[ThermalDEM] Heat generation features

applications/ThermalDEMApplication/CMakeLists.txt

@@ -69,8 +69,11 @@ set( KRATOS_THERMAL_DEM_APPLICATION_CORE_SOURCES
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/radiation/radiation_continuum_zhou.cpp
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_model.cpp
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_lu.cpp
-    ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_morris.cpp
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_zhou.cpp
+    ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_morris_area.cpp
+    ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_morris_area_time.cpp
+    ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_rangel_area.cpp
+    ${CMAKE_CURRENT_SOURCE_DIR}/custom_constitutive/real_contact/real_contact_rangel_area_time.cpp
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_elements/thermal_spheric_particle.cpp
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_elements/thermal_spheric_continuum_particle.cpp
     ${CMAKE_CURRENT_SOURCE_DIR}/custom_elements/sintering_spheric_continuum_particle.cpp

applications/ThermalDEMApplication/README.md

@@ -2,14 +2,14 @@
 
 This application is an extension of the [DEM Application](https://github.com/KratosMultiphysics/Kratos/tree/master/applications/DEMApplication) to include **thermal effects** such as:
 
-- Heat transfer between particle-particle, particle-rigid wall, and particle-surrounding fluid.
+- Heat transfer between particle-particle, particle-wall, and particle-surrounding fluid.
 - Heat transfer mechanisms by conduction, convection, and radiation.
 - Heat generation by energy dissipation and internal sources.
 - Temperature dependent material properties.
 
-Theoretical information on thermal DEM analysis can be found [here](./ThermalDEMTheory.pdf).
+Theoretical information on thermal DEM analysis can be found [here](https://doi.org/10.5281/zenodo.13846126).
 
-A [Matlab version](https://gitlab.com/rafaelrangel/demlab) of this application is also available.
+A [Matlab version](https://github.com/rlrangel/DEMLab) of this application is also available.
 
 ## Table of Contents
 - [Authorship](#authorship)
@@ -124,17 +124,20 @@ Add **thermal settings** with desired options:
 
 Add **post options** with desired options:
 
-	"PostTemperature"                : true or false,
-	"PostHeatFlux"                   : true or false,
-	"PostGraphParticleTempMin"       : true or false,
-	"PostGraphParticleTempMax"       : true or false,
-	"PostGraphParticleTempAvg"       : true or false,
-	"PostGraphParticleTempDev"       : true or false,
-	"PostGraphModelTempAvg"          : true or false,
-	"PostGraphHeatFluxContributions" : true or false,
-	"PostGraphHeatGenContributions"  : true or false,
-	"PostGraphEnergyContributions"   : true or false,
-	"PostMapHeatGeneration"          : true or false
+	"PostTemperature"                      : true or false,
+	"PostHeatFlux"                         : true or false,
+	"PostGraphParticleTempMin"             : true or false,
+	"PostGraphParticleTempMax"             : true or false,
+	"PostGraphParticleTempAvg"             : true or false,
+	"PostGraphParticleTempAvgVol"          : true or false,
+	"PostGraphParticleTempDev"             : true or false,
+	"PostGraphMechanicalEnergy"            : true or false,
+	"PostGraphDissipatedEnergy"            : true or false,
+	"PostGraphThermalEnergy"               : true or false,
+	"PostGraphHeatFluxContributions"       : true or false,
+	"PostGraphHeatGenerationValues"        : true or false,
+	"PostGraphHeatGenerationContributions" : true or false,
+	"PostHeatMapGeneration"                : true or false
 
 ### Materials (json file)
 
@@ -209,35 +212,35 @@ Add **SubModelPartData** to sub model parts with desired options:
 - *"thermal_integration_scheme"*:\
   Selected scheme for time integration of thermal problem.\
   Default: "forward_euler"
-  
+
 - *"numerical_integration_method"*:\
   Selected metohd for solving integration expressions numerically.\
   Default: "adaptive_simpson"
-  
+
 - *"thermal_solve_frequency"*:\
   Number of steps in which thermal problem is solved.\
   Default: 1
-  
+
 - *"voronoi_tesselation_frequency"*:\
   Number of steps in which Voronoi diagram is built, in case it is required.\
   Default: 1000
-  
+
 - *"porosity_update_frequency"*:\
   Number of steps in which porosity is computed, in case it is required.\
   Default: 1000
 
 - *"automatic_solve_frequency"*:\
   Boolean for automatically setting the thermal solve frequency based on the maximum allowed time step (it overrides the value set for thermal_solve_frequency).\
   Default: false
-  
+
 - *"compute_motion"*:\
   Boolean for solving mechanical problem.\
   Default: true
 
