Merge branch 'master.dev' into improvement.2Daxi.circularinflow

piclas-framework · Apr 4, 2022 · bfc0198 · bfc0198
2 parents 319dc26 + 64ec753
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diff --git a/REGGIE.md b/REGGIE.md
@@ -92,7 +92,7 @@ Overview of the test cases performed during the nightly regression testing.
 |    4    |                   feature_TWT_recordpoints                   |                   maxwell,RK4                   |                                        RPs, ExactFlux                                        |     nProcs=1,4, RPs, interior TE-Inflow     |       RP_State, RP_Daata       |                                                                                                |
 |    5    |                 NIG_PIC_poisson_plasma_wave                  |                 poisson,RK4,CN                  | Poisson-PIC,Shape-Function-1D for normal, charge conserving and adaptive SF, auto initial LB |         nProcs=1,(2), (Imex for CN)         | W_el LineIntegration over 2Per |                                                                                                |
 |    6    |      NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean      |                   maxwell,RK3                   |                                 Maxwell-PIC,CVWM deposition                                  |                nProcs=1,5,10                |        Particle_ref.csv        |      [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean/readme.md)      |
-|    7    | NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM |                   maxwell,RK3                   |                       Maxwell-PIC,CVWM deposition + fallback algorithm                       |                nProcs=1,5,10                |        Particle_ref.csv        | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/readme.md) |
+|    7    | NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM |                   maxwell,RK3                   |             Maxwell-PIC, CVWM deposition + fallback algorithm + BGField (superB)             |                nProcs=1,5,10                |        Particle_ref.csv        | [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/readme.md) |
 |    8    |      NIG_PIC_Deposition/Plasma_Ball_Shape-function-xDir      |                   maxwell,RK3                   |      Maxwell-PIC,deposition shape_function, shape_function_cc, shape_function_adaptive       |                nProcs=1,5,10                | PartAnalyze.csv vs. reference  |      [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_Shape-function-xDir/readme.md)      |
 |    9    |      NIG_PIC_Deposition/Plasma_Ball_Shape-function-yDir      |                   maxwell,RK3                   |      Maxwell-PIC,deposition shape_function, shape_function_cc, shape_function_adaptive       |                nProcs=1,5,10                | PartAnalyze.csv vs. reference  |      [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_Shape-function-yDir/readme.md)      |
 |   10    |      NIG_PIC_Deposition/Plasma_Ball_Shape-function-zDir      |                   maxwell,RK3                   |      Maxwell-PIC,deposition shape_function, shape_function_cc, shape_function_adaptive       |                nProcs=1,5,10                | PartAnalyze.csv vs. reference  |      [Link](regressioncheck/NIG_PIC_Deposition/Plasma_Ball_Shape-function-zDir/readme.md)      |
@@ -253,17 +253,18 @@ Testing of different tracking routines with DSMC: [Link to build](regressionchec
 
 Testing of different SuperB examples (via piclas or standalone superB binary), which generate a 3D magnetic field distribution to be used in piclas: [Link to build](regressioncheck/NIG_SuperB/builds.ini).
 
