Merge branch 'feature.hdg.floating.bc' into 'master.dev'

[feature.hdg.floating.bc] Floating Boundary Condition for the HDG solver

See merge request piclas/piclas!782

REGGIE.md

@@ -384,13 +384,15 @@ Pure Poisson solver without particles: [Link to build](regressioncheck/NIG_poiss
 
 Pure Poisson solver without particles: [Link to build](regressioncheck/NIG_poisson_PETSC/builds.ini).
 
-| **No.** |        **Case**       | **CMAKE-CONFIG** |                                                  **Feature**                                                  |  **Execution** |                                          **Comparing**                                         |                                 **Readme**                                |
-| :-----: | :-------------------: | :--------------: |      :--------------------------------------------------------------------------------------------------:     | :------------: | :--------------------------------------------------------------------------------------------: | :-----------------------------------------------------------------------: |
-|    1    |  CHE_poisson/poisson  |    Poisson,RK3   |      HDG-Operator, secondary electron emission (SEE-I model, does not happen because ions are too slow),      | nProcs=1,2,5,8 |                                             L2,Linf                                            |        [Link](/regressioncheck/NIG_poisson_PETSC/poisson/readme.md)       |
-|         |                       |                  | hard compiled N=1, CalcBoundaryParticleOutput=T,CalcElectricTimeDerivative=T (electric displacement current), |                |                                                                                                |                                                                           |
-|         |                       |                  |               UseH5IOLoadBalance=T,F, PETSC with PrecondType=1,2,3,10 (4 and 11 currently fail)               |                |                                                                                                |                                                                           |
-|         |                       |                  |                                                                                                               |                |                                                                                                |                                                                           |
-|    2    | poisson_box_Dirichlet |                  |                                           restart of lambda solution                                          |   nProcs=1-13  | number of HDG iterations, which should be 0 on restart as the already correct solution is used | [Link](regressioncheck/NIG_poisson_PETSC/poisson_box_Dirichlet/readme.md) |
+| **No.** |                  **Case**                  | **CMAKE-CONFIG** |                                                  **Feature**                                                  |       **Execution**      |                                             **Comparing**                                             |                                            **Readme**                                           |
+| :-----: |  :---------------------------------------: | :--------------: |      :--------------------------------------------------------------------------------------------------:     |      :------------:      |     :--------------------------------------------------------------------------------------------:    |            :-----------------------------------------------------------------------:            |
+|    1    |    floating_boundary_condition_multi_FPC   |    Poisson,RK3   |         HDG-Operator in PETSc with floating boundary condition (FPC) + feature of using multiple FPCs         | nProcs=1,2,3,4,5,7,10,12 |                                            FieldAnalyze.csv                                           |    [Link](/regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/readme.md)   |
+|    2    | ifloating_boundary_condition_p-convergence |         -        |        HDG-Operator in PETSc with floating boundary condition (FPC) + analytical solution coaxial cable       |      nProcs=1,2,5,16     | FieldAnalyze.csv + p-convergence test (L2 error converges to zero for increasing polynomial degree N) | [Link](/regressioncheck/NIG_poisson_PETSC/ifloating_boundary_condition_p-convergence/readme.md) |
+|    3    |                   poisson                  |         -        |      HDG-Operator, secondary electron emission (SEE-I model, does not happen because ions are too slow),      |      nProcs=1,2,5,8      |                                                L2,Linf                                                |                   [Link](/regressioncheck/NIG_poisson_PETSC/poisson/readme.md)                  |
+|         |                                            |                  | hard compiled N=1, CalcBoundaryParticleOutput=T,CalcElectricTimeDerivative=T (electric displacement current), |                          |                                                                                                       |                                                                                                 |
+|         |                                            |                  |               UseH5IOLoadBalance=T,F, PETSC with PrecondType=1,2,3,10 (4 and 11 currently fail)               |                          |                                                                                                       |                                                                                                 |
+|         |                                            |                  |                                                                                                               |                          |                                                                                                       |                                                                                                 |
+|    4    |            poisson_box_Dirichlet           |         -        |                                           restart of lambda solution                                          |        nProcs=1-13       |     number of HDG iterations, which should be 0 on restart as the already correct solution is used    |            [Link](regressioncheck/NIG_poisson_PETSC/poisson_box_Dirichlet/readme.md)            |
 
 ### NIG_Photoionization
 

docs/documentation/userguide/features-and-models/BC-field-solver.md

@@ -91,6 +91,7 @@ as detailed in the following table.
 |              |           |                                                                                                                            |
 |   (/10,0/)   |  Neumann  | zero-gradient (dPhi/dn=0)                                                                                                  |
 |   (/11,0/)   |  Neumann  | q*n=1                                                                                                                      |
+|   (/20,1/)   |    FPC    | 1: Assign BC to FPC group nbr. 1 (different BCs can be assigned the same FPC), see {ref}`sec:floating-boundary-condition`  |
 
