LIGGGHTS® - User Forum

LIGGGHTS® related topics can be discussed here: discussion about models, installation, feature requests and general discussion

Gaussian distribution for radii using particletemplate/sphere and particledistribution/discrete

Submitted by willroc7 on Mon, 08/29/2011 - 17:28

Is it possible to use a gaussian distribution of radii for the particletemplate/sphere command? The documentation says it is possible but I am getting the following error:

ERROR: Random style gaussian not available for radius

My pertinent code is:
fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2500 radius gaussian 0.0003 0.00005
fix pdd1 all particledistribution/discrete 1. 1 pts1 1.0

Thanks,
Will

Heat flow in aggregate (hybrid granular/molecular) particles

msbentley's picture
Submitted by msbentley on Mon, 08/29/2011 - 11:59

Hi all,

I have been playing with aggregated particles using a hybrid granular/molecular pair style, and am now introducing heat flow into the simulation. In the current implementation if I exclude the aggregates from neighbor calculations, there is no heat flow between member particles (this, of course, makes sense!). If I remove this exclusion, then heat does indeed flow, but at a rate determined by the thermal properties and the initial overlap when the aggregates are created (i.e. determining the contact area).

I would prefer either to be able to either:

[belongs to bug #3]Co-ordination number problem

msbentley's picture
Submitted by msbentley on Tue, 08/23/2011 - 11:55

This probably relates to this problem, but I've posted a new topic to attach some images...

I have just tried to verify the coordination number for some simple packings (in this case simple cubic). I have computed and dumped the coordination number using computer coord/gran. I was expecting a coordination number of 6 everywhere apart from at the edges...

Feature request: add contact area to computer pair/gran/local etc.

msbentley's picture
Submitted by msbentley on Fri, 08/19/2011 - 16:19

I am about to start working both with cohesive materials, and also with heat flow - in both of these cases the contact area between particles is an important parameter. It would be great if this value could be exposed to compute pair/gran/local so that it could also be output via dump local...

I can probably figure out the changes if nobody else finds it useful, but I haven't yet started to dig into the code base ;-)

Thanks! Mark

speeding up a thermal-only sim (no particle motion)

msbentley's picture
Submitted by msbentley on Fri, 08/19/2011 - 15:56

Hi everyone,

I've been running a simulation that uses a hybrid granular/molecular style, and performing the integration with a "fix rigid molecule". Once these aggregates have settled, I then heat the lower boundary and want to study the heat flow through this material.

how to calculate the no. of neighbors

Submitted by prasantud on Wed, 08/17/2011 - 08:45

Hi everybody,
I am getting too much neighbors for my following file.
I am using the fcc lattice, so it will have have co-ordination no 12.
But the output is giving me co-ordination no as 655.
It creates 655 atoms

###### code starts here ###############
units si
boundary s s s
atom_style granular diameter 0.001 density 9000
atom_modify map array sort 0 0.0
newton off
communicate single vel yes

lattice fcc 0.002
region reg block 0 1.6e-2 0 1.0e-2 0 0.006 units box
create_box 1 reg

create_atoms 1 box units box

pair_style gran/hooke/history 1 0
pair_coeff * *

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