 - *"compute_direct_conduction"*:\
   Boolean for computing heat transfer between elements by direct conduction.\
   Default: true
-  
+
 - *"compute_indirect_conduction"*:\
   Boolean for computing heat transfer between elements by indirect conduction.\
   Default: false
@@ -277,7 +280,7 @@ Add **SubModelPartData** to sub model parts with desired options:
 - *"heat_generation_model"*:\
   List of selected models for simulating heat generation by energy dissipation.\
   Default: ["sliding_friction"]
-  
+
 - *"adjusted_contact_model"*:\
   Selected model for adjusting contact geometry.\
   Default: "zhou"
@@ -301,7 +304,7 @@ Add **SubModelPartData** to sub model parts with desired options:
 - *"conduction_radius"*:\
   Radius of cylindrical conductive region (ratio of particles radii) required for conduction model "batchelor_obrien_complete" and "batchelor_obrien_modified".\
   Default: 1.0
-  
+
 - *"fluid_layer_thickness"*:\
   Thickness of particle fluid layer (ratio of particles radii) required for conduction model "surrounding_layer".\
   Default: 0.4
@@ -337,7 +340,7 @@ Add **SubModelPartData** to sub model parts with desired options:
 - *"heat_map_subdivisions"*:\
   Number of subdivisions in X,Y,Z directions to defined the grid of the heat map.\
   Default: [10,10,10]
-  
+
 - *"global_fluid_properties"*:\
   Prescribed values for the properties of the interstitial fluid, assumed as constant throughout all the analysis (fluid behavior does not change as it is not simulated).
 
@@ -377,47 +380,59 @@ Add **SubModelPartData** to sub model parts with desired options:
 - *"PostTemperature"*:\
   Boolean for showing elements temperature in post processing.\
   Default: false
-  
+
 - *"PostHeatFlux"*:\
   Boolean for showing elements heat flux in post processing.\
   Default: false
-  
+
 - *"PostGraphParticleTempMin"*:\
   Boolean for writing a graph with the minimum particle temperature.\
   Default: false
-  
+
 - *"PostGraphParticleTempMax"*:\
   Boolean for writing a graph with the maximum particle temperature.\
   Default: false
-  
+
 - *"PostGraphParticleTempAvg"*:\
   Boolean for writing a graph with the average temperature of all particles.\
   Default: false
-
+
+- *"PostGraphParticleTempAvgVol"*:\
+  Boolean for writing a graph with the volume-weighted average temperature of all particles.\
+  Default: false
+
 - *"PostGraphParticleTempDev"*:\
   Boolean for writing a graph with the standard deviation of the temperature of all particles.\
   Default: false
-  
-- *"PostGraphModelTempAvg"*:\
-  Boolean for writing a graph with the weighted average of the temperature of all particles (taking the particles volume into account).\
+
+- *"PostGraphMechanicalEnergy"*:\
+  Boolean for writing a graph with the mechanical energy components of all partilces.\
   Default: false
-
+
+- *"PostGraphDissipatedEnergy"*:\
+  Boolean for writing a graph with the accumulated energy dissipation of all partilces.\
+  Default: false
+
+- *"PostGraphThermalEnergy"*:\
+  Boolean for writing a graph with the accumulated thermal energy (from heat generation by energy dissipation) of all partilces.\
+  Default: false
+
 - *"PostGraphHeatFluxContributions"*:\
   Boolean for writing a graph with the contribution of each heat transfer mechanism to the total heat transfer.\
   Default: false
 
-- *"PostGraphHeatGenContributions"*:\
-  Boolean for writing a graph with the contribution of each heat generation mechanism to the total heat generation.\
+- *"PostGraphHeatGenerationValues"*:\
+  Boolean for writing a graph with the total values of  each heat generation mechanism.\
   Default: false
-  
-- *"PostGraphEnergyContributions"*:\
-  Boolean for writing a graph with the energy composition (conservative and accumulated dissipative components) of all partilces.\
+
+- *"PostGraphHeatGenerationContributions"*:\
+  Boolean for writing a graph with the contribution of each heat generation mechanism to the total heat generation.\
   Default: false
 
-- *"PostMapHeatGeneration"*:\
-  Boolean for assemblying and writing the density map of heat generation.\
+- *"PostHeatMapGeneration"*:\
+  Boolean for assemblying and writing the heat map of heat generation.\
   Default: false
-  
+
 **Material properties**
 - *"materials.Variables.THERMAL_CONDUCTIVITY"*:\
   Thermal conductivity of material (always required).