 ### RefState boundaries {-}
 
@@ -154,6 +155,23 @@ following example
     LinPhiHeight    = 1.0              ! 2nd LinState
     LinPhi          = 0.0              ! 2nd LinState
 
+(sec:floating-boundary-condition)=
+### Floating boundary condition (FPC)
+A floating boundary condition (FPC) can be used to model a perfect electric conducting surface. The surface can carry a charge $Q$,
+which might change over time. however, the requirement is that the surface yields a closed surface integral in 3D (or 2D with
+periodic/symmetric boundaries in the 3rd dimension). One or more FPCs can be set via
+
+    BoundaryName = BC_FPC_1 ! BC name in the mesh.h5 file
+    BoundaryType = (/20,1/) ! 20: activate FPC, 1: Index of the FPC group to which this BC belongs (1st group)
+
+    BoundaryName = BC_FPC_2 ! BC name in the mesh.h5 file
+    BoundaryType = (/20,2/) ! 20: activate FPC, 2: Index of the FPC group to which this BC belongs (2nd group)
+
+For this boundary condition, the charge assigned to each FPC and the resulting potential are written to *FieldAnalyze.csv*
+automatically, e.g., "007-FPC-Charge-BCState-001","008-FPC-Voltage-BCState-001", where *BCState* corresponds to the ID of the FPC.
+If the particle boundary condition is set to *open* (or *species-swap*), then each impacting charged particle that is removed there,
+will be added to the accumulated charge on that FPC.
+
 (sec:fixed-coupled-power)=
 ### Fixed coupled power (const. input power)
 

regressioncheck/NIG_poisson_PETSC/builds.ini

@@ -2,7 +2,7 @@
 binary=./bin/piclas
 
 ! fixed compiler flags
-CMAKE_BUILD_TYPE         = DEBUG
+CMAKE_BUILD_TYPE         = Release,Debug
 LIBS_BUILD_HDF5          = OFF
 PICLAS_EQNSYSNAME        = poisson
 PICLAS_TIMEDISCMETHOD    = RK3

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/FieldAnalyze_ref.csv

@@ -0,0 +1,2 @@
+"001-time","002-E-El","003-HDG-#iterations","004-HDG-RunTime","005-HDG-RunTimePerIteration","006-HDG-Norm","007-FPC-Charge-BCState-001","008-FPC-Voltage-BCState-001","009-FPC-Charge-BCState-002","010-FPC-Voltage-BCState-002"
+0.1000000000000000E-009,0.3127506087087529E+012,0.2000000000000000E+001,0.1911449000000065E-002,0.9557245000000325E-003,0.3987716128529526E-006,0.5000000000000000E+001,0.2547103581523394E+011,0.1000000000000000E+002,0.4986308056035036E+011

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/analyze.ini

@@ -0,0 +1,14 @@
+! integrate columns x:y in a data file as integral(y(x), x, x(1), x(end))
+integrate_line_file            = FieldAnalyze.csv      ! data file name
+integrate_line_columns         = 0:6                   ! columns x:y [time:nPart_in]
+integrate_line_integral_value  = 5.0                   ! Integrated accumulated charge of FPC
+integrate_line_tolerance_value = 1e-10                 ! tolerance
+integrate_line_tolerance_type  = relative              ! special option
+integrate_line_option          = DivideByTimeStep      ! the first column in Database.csv is used for this option
+integrate_line_multiplier      = 2.0                   ! this yiels the charge 5.0 on the 1st FPC
+
+! Compare last line in .csv file
+compare_data_file_name            = FieldAnalyze.csv
+compare_data_file_reference       = FieldAnalyze_ref.csv
+compare_data_file_tolerance       = 1e3      ! Ignore small values, the acutally tested values are > 1e10
+compare_data_file_tolerance_type  = absolute ! Ignore HDG solver info: "003-HDG-#iterations", "004-HDG-RunTime", "005-HDG-RunTimePerIteration", "006-HDG-Norm"

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/command_line.ini

@@ -0,0 +1,2 @@
+MPI=1,2,3,4,5,7,10,12
+!restart_file = plasma_wave_State_000.00000000000000000.h5

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/excludeBuild.ini

@@ -0,0 +1,3 @@
+! poisson
+PICLAS_PARTICLES=OFF!ON is currently not possible due to load balance restart that requires ElemInfo_Shared, which is not available for PARTICLES=OFF at the moment
+PICLAS_POLYNOMIAL_DEGREE=1