-| r **No.** |          **Case**          |               **CMAKE-CONFIG**               |                                       **Feature**                                        |             **Execution**             |                          **Comparing**                           |                                   **Readme**                                    |
-| :-------: | :------------------------: | :------------------------------------------: | :--------------------------------------------------------------------------------------: | :-----------------------------------: | :--------------------------------------------------------------: | :-----------------------------------------------------------------------------: |
-|     1     |      LinearConductor       | PICLAS_BUILD_POSTI=ON, POSTI_BUILD_SUPERB=ON |                                 straight conducting line                                 | piclas, superB binaries (single-core) | convergence test with number of segments of the linear conductor |          [Link](regressioncheck/NIG_SuperB/LinearConductor/readme.md)           |
-|     2     |        CircularCoil        |                      -                       |                                   circular shaped coil                                   |                   -                   |                    reference solution h5diff                     |            [Link](regressioncheck/NIG_SuperB/CircularCoil/readme.md)            |
-|     3     | CircularCoilTimeDependent  |                      -                       |               circular shaped coil, time-dependent current (sin function)                |              nProcs=1,4               |                                -                                 | [Link](~/piclas/regressioncheck/NIG_SuperB/CircularCoilTimeDependent/readme.md) |
-|     4     |      RectangularCoil       |                      -                       |                                 rectangular shaped coil                                  |                   -                   |                    reference solution h5diff                     |          [Link](regressioncheck/NIG_SuperB/RectangularCoil/readme.md)           |
-|     5     |      SphericalMagnet       |                      -                       |                              spherically shaped hard magnet                              |                   -                   |  convergence test with number of nodes of the spherical magnet   |          [Link](regressioncheck/NIG_SuperB/SphericalMagnet/readme.md)           |
-|     6     |        CubicMagnet         |                      -                       |                                 cubic shaped hard magnet                                 |                   -                   |             magnetic field reference solution h5diff             |            [Link](regressioncheck/NIG_SuperB/CubicMagnet/readme.md)             |
-|     7     |     CylindricalMagnet      |                      -                       |                             cylindrically shaped hard magnet                             |                   -                   |             magnetic field reference solution h5diff             |         [Link](regressioncheck/NIG_SuperB/CylindricalMagnet/readme.md)          |
-|     8     |    HollowCylinderMagnet    |                      -                       |             hollow cylinder hard magnet, placed outside of simulation domain             |                   -                   |             magnetic field reference solution h5diff             |        [Link](regressioncheck/NIG_SuperB/HollowCylinderMagnet/readme.md)        |
-|     9     | HollowCylinderMagnetCurved |                      -                       | hollow cylinder hard magnet (analytic solution along z-axis available), curvilinear grid |                   -                   |             magnetic field reference solution h5diff             |     [Link](regressioncheck/NIG_SuperB/HollowCylinderMagnetCurved/readme.md)     |
+|   **No.** |            **Case**           |               **CMAKE-CONFIG**               |                                        **Feature**                                       |             **Execution**             |                           **Comparing**                          |                                      **Readme**                                      |
+| :-------: |   :------------------------:  | :------------------------------------------: | :--------------------------------------------------------------------------------------: | :-----------------------------------: | :--------------------------------------------------------------: | :----------------------------------------------------------------------------------: |
+|     1     |        LinearConductor        | PICLAS_BUILD_POSTI=ON, POSTI_BUILD_SUPERB=ON |                                 straight conducting line                                 | piclas, superB binaries (single-core) | convergence test with number of segments of the linear conductor |             [Link](regressioncheck/NIG_SuperB/LinearConductor/readme.md)             |
+|     2     |          CircularCoil         |                       -                      |                                   circular shaped coil                                   |                   -                   |                     reference solution h5diff                    |               [Link](regressioncheck/NIG_SuperB/CircularCoil/readme.md)              |
+|     3     |   CircularCoilTimeDependent   |                       -                      |                circular shaped coil, time-dependent current (sin function)               |               nProcs=1,4              |                                 -                                |    [Link](~/piclas/regressioncheck/NIG_SuperB/CircularCoilTimeDependent/readme.md)   |
+|     4     | CircularCoilTimeDependentMuli |                       -                      |            three  circular shaped coils, time-dependent current (sin function)           |               nProcs=1,4              |                                 -                                |  [Link](~/piclas/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMuli/readme.md) |
+|     5     |        RectangularCoil        |                       -                      |                                  rectangular shaped coil                                 |                   -                   |                     reference solution h5diff                    |             [Link](regressioncheck/NIG_SuperB/RectangularCoil/readme.md)             |
+|     6     |        SphericalMagnet        |                       -                      |                              spherically shaped hard magnet                              |                   -                   |   convergence test with number of nodes of the spherical magnet  |             [Link](regressioncheck/NIG_SuperB/SphericalMagnet/readme.md)             |
+|     7     |          CubicMagnet          |                       -                      |                                 cubic shaped hard magnet                                 |                   -                   |             magnetic field reference solution h5diff             |               [Link](regressioncheck/NIG_SuperB/CubicMagnet/readme.md)               |
+|     8     |       CylindricalMagnet       |                       -                      |                             cylindrically shaped hard magnet                             |                   -                   |             magnetic field reference solution h5diff             |            [Link](regressioncheck/NIG_SuperB/CylindricalMagnet/readme.md)            |
+|     9     |      HollowCylinderMagnet     |                       -                      |             hollow cylinder hard magnet, placed outside of simulation domain             |                   -                   |             magnetic field reference solution h5diff             |           [Link](regressioncheck/NIG_SuperB/HollowCylinderMagnet/readme.md)          |
+|     10    |   HollowCylinderMagnetCurved  |                       -                      | hollow cylinder hard magnet (analytic solution along z-axis available), curvilinear grid |                   -                   |             magnetic field reference solution h5diff             |        [Link](regressioncheck/NIG_SuperB/HollowCylinderMagnetCurved/readme.md)       |
 
 ### NIG_PIC_poisson_Leapfrog
 

diff --git a/docs/documentation/references.bib b/docs/documentation/references.bib
@@ -8,6 +8,12 @@ @article{Bui2012
 volume = {50},
 year = {2012}
 }
+@article{mathiaud2022bgk,
+  title={An ES-BGK model for diatomic gases with correct relaxation rates for internal energies},
+  author={Mathiaud, Julien and Mieussens, Luc and Pfeiffer, Marcel},
+  journal={arXiv preprint arXiv:2202.10906},
+  year={2022}
+}
 
