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Two particle contacts

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 tex2html_wrap_inline1205 , with tex2html_wrap_inline1207 . Due to force balance we set tex2html_wrap_inline1209 what leads to a differential equation for negative penetration depth tex2html_wrap_inline1211 :

  equation160

In Eq. 3, tex2html_wrap_inline1213 , tex2html_wrap_inline1215 , and the reduced mass tex2html_wrap_inline1217 . The solution of Eq. 3 is for tex2html_wrap_inline1219 :

  equation170

with the corresponding velocity:

  equation175

In Eqs. 4 and 5 tex2html_wrap_inline1221 is the relative velocity before collision and tex2html_wrap_inline1223 the damped frequency. As long as tex2html_wrap_inline1225 , the typical duration of the contact of two particles is:

  equation187

because the interaction ends when y(t) > 0. The coefficient of restitution tex2html_wrap_inline1229 is defined as the ratio of velocities after and before contact tex2html_wrap_inline1231 so that Eqs. 5 and 6 lead to

equation194

From Eqs. 4 and 5 the maximal penetration depth tex2html_wrap_inline1233 follows the condition tex2html_wrap_inline1235 , so that tex2html_wrap_inline1237 and

  equation202

The maximum penetration depth tex2html_wrap_inline1239 is in the case of, say, steel particles much smaller than the particle diameter. Thus we check in our simulations that tex2html_wrap_inline1233 is always orders of magnitude smaller than tex2html_wrap_inline1243 .

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 tex2html_wrap_inline1247 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. tex2html_wrap_inline1251 . In Ref. [20], the contact time of two steel spheres with diameter d = 1.5mm and with an impact velocity of tex2html_wrap_inline1255 m/s was evaluated to tex2html_wrap_inline1257 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 tex2html_wrap_inline1247 is proportional to tex2html_wrap_inline1261 , so that an increase of k by a factor of 100 decreases tex2html_wrap_inline1247 by a factor of 10. Now taking physical values for tex2html_wrap_inline1247 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. tex2html_wrap_inline1247 , and of the algorithm, i.e. the integration time step tex2html_wrap_inline1271 , are well separated. Ideally one should have tex2html_wrap_inline1273 . The MD-simulations reported here were done with tex2html_wrap_inline1275 . Using contact times in the range tex2html_wrap_inline1277 s tex2html_wrap_inline1279 s, by choosing k according to Eq. 6, we have simulation time steps in the range tex2html_wrap_inline1283 s tex2html_wrap_inline1285 s.

In our simulations we have as a typical set of parameters tex2html_wrap_inline1287 mm, tex2html_wrap_inline1289 s tex2html_wrap_inline1291 , tex2html_wrap_inline1293 s tex2html_wrap_inline1295 and tex2html_wrap_inline1297 s. These parameters lead with the above equations to tex2html_wrap_inline1299 s, and tex2html_wrap_inline1301 , i.e. rather strong dissipation.


next up previous
Next: Multi particle contacts Up: Contacts Previous: Contacts

Wed Jan 8 19:15:00 MET 1997