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/externals.ini

@@ -0,0 +1,8 @@
+! --- Externals Tool Reggie
+MPI               = 1                     , 5
+externalbinary    = ./hopr/build/bin/hopr , ./bin/piclas
+externaldirectory = pre-hopr              , post-piclas-restart/
+externalruntime   = pre                   , post
+cmd_suffix        =                       , ../FPC_State_000.00000000010000000.h5
+
+nocrosscombination:MPI,externalbinary,externaldirectory,externalruntime,cmd_suffix

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/parameter.ini

@@ -0,0 +1,119 @@
+NVisu = 7
+N     = 6!,2,3,4 ! 7
+! =============================================================================== !
+! HDG
+! =============================================================================== !
+epsCG     = 1e-6!1e-66
+maxIterCG = 12000
+! =============================================================================== !
+! Mesh
+! =============================================================================== !
+MeshFile     = ./pre-hopr/Box_mesh.h5
+useCurveds   = F
+ExactLambda  = T
+IniExactFunc = 600
+! =============================================================================== !
+! OUTPUT / VISUALIZATION
+! =============================================================================== !
+ProjectName      = FPC
+Logging          = F
+WriteErrorFiles  = F
+printRandomSeeds = F
+DoCalcErrorNorms = F
+OutputErrorNormsToH5 = F
+! =============================================================================== !
+! ANALYZE
+! =============================================================================== !
+CalcPotentialEnergy = T
+! =============================================================================== !
+! CALCULATION
+! =============================================================================== !
+Field-AnalyzeStep = 2
+ManualTimestep = 5e-11
+tend           = 10e-11 ! 100e-11
+Analyze_dt     = 10e-11 ! 100e-11
+doPrintStatusLine = T
+! =============================================================================== !
+! Field Boundaries
+! =============================================================================== !
+BoundaryName = BC_Cube_left
+BoundaryType = (/20,1/) ! 20: activate FPC, 2: Group #1
+
+BoundaryName = BC_Cube_right
+BoundaryType = (/20,2/) ! 20: activate FPC, 2: Group #2
+
+! =============================================================================== !
+! Load Balance
+! =============================================================================== !
+DoLoadBalance            = T
+DoInitialAutoRestart     = T
+Load-DeviationThreshold  = 1e-7
+LoadBalanceMaxSteps      = 1
+
+! =============================================================================== !
+! Particles
+! =============================================================================== !
+PIC-DoDeposition                  = F
+PIC-DoInterpolation               = F
+VisuParticles                     = T
+TrackingMethod                    = 3
+Particles-HaloEpsVelo             = 300E6
+Part-maxParticleNumber            = 20000
+Part-nSpecies                     = 1
+Part-Species$-MacroParticleFactor = 1
+
+!Part-FIBGMdeltas  = (/ 0.04 , 0.04 , 1e-6 /)
+Part-FIBGMdeltas  = (/ 16.0 , 8.0 , 8.0 /)
+Part-FactorFIBGM  = (/  2.0 , 1.0 , 1.0  /)
+
+CalcNumSpec = T
+CalcMeshInfo = T
+! =============================================================================== !
+! Particle Boundaries
+! =============================================================================== !
+Part-nBounds              = 8
+
+Part-Boundary1-SourceName = BC_z-
+Part-Boundary1-Condition  = reflective
+
+Part-Boundary2-SourceName = BC_z+
+Part-Boundary2-Condition  = reflective
+
+!Part-nPeriodicVectors = 1
+
+Part-Boundary3-SourceName = BC_y-
+Part-Boundary3-Condition  = reflective
+
+Part-Boundary4-SourceName = BC_y+
+Part-Boundary4-Condition  = reflective
+
+
+Part-Boundary5-SourceName = BC_x-
+Part-Boundary5-Condition  = reflective
+
+Part-Boundary6-SourceName = BC_x+
+Part-Boundary6-Condition  = reflective
+
+
+Part-Boundary7-SourceName = BC_Cube_left
+Part-Boundary7-Condition  = open
+
+Part-Boundary8-SourceName = BC_Cube_right
+Part-Boundary8-Condition  = open
+
+
+! =============================================================================== !
+! Species1 | e
+! =============================================================================== !
+Part-Species1-MassIC                 = 9.1E-31
+Part-Species1-ChargeIC               = -4.806529902E-13
+!Part-Species1-ChargeIC               = 0
+!nocrosscombination:N,Part-Species1-ChargeIC
+
+Part-Species1-nInits=1
+Part-Species1-Init1-velocityDistribution   = maxwell_lpn
+Part-Species1-Init1-PartDensity            = 1.01e-6 ! 1.01e12
+Part-Species1-Init1-SpaceIC                = cell_local
+Part-Species1-Init1-VeloIC                 = 2.2e8
+Part-Species1-Init1-VeloVecIC              = (/0.,1.,0./)
+Part-Species1-Init1-MWTemperatureIC        = 1e3

regressioncheck/NIG_poisson_PETSC/floating_boundary_condition_multi_FPC/post-piclas-restart/parameter.ini