 @article{Gorji2014,
 author = {Gorji, M. Hossein and Jenny, Patrick},

diff --git a/docs/documentation/userguide/features-and-models/DSMC.md b/docs/documentation/userguide/features-and-models/DSMC.md
@@ -252,9 +252,9 @@ using an instantaneous translational cell temperature.
 (sec:DSMC-electronic-relaxation)=
 ### Electronic Relaxation
 
-For the modelling of electronic relaxation, two models are available: the model by Liechty et al. {cite}`Liechty2011a`, where each
+For the modelling of electronic relaxation, three models are available: the model by Liechty et al. {cite}`Liechty2011a` and a BGK Landau-Teller like model {cite}`Pfeiffer2018b`,{cite}``Pfeiffer2018b``', where each
 particle has a specific electronic state and the model by Burt and Eswar {cite}`Burt2015b`, where each particle has an electronic
-distribution function attached. Both models utilize tabulated energy levels, which can be found in literature for a wide range of
+distribution function attached. The three models utilize tabulated energy levels, which can be found in literature for a wide range of
 species (e.g. for monatomic {cite}`NISTASD`, diatomic {cite}`Huber1979`, polyatomic {cite}`Herzberg1966` molecules). An example
 database `DSMCSpecies_electronic_state_full_Data.h5` can be found in e.g.
 `piclas/regressioncheck/NIG_Reservoir/CHEM_EQUI_TCE_Air_5Spec`, where the energy levels are stored in containers and
@@ -265,6 +265,7 @@ required
     Particles-DSMC-ElectronicModel  = 0     ! No electronic energy is considered (default)
                                     = 1     ! Model by Liechty
                                     = 2     ! Model by Burt
+                                    = 4     ! BGK Landau-Teller like model
     Particles-DSMCElectronicDatabase = DSMCSpecies_electronic_state_full_Data.h5
 
 In case of a large number of electronic levels, their number can be reduced by providing a relative merge tolerance.

diff --git a/docs/documentation/userguide/features-and-models/magnetic-background-field.md b/docs/documentation/userguide/features-and-models/magnetic-background-field.md
@@ -185,9 +185,9 @@ It should be noted that the base point defines the start of the first segment as
 cross-sections, where it is the middle point of the cross-section.
 
 ### Time-dependent Magnetic Coils
-A time-dependent magnet field can be created by a time-varying electric current running through a coil.
-Note that more than one time-dependent magnetic coil cannot be defined in the parameter file as this is not implemented yet.
-However, one time-dependent coil can be combined with an arbitrary number of permanent magnets and coils (with a constant current).
+A time-dependent magnetic field can be created by a time-varying electric current running through a coil.
+Time-dependent coils can be combined with an arbitrary number of permanent magnets and coils (with a constant current).
+Currently, all time-dependent coils must use the same frequency but can have different phases.
 The time-dependent settings are required in addition to the ones used for a standard coil
 
     Coil1-TimeDepCoil      = T

diff --git a/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini b/regressioncheck/NIG_DSMC/RotPeriodicBC/parameter.ini
@@ -27,6 +27,7 @@ CalcPorousBCInfo = T
 WriteErrorFiles  = F
 CalcHaloInfo     = T
 CalcMeshInfo     = T
+CheckExchangeProcs = T
 !Particles-DSMC-CalcQualityFactors=T
 ! =============================================================================== !
 ! CALCULATION

diff --git a/...essioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/command_line.ini b/...essioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/command_line.ini
@@ -1 +1,2 @@
+! Only 2 elements, therefore max. 2 cores
 MPI          = 1,2
diff --git a/regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/parameter.ini b/regressioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/parameter.ini
@@ -136,3 +136,20 @@ PIC-OutputSource         = T
 
 CalcHaloInfo = T
 CalcMeshInfo = T
+
+! =============================================================================== !
+! SuperB
+! =============================================================================== !
+PIC-BG-Field = T
+
+PIC-CalcBField-OutputVTK = T
+
+NumOfCoils          = 1
+Coil1-Type          = circle
+Coil1-BasePoint     = (/0.0,0.0,-0.5/)
+Coil1-LengthVector  = (/0.,0.,1.0/)
+Coil1-Current       = 1.e-6
+Coil1-Radius        = 1.9
+Coil1-LoopNum       = 10
+Coil1-PointsPerLoop = 20
+Coil1-AxisVec1      = (/0.,0.,1.0/)
diff --git a/...ioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/readme.md b/...ioncheck/NIG_PIC_Deposition/Plasma_Ball_cell_volweight_mean_save_CVWM/readme.md
@@ -9,3 +9,4 @@ because one element interface is strongly deformed
   - this feature is useful if the Jacobians are determined good enough with N and the integration error is then reduced using a much
   higher NAnalyze (in this case the Jacobians are bad from the beginning, which is why the calculation of the error does not improve
   much)
+- also considers superB magnetic field to test functionality of CVWM fallback in combination with B-field
diff --git a/regressioncheck/NIG_Reservoir/RELAX_N2/parameter.ini b/regressioncheck/NIG_Reservoir/RELAX_N2/parameter.ini
@@ -51,7 +51,7 @@ Particles-DSMCReservoirStatistic = F
 
