Merge branch 'develop' of https://github.com/ParticulateFlow/CFDEMcoupling into develop

applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H

@@ -8,9 +8,11 @@ particleCloud.energyCoefficients(QCoeff);
 
 Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
 
-// correct source for the thermodynamic reference temperature
-// dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
-// Qsource += QCoeff*Tref;
+// For implict T terms in the energy/enthalpy transport equation, use
+// (he_n+1 - he_n) / (T_n+1 - T_n) = Cpv to eliminate T_n+1 with he_n+1.
+// This formula is valid for ideal gases with e=e(T) and h=h(T). For
+// incompressible fluids, e=e(T) holds, too, but enthalpy would need correction
+// terms accounting for pressure variations.
 
 fvScalarMatrix EEqn
 (
@@ -26,13 +28,13 @@ fvScalarMatrix EEqn
            )
           : -dpdt
        )
-    // net heat transfer from particles to fluid
       - Qsource
+      - QCoeff*T
       - fvm::Sp(QCoeff/Cpv, he)
-    // thermal conduction of the fluid with effective conductivity
+      + QCoeff/Cpv*he
+      - fvc::laplacian(voidfraction*thCond,T)
       - fvm::laplacian(voidfraction*thCond/Cpv,he)
-    // + particle-fluid energy transfer due to work
-    // + fluid energy dissipation due to shearing
+      + fvc::laplacian(voidfraction*thCond/Cpv,he)
      ==
 //      + combustion->Sh()
        fvOptions(rho, he)

tutorials/cfdemSolverPiso/bubblingFluidizedBed/Allrun.sh

@@ -0,0 +1,31 @@
+#!/bin/bash
+#------------------------------------------------------------------------------
+# allrun script for bubbling fluidized bed test case
+# run bubblingFluidizedBed
+# Daniel Queteschiner - October 2021
+#------------------------------------------------------------------------------
+
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+
+#- include functions
+source $CFDEM_PROJECT_DIR/etc/functions.sh
+
+# check if mesh was built
+if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then
+    echo "mesh was built before - using old mesh"
+else
+    echo "mesh needs to be built"
+    cd $casePath/CFD
+    blockMesh
+fi
+
+if [ -f "$casePath/DEM/post/restart/liggghts.restart" ];  then
+    echo "LIGGGHTS init was run before - using existing restart file"
+else
+    #- run serial DEM
+    $casePath/DEMrun.sh
+fi
+
+#- run parallel CFD-DEM
+bash $casePath/parCFDDEMrun.sh

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/0/Ksl

@@ -0,0 +1,39 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      Ksl;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -3 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            zeroGradient;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/0/U

@@ -0,0 +1,44 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    wall
+    {
+        type            slip;
+    }
+
+    inlet
+    {
+        type            uniformFixedValue;
+        uniformValue    table
+        (
+            (0.000 (0 0 0.0066))
+            (0.100 (0 0 0.6600)) // 2x minimum fluidization velocity
+        );
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/0/Us

@@ -0,0 +1,39 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    object      Us;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            zeroGradient;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/0/p

@@ -0,0 +1,40 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            zeroGradient;
+    }
+
+    outlet
+    {
+        type            fixedValue;
+        value           $internalField;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/0/rho

@@ -0,0 +1,39 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      rho;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -3 0 0 0 0 0];
+
+internalField   uniform 1.13;
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            zeroGradient;
+    }
+
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/0/voidfraction

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      voidfraction;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 1;
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 1;
+    }
+
+    outlet
+    {
+        type            fixedValue;
+        value           uniform 1;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/constant/couplingProperties

@@ -0,0 +1,110 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      couplingProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// sub-models & settings
+
+syncMode false;
+
+modelType "A";
+
+couplingInterval 100;
+
+voidFractionModel divided;
+
+locateModel engine;
+
+meshMotionModel noMeshMotion;
+
+regionModel allRegion;
+
+IOModel off;
+
+probeModel off;
+
+dataExchangeModel twoWayMPI;
+
+averagingModel dense;
+
+clockModel off;
+
+smoothingModel off;
+
+forceModels
+(
+    BeetstraDrag
+    gradPForce
+    viscForce
+);
+
+momCoupleModels
+(
+    implicitCouple
+);
+
+turbulenceModelType "turbulenceProperties";
+
+
+// sub-model properties
+
+implicitCoupleProps
+{
+    velFieldName "U";
+    granVelFieldName "Us";
+    voidfractionFieldName "voidfraction";
+}
+
+
+gradPForceProps
+{
+    pFieldName "p";
+    voidfractionFieldName "voidfraction";
+    velocityFieldName "U";
+    interpolation true;
+}
+
+viscForceProps
+{
+    velocityFieldName "U";
+    interpolation true;
+}
+
+BeetstraDragProps
+{
+    velFieldName "U";
+    granVelFieldName "Us";
+    rhoParticle 1000.;
+    voidfractionFieldName "voidfraction";
+    interpolation true;
+}
+
+engineProps
+{
+    treeSearch true;
+}
+
+dividedProps
+{
+    alphaMin 0.01;
+    scaleUpVol 1.0;
+}
+
+twoWayMPIProps
+{
+    liggghtsPath "../DEM/in.liggghts_run";
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/constant/g

