LIGGGHTS® - User Forum

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

calculation of neighbors neigh/atom neighbor list

Submitted by prasantud on Mon, 09/12/2011 - 15:20

Hi Chris,
Could you give hints about the calculation of neighbors in LIGGGHTS?
I am using the following commands in the programme.
lattice fcc 0.0013
neighbor 0.00125 bin

It is creating
Total # of neighbors = 48418
Ave neighs/atom = 24.209
Neighbor list builds = 27

create atoms different youngsModulus

Submitted by jikra on Sun, 09/11/2011 - 23:13

Hi

i need create 2 atoms with different youngsModulus parametr.

i try this:

fix m1 all property/global youngsModulus peratomtype 5.e7 5.e6

create_atoms 1 single 0.0 0.0 10.0
set atom 1 density 2000 diameter 2.0

create_atoms 2 single 5 0.0 10.0
set atom 2 density 2000 diameter 2.0

So i get that ERROR: Invalid atom type in create_atoms command
What's wrong?

Thanks
jikra

Error

Submitted by yangdm on Fri, 09/09/2011 - 16:52

Hi, all

I just got an error with the 'fix' when running the LIGGGHTS examples:

fix m1 all property/global youngsModulus peratomtype 5.e6
ERROR: Invalid fix style

It seems the property/global is a LIGGGHTS style for the 'fix'.
The LAMMPS examples were done well, without any error, perhaps the LIGGGHTS was not invoked properly??

Any help is appreciated.

Non-spherical particles by clumping multiple spheres together

Submitted by marc on Thu, 09/01/2011 - 16:52

Hi everyone,

I'm trying to set up a simulation with 3 spheres clumped together, exactly as seen in LIGGGHTS Features > Non-spherical particles > Example - pouring a continuous stream of non-spherical particles, where can be seen particles made of 3 spheres glued together.

I'm exploring some possibilities to do a modification of this study http://www.nt.ntnu.no/users/skoge/prost/proceedings/ecce6_sep07/upload/1... by simulating a packed bed with non-spherical particle as my PhD study. My idea is starting with 3 spheres glued and then move on with different particle geometries.

Particle size (volume) limit in fix particletemplate/sphere

msbentley's picture
Submitted by msbentley on Mon, 08/29/2011 - 17:58

Hi all,

I have so far been running LIGGGHTS with more-or-less "large" particles (mm/cm), but now want to move towards the size that interests me, around ~1 µm or so. However, if I try to use fix particletemplate/sphere and fix particledistribution/discrete to generate small particles I get an error which seems to arise from a hard-coded limit:

if(volume_expect < 1e-12) error->all("Fix template/sphere: Volume expectancy too small");

in fix_template_sphere.cpp.

mesh/tet and insert/pack

Submitted by SergeiD on Mon, 08/29/2011 - 17:54

Hi. I want to use mesh/tet and insert/pack features.
I use in.insert_pack example file as basic for my simulation.
But I get an error when I use own insertion region geometry file instead of test.vtk:

LIGGGHTS 1.4.1 based on lammps-10Mar10
Created orthogonal box = (-1 -1 -1) to (1 6 2)
1 by 4 by 1 processor grid
Fix particledistribution/discrete (id pdd1): distribution based on mass%:
pts1: d=5.000000e-02 (max. bounding sphere) mass%=30.000000%
pts2: d=3.000000e-02 (max. bounding sphere) mass%=70.000000%

Pairstyle gran/hook/history/simple: value of damping coefficients

Submitted by Yansan on Mon, 08/29/2011 - 17:38

Hi all,

I had a look at the gran/hook/history/simple pair_style today. I thought that this pair_style should make you able to directly set the values for kn, kt, gamman and gammat depending on the contact-partners. So I was wondering why the values for the damping coefficients (gamman and gammat) are multiplied by meff. The same modification is done for wall-contacts.

I think that should be changed otherwise you have to take the multiplications into account when you set the values in the input-script.

Regards,

Yansan

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:

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