 Particles-DSMC-CollisMode        = 2 !(0: No Collisions (0:free molecular flow with DSMC-Sampling-Routines, 1:elast coll, 2: elast + rela, 3:chem)
 
-Particles-DSMC-ElectronicModel   = 1,2
+Particles-DSMC-ElectronicModel   = 1,2,4
 Particles-DSMCElectronicDatabase = DSMCSpecies_electronic_state_full_Data.h5 ! when supplied: doQK = true
 EpsMergeElectronicState          = 0, 1.e-2 ! merge electronic energy levels when difference falls below eps
 

diff --git a/regressioncheck/NIG_Reservoir/RELAX_N2/readme.md b/regressioncheck/NIG_Reservoir/RELAX_N2/readme.md
@@ -1,6 +1,7 @@
 # N2 Reservoir Relaxation
 * Test relaxation of N2 from a thermal non-equilibrium to equilibrium (rotational, vibrational, electronic)
-* Testing two different models
+* Testing three different models
   * Liechty: Each simulation particle has a single energy level
   * Burt: Each simulation particle carries an electronic energy distribution functions
-* T_t = 50000K, T_r = 1000K, T_v = 15000K, T_e = 200000K
+  * BGK-LT: Each simulation particle has a single energy level, relaxation with BGK type equation
+* T_t = 50000K, T_r = 1000K, T_v = 15000K, T_e = 200000K
diff --git a/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/analyze.ini b/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/analyze.ini
@@ -0,0 +1,6 @@
+! hdf5 diff
+!h5diff_file            = SuperB_CircularCoil_BGField.h5
+!h5diff_reference_file  = SuperB_CircularCoil_BGField_reference.h5
+!5diff_data_set        = DG_Solution\sBGField ! data set name in h5diff_file and h5diff_reference_file
+!h5diff_tolerance_value = 1.0e-5
+!h5diff_tolerance_type  = relative
diff --git a/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/command_line.ini b/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/command_line.ini
@@ -0,0 +1 @@
+MPI=1,4
diff --git a/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/cube_mesh.h5 b/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/cube_mesh.h5
diff --git a/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/hopr.ini b/regressioncheck/NIG_SuperB/CircularCoilTimeDependentMulti/hopr.ini
@@ -0,0 +1,38 @@
+!=========================================================================================================================== 
+DEFVAR = (REAL):   minus_x = 0.0
+DEFVAR = (REAL):   plus_x = 1.0
+
+DEFVAR = (REAL):   minus_y = 0.0
+DEFVAR = (REAL):   plus_y = 1.0
+
+DEFVAR = (REAL):   minus_z = 0.0
+DEFVAR = (REAL):   plus_z = 1.0
+!=========================================================================================================================== 
+ProjectName            = cube
+Debugvisu              = T
+DebugVisuLevel         = 2
+NVisu                  = 1
+Mode                   = 1
+
+Corner                 = (/minus_x,minus_y,minus_z ,, plus_x,minus_y,minus_z ,, plus_x,plus_y,minus_z ,, minus_x,plus_y,minus_z ,, minus_x,minus_y,plus_z ,, plus_x,minus_y,plus_z ,, plus_x,plus_y,plus_z ,, minus_x,plus_y,plus_z /)
+nElems                 = (/3,3,3/)
+elemtype               = 108
+
+BCIndex                = (/6 ,4 ,1 ,3 ,2 ,5/)
+!                      = (/z-,y-,x+,y+,x-,z+/)
+nZones                 = 1
+
+! BCs
+nUserDefinedBoundaries = 6
+BoundaryName = BC_Xplus
+BoundaryType = (/4,0,0,0/)
+BoundaryName = BC_Xminus
+BoundaryType = (/4,0,0,0/)
+BoundaryName = BC_Yplus
+BoundaryType = (/4,0,0,0/)
+BoundaryName = BC_Yminus
+BoundaryType = (/4,0,0,0/)
+BoundaryName = BC_Zplus
+BoundaryType = (/4,0,0,0/)
+BoundaryName = BC_Zminus
+BoundaryType = (/4,0,0,0/)
Original file line number	Diff line number	Diff line change
		@@ -1 +1,2 @@
		! Only 2 elements, therefore max. 2 cores
		MPI = 1,2