@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       uniformDimensionedVectorField;
+    location    "constant";
+    object      g;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -2 0 0 0 0];
+value           ( 0 0 -9.81 );
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/constant/liggghtsCommands

@@ -0,0 +1,31 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      liggghtsCommands;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+liggghtsCommandModels
+(
+    runLiggghts
+    writeLiggghts
+);
+
+writeLiggghtsProps
+{
+    writeLast off;
+    writeName "post/restart/liggghts.restartCFDEM";
+    overwrite on;
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/constant/transportProperties

@@ -0,0 +1,23 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+transportModel  Newtonian;
+
+nu              [0 2 -1 0 0 0 0] 14.88e-6;
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/constant/turbulenceProperties

@@ -0,0 +1,20 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType laminar;
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/system/blockMeshDict

@@ -0,0 +1,70 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 1;
+
+vertices
+(
+    ( 0.0432  0.0000 -0.0048 )
+    ( 0.0000  0.0000 -0.0048 )
+    ( 0.0000  0.0100 -0.0048 )
+    ( 0.0432  0.0100 -0.0048 )
+
+    ( 0.0432  0.0000  0.1200 )
+    ( 0.0000  0.0000  0.1200 )
+    ( 0.0000  0.0100  0.1200 )
+    ( 0.0432  0.0100  0.1200 )
+);
+
+blocks
+(
+    hex (1 0 3 2 5 4 7 6) (12 1 26) simpleGrading (1 1 1)
+);
+
+boundary
+(
+    inlet
+    {
+        type patch;
+        faces
+        (
+            (0 1 2 3)
+        );
+    }
+
+    outlet
+    {
+        type patch;
+        faces
+        (
+            (4 7 6 5)
+        );
+    }
+
+    wall
+    {
+        type wall;
+        faces
+        (
+            (1 0 4 5)
+            (0 3 7 4)
+            (3 2 6 7)
+            (2 1 5 6)
+        );
+    }
+);
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/system/controlDict

@@ -0,0 +1,85 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application     cfdemSolverPiso;
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         2.1;
+
+deltaT          0.00025;
+
+writeControl    adjustableRunTime;
+
+writeInterval   0.003;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression off;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable true;
+
+adjustTimeStep  no;
+
+maxCo 0.8;
+
+
+functions
+{
+    probes
+    {
+        type    probes;
+        functionObjectLibs ("libsampling.so");
+        name    probes;
+        probeLocations
+        (
+            (0.0018 0.005 0.022)
+            (0.0054 0.005 0.022)
+            (0.0090 0.005 0.022)
+            (0.0126 0.005 0.022)
+            (0.0162 0.005 0.022)
+            (0.0198 0.005 0.022)
+            (0.0234 0.005 0.022)
+            (0.0270 0.005 0.022)
+            (0.0306 0.005 0.022)
+            (0.0342 0.005 0.022)
+            (0.0378 0.005 0.022)
+            (0.0414 0.005 0.022)
+        );
+
+        // fields to be probed
+        fields (voidfraction);
+
+        // write at same frequency as fields
+        writeControl    timeStep;
+        writeInterval   12;
+    }
+
+}
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/system/decomposeParDict

@@ -0,0 +1,28 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      decomposeParDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+numberOfSubdomains  4;
+
+method          simple;
+
+simpleCoeffs
+{
+    n           (2 1 2);
+    delta       0.001;
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/system/fvSchemes

