How to set temperature in the dislotungsten model

[prnvrvs]

Hello DAMASK team,
I am trying to run a simulation of the dislotungsten tungsten model and want the initial temperature of the material to be 500 K.
So far, I have tried adding:
T_ref: 500
to the material configuration,
and in .vti file as well

but I do not see any change in the resulting yield point.
Could you please advise:
What is the correct parameter to set the initial temperature in the grid solver?

homogenization:
  SX:
    N_constituents: 1
    mechanical: {type: pass}

phase:
  Tungsten:
    lattice: cI
    rho: 19300.0
    mechanical:
      output: [F, P, F_e, F_p, L_p, O, rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass]
      elastic:
        type: Hooke
        C_11: 524.3e+9
        C_11,T: -4.794e+7
        C_12: 205.1e+9
        C_12,T: -2.836e+6
        C_44: 160.7e+9
        C_44,T: -1.269e+7

        T_ref: 500
      plastic:
        type: dislotungsten
        N_sl: [12]
        b_sl: [2.72e-10]
        rho_mob_0: [1.0e+10]
        rho_dip_0: [1.0e+10]
        Q_s: [2.61154e-19]
        B: [8.3e-5]
        omega: [9.1e+11]
        T_ref: 500
        p_sl: [0.86]
        q_sl: [1.69]
        tau_Peierls: [2.03e+9]
        h: [2.566e-10]
        h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
        w: [2.992e-9]
        a_non-Schmid: [[0.938, 0.71, 4.43]]
        i_sl: [1]
        D: 1.0e+20
        D_a: 1.0
        D_0: 0.0
        f_at: 1
        Q_cl: 1.0
material:
  - homogenization: SX
    constituents:
      - phase: Tungsten
        v: 1.0
        O: [1,0.0,0.0,0.0]

import numpy as np
import damask

# 1. Define the grid resolution (voxels)
cells = [32, 32, 32]

# 2. Define the physical size (in meters)
size = [1.0e-3, 1.0e-3, 1.0e-3]

# 3. Create the material ID array (all 0 for single crystal)
# Note: Ensure the shape matches cells
material_ids = np.zeros(cells, dtype=int)

# 4. Initialize GeomGrid (Standard for DAMASK 3.x)
grid = damask.GeomGrid(material=material_ids, size=size,initial_conditions={'T':500})
# 5. Save as a .vti file
grid.save('single_crystal.vti')

print("Successfully created single_crystal.vti")

My load.yaml looks like

solver:
  mechanical: spectral_basic
loadstep:
  - boundary_conditions:
      mechanical:
        dot_F: [[x, 0, 0],
                [0, x, 0],
                [0, 0, 1e-3]]
        P: [[0, x, x],
            [x, 0, x],
            [x, x, x]]
    discretization:
      t: 2
      N: 100
    f_out: 5

[FranzRoters]

T_ref is not the temperature but the reference temperature for quantities in material.ymal that depend on temperature. This implies that it should not be changed as that would change the values of C in your case.

You want to set the initial value of 'T', which is done via an initial condition in the vti file, also see #76.

[prnvrvs]

Thanks for the reply

Please also correct me here as well:

solver also need thermal: spectral to include along with mechanical: spectral_basic otherwise default temperature (i.e. room temp: 293.15K) will run.

[FranzRoters]

If you want the temperature to evolve you also need to activate the thermal solver, in which case you need additional inputs, e.g. thermal properties and heat source(s). Please check the website for details.