fix continuum/weighted command — LIGGGHTS v3.X documentation

# fix continuum/weighted command

## Syntax

fix ID group-ID continuum/weighted keyword value

- ID, group-ID are documented in fix command
- continuum/weighted = style name of this fix command
- zero or one keyword/value pairs may be appended

    keyword = {kernel_radius, kernel_type, compute}
      kernel_radius value = radius
        radius = Radius of the smoothing kernel
      kernel_type value = type
        type = Type of kernel {Top_Hat, Gaussian, Wendland}
      compute value = compute-type
        compute-type = Which tensor(s) to compute {stress, strain, stress_strain}

## Examples

    fix 1 all continuum/weighted kernel_radius 0.01 compute stress
    fix 1 all continuum/weighted kernel_radius 0.2 kernel_type Wendland compute stress_strain

## Description

If the compute keyword is set to either stress or stress_strain this fix calculates the complete stress tensor at each particle according to Goldhirsch. The formula is given by:

    sigma_{i,ab} = -1/2 sum_{j,k} f_{jk,a} r_{jk,b} integral_0^1 phi(**r**_i - **r**_j + s **r**_{jk}) ds
                 - sum_j m_j v'_{ij,a} v'_{ij,b} phi(r_i - r_j)
                 + sigma_wall_{i,ab}

where

    v'_{ij} = v**_j - **V**_i
    **V**_i = **p**_i / rho_i
    **p**_i = sum_j m_j **v**_j phi(r_i - r_j)
    rho_i = sum_j m_j phi(r_i - r_j)
    phi(**r) = H(radius - |r|) / Omega(radius)
    Omega(radius) = 4/3 pi radius^3

and

    v is the velocity vector
    **f**_{ij} force acting from j onto i
    **r**_{ij} vector from center of j to center of i
    m_i mass of particle i
    H is the Heavyside function

In case solid boundaries are present the last term is given according to Weinhart et al. by

    sigma_wall_{i,ab} = - sum_{j,k} f_{jk,a} a_{jk,b} integral_0^1 phi(**r**_i - **r**_j + s **a**_{jk}) ds

where

    **a**_{jk} = **r**_j - c_{jk}

and **c**_{jk} is the contact point of particle j with wall k and the sum runs over all particles j and walls k.

If the compute keyword is set to either strain or stress_strain this fix calculates the incremental strain tensor at each particle according to Zhang et al. The formula is given by

    epsilon_*i,ab* = 1/(2 rho_i) sum_*j,k* m_j m_k phi(**r**_{ij}) dt (**v**_{jk,a} grad_phi(**r**_{ik},b) + **v**_{jk,b} grad_phi(**r**_{ik},a))

where most of the variables are given as above and additionally

    **v**_{ij,a} is the a-th component of the velocity difference between i and j
    grad_phi(**r**_{ij},a) is the a-th component of the gradient of phi with respect to **r**_i
    dt is the time-step size

The following three kernel types are implemented at the moment:

- Top_Hat - Top hat kernel

    w(r) = a_t * 1 if q < 1 (q = r / kernel_radius)
         = 0 otherwise

- Gaussian - Gaussian kernel

    w(r) = a_g * exp(-q^2) (q = 3 r / kernel_radius)

- Wendland - Quinitic radial polynomial

    w(r) = a_w * (1-q/2)^4 (1+2q) (q = 2 r / kernel_radius)

Note that all kernels are equal to zero if r > kernel_radius (this implies a cut-off for the Gaussian). The constants a (different for each kernel) are chosen such that the integral of w over the ball of radius kernel_radius is equal to one. In case of the top hat kernel a_t is equal to the volume of this sphere.

## Restart, fix_modify, output, run start/stop, minimize info

No information about this fix is written to binary restart files. None of the fix_modify options are relevant to this fix.

The values can be dumped by using the f_stressTensor_[i] and/or f_strainTensor_[i] (0 <= i <= 8) values in dump commands

No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during `energy minimization`.

## Restrictions

Strain computation does not work with the default TOP_HAT kernel as its derivative is zero.

In order to ensure that all particles in the kernel radius are considered make use of the neigh_modify command. In particular the contact_distance_factor which should be set such that

    2*min(radius)*contact_distance_factor >= kernel_radius

## Related commands

compute, compute stress/atom, fix ave/atom, fix ave/histo, fix ave/time, fix ave/spatial, fix ave/euler

Default: none

References:

(Goldhirsch) Goldhirsch; Stress, stress asymmetry and couple stress: from discrete particles to continuous fields, Granular Matter (2010)

(Weinhart) Weinhart, Thornton, Luding, Bokhove; From discrete particles to continuum fields near a boundary (2012)

(Zhang) Zhang, Behringer, Goldhirsch; Coarse-Graining of a Physical Granular System, Progress of Theoretical Physics Supplement (2010)