@@ -0,0 +1,60 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+}
+
+divSchemes
+{
+    default         Gauss linear;
+    div(phi,U)      Gauss limitedLinearV 1;
+    div(phi,k)      Gauss limitedLinear 1;
+    div(phi,epsilon) Gauss limitedLinear 1;
+    div(phi,R)      Gauss limitedLinear 1;
+    div(phi,nuTilda) Gauss limitedLinear 1;
+}
+
+laplacianSchemes
+{
+    default         Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+fluxRequired
+{
+    default         no;
+    p               ;
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/CFD/system/fvSolution

@@ -0,0 +1,61 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  6
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-06;
+        relTol          0.1;
+    }
+
+    pFinal
+    {
+        $p;
+        tolerance       1e-06;
+        relTol          0;
+    }
+
+    "(U|k|epsilon|R|nuTilda)"
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    "(voidfraction|Us|Ksl|dSmoothing|UsNext|voidfractionNext)"
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-05;
+        relTol          0;
+    }
+}
+
+PISO
+{
+    nCorrectors     4;
+    nNonOrthogonalCorrectors 1;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/bubblingFluidizedBed/DEM/in.liggghts_init

@@ -0,0 +1,105 @@
+################################################################################
+# brief: Bubbling fluidized bed - creating particle bed                        #
+#                                                                              #
+# Bubbling in a fluidized bed of Geldart D particles (d=1.2mm, rho=1000kg/m3)  #
+# Cf. Case B by Khawaja, H.A., J. Comput. Multiph. Flows 7(4), 227-240 (2015)  #
+#                                                                              #
+# authors: Daniel Queteschiner                                                 #
+# date: Oct 2021                                                               #
+# copyright: 2021- JKU Linz                                                    #
+################################################################################
+
+echo both
+
+# define the attributes associated with the particles,
+# 'granular' (or 'sphere') style uses diameter, mass and angular velocity
+atom_style      granular
+
+# use an array to map particle IDs to local storage index,
+atom_modify     map array
+
+# set simulation domain to be fixed in x y z
+boundary        f f f
+
+# save communication by turning off Newton's 3rd law for pairwise interaction,
+# note: this setting only influences communication between procs, Newton's
+# 3rd law is still used for contact force calculations
+newton          off
+
+# use a single value for ghost particle cutoff distance and
+# enable velocity to be communicated with ghost particles
+communicate     single vel yes
+
+# set unit system to SI
+units           si
+
+# define the region used as simulation domain (min/max X, min/max Y, min/max Z)
+region          domain block 0.0 0.0432 0.0 0.01 0.0 0.1248 units box
+
+# create the simulation domain and 2 material types (with friction/frictionless)
+create_box      2 domain
+
+# specify the skin distance for neighbor list generation
+neighbor        0.0003 bin
+neigh_modify    delay 0
+
+
+# define the material properties required for granular pair styles
+# type 1 = particles / walls with friction
+# type 2 = frictionless walls
+fix m1 all property/global youngsModulus peratomtype 1.2e8 1.2e8
+fix m2 all property/global poissonsRatio peratomtype 0.3 0.3
+fix m3 all property/global coefficientRestitution peratomtypepair 2 0.986 0.986 0.986 0.986
+fix m4 all property/global coefficientFriction peratomtypepair 2 0.1 0.0 0.0 0.0
+
+# specify contact model to use
+pair_style  gran model hertz tangential history
+pair_coeff  * *
+
+# set the time step
+timestep    0.0000025
+
+# apply gravity
+fix gravity all gravity 9.81 vector 0.0 0.0 -1.0
+
+# define walls
+fix xwall1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0000
+fix xwall2 all wall/gran model hertz tangential history primitive type 1 xplane 0.0432
+fix ywall1 all wall/gran model hertz tangential history primitive type 2 yplane 0.0000
+fix ywall2 all wall/gran model hertz tangential history primitive type 2 yplane 0.0100
+fix zwall1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0000
+
+# particle distributions and insertion
+fix pts1 all particletemplate/sphere 367127 atom_type 1 density constant 1000 radius constant 0.0006
+fix pdd1 all particledistribution/discrete 681573 1 pts1 1.0
+
+fix ins all insert/pack seed 4763687 distributiontemplate pdd1 vel constant 0.0 0.0 -0.15 &
+    insert_every once overlapcheck yes all_in yes particles_in_region 9240 region domain
+
+# use constant NVE integration to update position, velocity and angular velocity
+fix integr all nve/sphere
+
+# output settings, include kinetic energy
+thermo_style    custom step atoms ke
+
+# set frequency of output
+thermo          1000
+
+# ignore particles leaving the simulation domain,
+# do not normalize thermodynamic output values by the number of atoms
+thermo_modify   lost ignore norm no
+compute_modify  thermo_temp dynamic yes
+
+# insert the first particles so that dump is not empty
+run 1
+
+# output particle properties
+dump dmp all custom/vtk 5000 post/liggghts_init_*.vtk id type x y z vx vy vz &
+     fx fy fz omegax omegay omegaz radius
+
+# run up to 160000 time steps (0.4s)
+run 160000 upto
+
+# write the restart file
+write_restart   post/restart/liggghts.restart
+