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_bob_complete.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(DIRECT_CONDUCTION_MODEL_BOB_COMPLETE_H_INCLUDED)
-#define DIRECT_CONDUCTION_MODEL_BOB_COMPLETE_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -92,5 +91,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // DIRECT_CONDUCTION_MODEL_BOB_COMPLETE_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_bob_modified.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(DIRECT_CONDUCTION_MODEL_BOB_MODIFIED_H_INCLUDED)
-#define DIRECT_CONDUCTION_MODEL_BOB_MODIFIED_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -81,5 +80,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // DIRECT_CONDUCTION_MODEL_BOB_MODIFIED_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_bob_simple.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(DIRECT_CONDUCTION_MODEL_BOB_SIMPLE_H_INCLUDED)
-#define DIRECT_CONDUCTION_MODEL_BOB_SIMPLE_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -78,5 +77,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // DIRECT_CONDUCTION_MODEL_BOB_SIMPLE_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_collision.cpp

@@ -29,7 +29,7 @@ namespace Kratos {
     // Get collision time and impact normal velocity
     typename ThermalSphericParticle::ContactParams contact_params = particle->GetContactParameters();
     const double col_time = r_process_info[TIME] - contact_params.impact_time;
-    const double impact_normal_velocity = fabs(contact_params.impact_velocity[0]);
+    const double impact_normal_velocity = std::abs(contact_params.impact_velocity[0]);
 
     // Compute max collision time
     double col_time_max = 0.0;

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_collision.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(DIRECT_CONDUCTION_MODEL_COLLISION_H_INCLUDED)
-#define DIRECT_CONDUCTION_MODEL_COLLISION_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -78,5 +77,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // DIRECT_CONDUCTION_MODEL_COLLISION_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_model.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(DIRECT_CONDUCTION_MODEL_H_INCLUDED)
-#define DIRECT_CONDUCTION_MODEL_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -81,5 +80,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // DIRECT_CONDUCTION_MODEL_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/direct_conduction_pipe.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(DIRECT_CONDUCTION_MODEL_PIPE_H_INCLUDED)
-#define DIRECT_CONDUCTION_MODEL_PIPE_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -78,5 +77,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // DIRECT_CONDUCTION_MODEL_PIPE_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/indirect_conduction_model.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(INDIRECT_CONDUCTION_MODEL_H_INCLUDED)
-#define INDIRECT_CONDUCTION_MODEL_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -81,5 +80,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // INDIRECT_CONDUCTION_MODEL_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/indirect_conduction_surround_layer.cpp

@@ -74,7 +74,7 @@ namespace Kratos {
     c = sqrt(1.0 - r_in  * r_in);
 
     // Heat transfer coefficient from analytical solution of the integral expression
-    return 2.0 * Globals::Pi * fluid_conductivity * particle_radius * ((a + 1.0) * log(fabs(b - a - 1.0) / fabs(a - c + 1.0)) + b - c);
+    return 2.0 * Globals::Pi * fluid_conductivity * particle_radius * ((a + 1.0) * log(std::abs(b - a - 1.0) / std::abs(a - c + 1.0)) + b - c);
 
     KRATOS_CATCH("")
   }

applications/ThermalDEMApplication/custom_constitutive/conduction/indirect_conduction_surround_layer.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(INDIRECT_CONDUCTION_MODEL_SURROUNDING_LAYER_H_INCLUDED)
-#define INDIRECT_CONDUCTION_MODEL_SURROUNDING_LAYER_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -83,5 +82,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // INDIRECT_CONDUCTION_MODEL_SURROUNDING_LAYER_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/indirect_conduction_vargas.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(INDIRECT_CONDUCTION_MODEL_VARGAS_H_INCLUDED)
-#define INDIRECT_CONDUCTION_MODEL_VARGAS_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -78,5 +77,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // INDIRECT_CONDUCTION_MODEL_VARGAS_H_INCLUDED

applications/ThermalDEMApplication/custom_constitutive/conduction/indirect_conduction_voronoi_a.h

@@ -6,8 +6,7 @@
 //  Main authors:  Rafael Rangel ([email protected])
 //
 
-#if !defined(INDIRECT_CONDUCTION_MODEL_VORONOI_A_H_INCLUDED)
-#define INDIRECT_CONDUCTION_MODEL_VORONOI_A_H_INCLUDED
+#pragma once
 
 // System includes
 
@@ -86,5 +85,3 @@ namespace Kratos
   }
 
 } // namespace Kratos
-
-#endif // INDIRECT_CONDUCTION_MODEL_VORONOI_A_H_INCLUDED