations to s, and , i.e. rather strong dissipation.