How to differentiate properties of the particles via particle tag

Asked by Natalia Foltyn

Hi everyone,

I have created a sample that is built from two parts, inner core and outer ring, differentiated by the particle tag. How can I differentiate the properties of each type of particles? For example: I would like to describe the bonds between particles of tag1, tag2 and between tag1 and tag2. Does somebody know how to do it?

I will be grateful for any help :)

Regards,
Natalia

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Dion Weatherley (d-weatherley) said :
#1

Hi Natalia,

For unbonded interactions, this can be done by using LsmMpi.createInteractionGroupTagged(..) in place of LsmMpi.createInteractionGroup(..).

For example, to define NRotElastic interactions between particles of tag t1 and tag t2:

sim.createInteractionGroupTagged (
   prms = NRotElasticPrms (
      name = 'pp_repel_t1_t2',
      normalK = 12345.6,
      scaling = True
   ),
   tag1 = t1,
   mask1 = -1,
   tag2 = t2,
   mask2 = -1
)

For bonded interactions, it is better to first set up bondTags appropriately. Assuming you have used gengeo to construct your specimen, the following example will construct bonds with tag b1 between particles with tags t1 and t2:

mntable.generateBondsTagged (
   groupID = 0,
   tolerance = 1.0e-5,
   bondID = b1,
   particleTag1 = t1,
   particleTag2 = t2
)

Then, in your esys simulation script, simply supply the appropriate bondTag (b1) when specifying the parameters for the bonded interactions e.g.

sim.createInteractionGroup (
   NRotBondPrms (
      name = 'pp_bonds_t1_t2',
      normalK = 12345.6,
      breakDistance = 1.5,
      tag = b1,
      scaling = True
   )
)

Cheers,

Dion

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