@@ -0,0 +1,119 @@
+NVisu = 7
+N     = 6!,2,3,4 ! 7
+! =============================================================================== !
+! HDG
+! =============================================================================== !
+epsCG     = 1e-6!1e-66
+maxIterCG = 12000
+! =============================================================================== !
+! Mesh
+! =============================================================================== !
+MeshFile     = ../pre-hopr/Box_mesh.h5
+useCurveds   = F
+ExactLambda  = T
+IniExactFunc = 600
+! =============================================================================== !
+! OUTPUT / VISUALIZATION
+! =============================================================================== !
+ProjectName      = FPC
+Logging          = F
+WriteErrorFiles  = F
+printRandomSeeds = F
+DoCalcErrorNorms = F
+OutputErrorNormsToH5 = F
+! =============================================================================== !
+! ANALYZE
+! =============================================================================== !
+CalcPotentialEnergy = T
+! =============================================================================== !
+! CALCULATION
+! =============================================================================== !
+Field-AnalyzeStep = 2
+ManualTimestep = 5e-11
+tend           = 20e-11 ! 100e-11
+Analyze_dt     = 10e-11 ! 100e-11
+doPrintStatusLine = T
+! =============================================================================== !
+! Field Boundaries
+! =============================================================================== !
+BoundaryName = BC_Cube_left
+BoundaryType = (/20,1/) ! 20: activate FPC, 2: Group #1
+
+BoundaryName = BC_Cube_right
+BoundaryType = (/20,2/) ! 20: activate FPC, 2: Group #2
+
+! =============================================================================== !
+! Load Balance
+! =============================================================================== !
+DoLoadBalance            = T
+DoInitialAutoRestart     = T
+Load-DeviationThreshold  = 1e-7
+LoadBalanceMaxSteps      = 1
+
+! =============================================================================== !
+! Particles
+! =============================================================================== !
+PIC-DoDeposition                  = F
+PIC-DoInterpolation               = F
+VisuParticles                     = T
+TrackingMethod                    = 3
+Particles-HaloEpsVelo             = 300E6
+Part-maxParticleNumber            = 20000
+Part-nSpecies                     = 1
+Part-Species$-MacroParticleFactor = 1
+
+!Part-FIBGMdeltas  = (/ 0.04 , 0.04 , 1e-6 /)
+Part-FIBGMdeltas  = (/ 16.0 , 8.0 , 8.0 /)
+Part-FactorFIBGM  = (/  2.0 , 1.0 , 1.0  /)
+
+CalcNumSpec = T
+CalcMeshInfo = T
+! =============================================================================== !
+! Particle Boundaries
+! =============================================================================== !
+Part-nBounds              = 8
+
+Part-Boundary1-SourceName = BC_z-
+Part-Boundary1-Condition  = reflective
+
+Part-Boundary2-SourceName = BC_z+
+Part-Boundary2-Condition  = reflective
+
+!Part-nPeriodicVectors = 1
+
+Part-Boundary3-SourceName = BC_y-
+Part-Boundary3-Condition  = reflective
+
+Part-Boundary4-SourceName = BC_y+
+Part-Boundary4-Condition  = reflective
+
+
+Part-Boundary5-SourceName = BC_x-
+Part-Boundary5-Condition  = reflective
+
+Part-Boundary6-SourceName = BC_x+
+Part-Boundary6-Condition  = reflective
+
+
+Part-Boundary7-SourceName = BC_Cube_left
+Part-Boundary7-Condition  = open
+
+Part-Boundary8-SourceName = BC_Cube_right
+Part-Boundary8-Condition  = open
+
+
+! =============================================================================== !
+! Species1 | e
+! =============================================================================== !
+Part-Species1-MassIC                 = 9.1E-31
+Part-Species1-ChargeIC               = -4.806529902E-13
+!Part-Species1-ChargeIC               = 0
+!nocrosscombination:N,Part-Species1-ChargeIC
+
+Part-Species1-nInits=1
+Part-Species1-Init1-velocityDistribution   = maxwell_lpn
+Part-Species1-Init1-PartDensity            = 1.01e-6 ! 1.01e12
+Part-Species1-Init1-SpaceIC                = cell_local
+Part-Species1-Init1-VeloIC                 = 2.2e8
+Part-Species1-Init1-VeloVecIC              = (/0.,1.,0./)
+Part-Species1-Init1-MWTemperatureIC        = 1e3