tutorials/cfdemSolverPiso/bubblingFluidizedBed/DEM/in.liggghts_run

@@ -0,0 +1,95 @@
+################################################################################
+# brief: Bubbling fluidized bed - particles driven by air flow                 #
+#                                                                              #
+# Bubbling in a fluidized bed of Geldart D particles (d=1.2mm, rho=1000kg/m3)  #
+# Cf. Case B by Khawaja, H.A., J. Comput. Multiph. Flows 7(4), 227-240 (2015)  #
+#                                                                              #
+# authors: Daniel Queteschiner                                                 #
+# date: Oct 2021                                                               #
+# copyright: 2021- JKU Linz                                                    #
+################################################################################
+
+log             ../DEM/log.liggghts
+thermo_log      ../DEM/post/thermo.txt
+
+# define the attributes associated with the particles,
+# 'granular' (or 'sphere') style uses diameter, mass and angular velocity
+atom_style      granular
+
+# use an array to map particle IDs to local storage index,
+atom_modify     map array
+
+# set simulation domain to be fixed in x y z
+boundary        f f f
+
+# save communication by turning off Newton's 3rd law for pairwise interaction,
+# note: this setting only influences communication between procs, Newton's
+# 3rd law is still used for contact force calculations
+newton          off
+
+# use a single value for ghost particle cutoff distance and
+# enable velocity to be communicated with ghost particles
+communicate     single vel yes
+
+# set unit system to SI
+units           si
+
+# specify domain decomposition for parallel execution
+processors      2 1 2
+
+# read the restart file
+read_restart    ../DEM/post/restart/liggghts.restart
+
+# specify the skin distance for neighbor list generation
+neighbor        0.0003 bin
+neigh_modify    delay 0
+
+# define the material properties required for granular pair styles
+# type 1 = particles / walls with friction
+# type 2 = frictionless walls
+fix m1 all property/global youngsModulus peratomtype 1.2e8 1.2e8
+fix m2 all property/global poissonsRatio peratomtype 0.3 0.3
+fix m3 all property/global coefficientRestitution peratomtypepair 2 0.986 0.986 0.986 0.986
+fix m4 all property/global coefficientFriction peratomtypepair 2 0.1 0.0 0.0 0.0
+
+# specify contact model to use
+pair_style  gran model hertz tangential history
+pair_coeff  * *
+
+# set the time step
+timestep    0.0000025
+
+# apply gravity
+fix gravity all gravity 9.81 vector 0.0 0.0 -1.0
+
+# define walls
+fix xwall1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0000
+fix xwall2 all wall/gran model hertz tangential history primitive type 1 xplane 0.0432
+fix ywall1 all wall/gran model hertz tangential history primitive type 2 yplane 0.0000
+fix ywall2 all wall/gran model hertz tangential history primitive type 2 yplane 0.0100
+fix zwall1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0000
+
+# set up coupling to CFD simulation
+fix cfd  all couple/cfd couple_every 100 mpi
+fix cfd2 all couple/cfd/force/implicit
+
+# use constant NVE integration to update position, velocity and angular velocity
+fix         integr all nve/sphere
+
+# output settings, include kinetic energy
+thermo_style    custom step atoms ke
+
+# set frequency of output
+thermo          1000
+
+# ignore particles leaving the simulation domain,
+# do not normalize thermodynamic output values by the number of atoms
+thermo_modify   lost ignore norm no
+compute_modify  thermo_temp dynamic yes
+
+# output particle properties (same frequency as CFD output)
+dump dmp all custom/vtk 1200 ../DEM/post/liggghts_run_*.vtk id type x y z vx vy vz &
+     fx fy fz omegax omegay omegaz radius
+
+# run 1 time step to initialize all DEM systems
+run 1

