Issue setting multiple temperatures for different groups

Submitted by regireland on Fri, 11/10/2023 - 01:11

Hey, I almost have a heat transfer model working for me, only issue is that I used the fix heat/gran and fix heat/gran/conduction command to set two different groups to have different temperatures so that heat transfer can occur, however I run into the issue that I cannot have more than one fix of this style. Heres the run data below and help is much appreciated

Desktop/Filter_Dryer_Stuff$ liggghts -echo both < input.liggghts
LIGGGHTS (Version LIGGGHTS-PUBLIC 3.8.0, compiled 2022-02-16-11:09:04 by buildd, git commit unknown)
### Continuous Heat Transfer in a filter dryer simulation

### Initialization

# Preliminaries
units si
atom_style sphere
boundary f f f
newton off
communicate single vel yes

# Declare domain
region reg block -0.320 0.320 -1.960 1.460 -0.290 0.335 units box
create_box 3 reg
Created orthogonal box = (-0.32 -1.96 -0.29) to (0.32 1.46 0.335)
1 by 1 by 1 MPI processor grid

### Setup

# Material and interaction properties required
fix m1 all property/global youngsModulus peratomtype 2.5e7 2.5e7 2.5e7
fix m2 all property/global poissonsRatio peratomtype 0.25 0.25 0.25
fix m3 all property/global coefficientRestitution peratomtypepair 3 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
fix m4 all property/global coefficientFriction peratomtypepair 3 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
fix m5 all property/global coefficientRollingFriction peratomtypepair 3 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1

# Particle insertion r5
region factory block -0.225 0.225 -1.650 -1.450 0.3 0.33 units box
group R5 type 3 4
0 atoms in group R5
fix pts1 R5 particletemplate/sphere 10949 atom_type 1 density constant 1240 radius constant 0.02
fix pd1 R5 particledistribution/discrete 11527 1 pts1 1.24
WARNING: particledistribution/discrete: sum of distribution weights != 1, normalizing distribution (./src/fix_particledistribution_discrete.cpp:135)
Fix particledistribution/discrete (id pd1): distribution based on mass%:
pts1: d=4.000000e-02 (max. bounding sphere) mass%=100.000000%
Fix particledistribution/discrete (id pd1): distribution based on number%:
pts1: d=4.000000e-02 (max. bounding sphere) number%=100.000000%
fix ins1 R5 insert/rate/region seed 15485863 distributiontemplate pd1 nparticles 10000000 massrate 1.66666667 insert_every 1000 overlapcheck yes vel constant 0. 0. -1. region factory ntry_mc 10000

# Particle insertion mek
group MEK type 3 4
0 atoms in group MEK
fix pts2 MEK particletemplate/sphere 11059 atom_type 2 density constant 805 radius constant 0.001
fix pd2 MEK particledistribution/discrete 11467 1 pts2 0.805
WARNING: particledistribution/discrete: sum of distribution weights != 1, normalizing distribution (./src/fix_particledistribution_discrete.cpp:135)
Fix particledistribution/discrete (id pd2): distribution based on mass%:
pts2: d=2.000000e-03 (max. bounding sphere) mass%=100.000000%
Fix particledistribution/discrete (id pd2): distribution based on number%:
pts2: d=2.000000e-03 (max. bounding sphere) number%=100.000000%
fix ins2 MEK insert/rate/region seed 49979693 distributiontemplate pd1 nparticles 10000000 massrate 1.66666667 insert_every 1000 overlapcheck yes vel constant 0. 0. -1. region factory ntry_mc 10000

# Import mesh from cad:
group FD type 3 4
0 atoms in group FD
fix cad1 FD mesh/surface file FDryerShell.stl type 1 scale 0.001 curvature 1e-5

Reading STL file 'FDryerShell.stl' (mesh processing step 1/3)
fix cad2 all mesh/surface file FDryerAgi.stl type 1 scale 0.001 curvature 1e-5

Reading STL file 'FDryerAgi.stl' (mesh processing step 1/3)
fix h4 FD heat/gran/conduction initial_temperature 318.15

# Use the imported mesh as granular wall
fix mixer all wall/gran model hertz tangential history mesh n_meshes 2 meshes cad1 cad2

# Define the physics
pair_style gran model hertz tangential history rolling_friction cdt
pair_coeff * *

### Detailed settings

# Integrator
fix integrate all nve/sphere

# Gravity
fix grav all gravity 9.81 vector 0.0 0.0 -1.0

# Timestep (keep < 20% T_Rayleigh)
timestep 0.00003125

# Thermodynamic output settings
thermo_style custom step atoms ke cpu
thermo 1600
thermo_modify lost ignore norm no

# Rotate the shafts
fix movecad1 all move/mesh mesh cad2 rotate origin -0.1369 0. -0.0462 axis 0. 1. 0. period 1.5 # 10 RPM

#Material Thermodynamic Properties
fix h1 all heat/gran/conduction initial_temperature 293.15
fix h3 all property/global thermalCapacity peratomtype 1.0 2.203
fix h5 all property/global thermalConductivity peratomtype 1.1 0.146

# Check time step and initialize dump file
fix ctg all check/timestep/gran 1 0.01 0.01
run 1
WARNING: It is heavily recommended to use 'neigh_modify delay 0' with granular pair styles (./src/pair_gran.cpp:237)
ERROR: Fix heat/gran/conduction (id h4): cannot have more than one fix of this style (./src/fix_heat_gran.cpp:163)