LIGGGHTS® - User Forum

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

pair_style and integration nvt or nve

Submitted by rasoul on Wed, 08/21/2013 - 14:55

I have a question about pair_style. I'd like to simulate solid materials such as shale, clay, sand, and like this. I need to know what the appropriate pair_style for doing that is?

Another question is about integration. In my project I have to decrease temperature from X1 to X2. How can I do that?
And using "fix integer nvt/sphere temp X1 X2 DX" is true or not?

Thanks a lot for the response in advance.

Temperature control

Submitted by rasoul on Tue, 08/20/2013 - 20:50

For doing a project I face some unknowns.

The one is that I want to simulate crack propagation in shale (a type of
sand) and investigate crack pattern in shale if I decrease the temperature by LIGGGHTS. I need to know how I can decrease it (temperature of the simulation box)?

Second is that do you know the material properties of shale?

The easiest way is to fix the temperature of some particles, I need to know how I can set it to a certain temperature every few time-steps?

Thanks a lot for your attention in advance.

Sincerely,
Rasoul

How to determine the maximum contact force

richti83's picture
Submitted by richti83 on Tue, 08/20/2013 - 08:59

I've a question about computing the maximum contact force
I know I can get the pair-force with
compute 2 all pair/gran/local force
But How to calculate the magnitude ?
(I tried variable fmag atom sqrt(c_2[1]^2+c_2[2]^2+c_2[3]^2) but got ERROR: Mismatched compute in variable formula)

Next problem is how to find the maximum of fmag, I tried
variable fmax equal max(fmag)
but got "ERROR: Invalid special function in variable formula"

Large region casuing slow performance, how to speed up?

Submitted by keepfit on Fri, 08/16/2013 - 20:14

Hi Chris,

I created a large region compared to the radii of particles, and the time-stepping becomes very slow.

region reg block -0.01 8.1 0.0 1.51 -0.01 4.51 units box

The particles radii varies from 0.008 to 0.016, and total # of particles is 10k. So the region is mostly empty.

I tried using shrink-wrapped "boundary s s s" but the issue remains.

Triaxial test implementation

Submitted by afsalaza on Thu, 08/15/2013 - 02:00

Hello everyone,
I have been using Liggghts for a couple weeks and I have already done a simple shear test but now I want to do a triaxial test. I read about the servo control walls but since the test is a cylindrical moving boundary I dont think that is a proper boundary because of two reasons:
1. The walls are rigid boundary and in reality they are flexible.
2. I can not think of moving the cilindrical walls with out changing the shape or leaving a gap.

rotate the wall

Submitted by shokeyi on Tue, 08/13/2013 - 23:06

Hi everyone,
I tried to give the wall an angle velocity with "fix move/mesh" command. It gives as "fix c1 all move/mesh mesh cad1 rotate/variable origin 0 0 0 axis 1 1 1 omega 0.5". However, the result shows "ERROR: Variable name 1 for fix move/mesh rotate dynamic does not exist (mesh_mover.cpp:329)". Does anyone know how to modify it? My LIGGGHTS version is 2.2. Thanks.

Define a groupbased on particle diameter

Submitted by shao_lee on Tue, 08/13/2013 - 17:58

Hello everyone,

Could anyone be kind to tell me how to define a group based on particle diameter? Say, "group sub diameter <= A".

In the newest version of LAMMPS, this could be done by using 'variable' keyword with group command, as described in http://lammps.sandia.gov/doc/group.html

However, in the current version of LIGGGHTS (2.3.6), the 'variable' keyword cannot be used with group command.

Thank you in advance!

Lei

inclined moving wall

Submitted by xiuhan on Tue, 08/13/2013 - 13:51

Hi all, I am trying to create a wall in Liggghts in gran style to track the particle-wall interaction force. Well I want my wall be tilted for 45 degrees, so not perfectly xplane or yplane or zplane.... and also can move horizontally forward with constant velocity. basically it looks like this. \ ------> A tiled wall moving in horizontal direction. I don't see how to set it through fix wall/gran command. Is it possible in Liggghts? I am not expecting it to be very difficult....

Thanks for any reply.

xiuhan

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