tutorials/cfdemSolverPiso/bubblingFluidizedBed/DEMrun.sh

@@ -0,0 +1,26 @@
+#!/bin/bash
+#------------------------------------------------------------------------------
+# DEMrun script for bubbling fluidized bed test case
+# init bubblingFluidizedBed
+# Daniel Queteschiner - October 2021
+#------------------------------------------------------------------------------
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_PROJECT_DIR/etc/functions.sh
+
+#------------------------------------------------------------------------------
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath="$casePath"
+headerText="run_liggghts_init_DEM"
+logfileName="log_$headerText"
+solverName="in.liggghts_init"
+debugMode="off"
+#------------------------------------------------------------------------------
+
+#- call function to run DEM case
+DEMrun $logpath $logfileName $casePath $headerText $solverName $debugMode
+

tutorials/cfdemSolverPiso/bubblingFluidizedBed/README.md

@@ -0,0 +1,25 @@
+## Bubbling fluidized bed test case
+
+based on
+* Khawaja, H.A., J. Comput. Multiph. Flows 7(4), 227-240 (2015)
+* Khawaja, H.A. and Moatamedi, M., Multiphysics Modelling of Fluid-Particulate Systems, 51-74 (2020)
+
+#### Case B
+
+parameter | value
+----------|------
+box width | 0.0432 m
+box height | 0.1248 m
+box thickness | 0.01 m
+number of fluid cells | 12 x 26 x 1
+number of particles | 9240
+fluid density | 1.13 kg/m3
+DEM time step size | 2.5e-6 s
+particle diameter | 1.2 mm
+particle density | 1000 kg/m3
+Youngs modulus | 1.2e8 Pa
+Poisson ratio | 0.3
+coeff. of restitution | 0.986
+coeff. of friction | 0.1
+unfluidized bed height | 0.03 m
+bed expansion observed in experiment | 0.05 m

tutorials/cfdemSolverPiso/bubblingFluidizedBed/parCFDDEMrun.sh

@@ -0,0 +1,44 @@
+#!/bin/bash
+#------------------------------------------------------------------------------
+# parCFDDEMrun script for bubbling fluidized bed test case
+# run bubblingFluidizedBed CFD-DEM
+# Daniel Queteschiner - October 2021
+#------------------------------------------------------------------------------
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_PROJECT_DIR/etc/functions.sh
+
+#------------------------------------------------------------------------------
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath=$casePath
+headerText="run_parallel_cfdemSolverPiso_bubblingFluidizedBed_CFDDEM"
+logfileName="log_$headerText"
+solverName="cfdemSolverPiso"
+nrProcs="4"
+machineFileName="none"   # yourMachinefileName | none
+debugMode="off"          # on | off| strict
+runCleanUp="false"
+#------------------------------------------------------------------------------
+
+#- call function to run a parallel CFD-DEM case
+parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode
+
+if [ $runCleanUp == "true" ]
+    then
+        #- clean up case
+        echo "deleting data at: $casePath :\n"
+        source $WM_PROJECT_DIR/bin/tools/CleanFunctions
+        cd $casePath/CFD
+        cleanCase
+        rm $casePath/DEM/post/*.*
+        touch $casePath/DEM/post/.gitignore
+        rm $casePath/DEM/post/restart/*.*
+        touch $casePath/DEM/post/restart/.gitignore
+fi
+
+echo "done"
+

tutorials/cfdemSolverPiso/bubblingFluidizedBed/postrun.sh

@@ -0,0 +1,2 @@
+#!/bin/bash
+# nothing to see here

tutorials/cfdemSolverPiso/bubblingFluidizedBed/prerun.sh

@@ -0,0 +1,13 @@
+#!/bin/bash
+
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+
+# check if mesh was built
+if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then
+    echo "mesh was built before - using old mesh"
+else
+    echo "mesh needs to be built"
+    cd $casePath/CFD
+    blockMesh
+fi

tutorials/cfdemSolverPiso/bubblingFluidizedBed/run.config

@@ -0,0 +1,19 @@
+{
+  "type" : "CFDEMcoupling",
+  "runs" : [
+    {
+      "name" : "liggghts-init",
+      "input_script" : "DEM/in.liggghts_init",
+      "type" : "liggghts/serial"
+    },
+    {
+      "name" : "cfdemrun",
+      "depends_on" : "liggghts-init",
+      "solver" : "cfdemSolverPiso",
+      "type" : "CFDEMcoupling/mpi",
+      "nprocs" : 4,
+      "pre_scripts" : ["prerun.sh"],
+      "post_scripts" : ["postrun.sh"]
+    }
+  ]
+}