Feat/add balance of energy

CMakeLists.txt

@@ -16,7 +16,7 @@ set(TARDIGRADE_BALANCE_EQUATIONS_USE_LIBXSMM OFF CACHE BOOL "Flag for whether to
 
 # Set the internal support libraries
 set(INTERNAL_SUPPORT_LIBRARIES )
-set(ADDITIONAL_HEADER_ONLY_LIBRARIES "tardigrade_balance_of_mass" "tardigrade_balance_of_linear_momentum" "tardigrade_finite_element_utilities")
+set(ADDITIONAL_HEADER_ONLY_LIBRARIES "tardigrade_balance_of_mass" "tardigrade_balance_of_linear_momentum" "tardigrade_balance_of_energy" "tardigrade_finite_element_utilities")
 set(PROJECT_SOURCE_FILES ${PROJECT_NAME}.cpp ${PROJECT_NAME}.h)
 set(PROJECT_PRIVATE_HEADERS "")
 foreach(package ${INTERNAL_SUPPORT_LIBRARIES})

docs/sphinx/changelog.rst

@@ -16,6 +16,7 @@ New Features
 - Added the calculation of the non-divergence part of the balance of linear momentum (:pull:`11`). By `Nathan Miller`_.
 - Added the calculation of the divergence part of the balance of linear momentum (:pull:`11`). By `Nathan Miller`_.
 - Added the multiphase balance of linear momentum (:pull:`12`). By `Nathan Miller`_.
+- Added the calculation of the balance of energy for single and multiphase reacting continuum (:pull:`13`). By `Nathan Miller`_.
 
 ******************
 0.1.0 (11-07-2024)

src/cpp/tardigrade_balance_of_energy.h

@@ -0,0 +1,135 @@
+/**
+  ******************************************************************************
+  * \file tardigrade_balance_of_energy.h
+  ******************************************************************************
+  * The header file for the equations associated with the balance of energy
+  ******************************************************************************
+  */
+
+#ifndef TARDIGRADE_BALANCE_OF_ENERGY_H
+#define TARDIGRADE_BALANCE_OF_ENERGY_H
+
+#include<array>
+
+#include "tardigrade_error_tools.h"
+
+namespace tardigradeBalanceEquations{
+
+    namespace balanceOfEnergy{
+
+        constexpr unsigned int dim = 3; //!< Set the dimension as 3D by default
+
+        constexpr unsigned int sot_dim = dim * dim; //!< Set the dimensions of a standard second order tensor
+
+        typedef double floatType; //!< Define the float type as a double
+
+        typedef std::array< floatType, dim > floatVector; //!< Define a standard vector
+
+        typedef std::array< floatType, sot_dim > secondOrderTensor; //!< Define a standard second-order tensor
+
+        template<class floatVector_iter, class secondOrderTensor_iter>
+        void computeBalanceOfEnergyNonDivergence( const floatType &density, const floatType &density_dot,
+                                                  const floatVector_iter &density_gradient_begin, const floatVector_iter &density_gradient_end,
+                                                  const floatType &internal_energy, const floatType &internal_energy_dot,
+                                                  const floatVector_iter &internal_energy_gradient_begin, const floatVector_iter &internal_energy_gradient_end,
+                                                  const floatVector_iter &velocity_begin, const floatVector_iter &velocity_end,
+                                                  const secondOrderTensor_iter &velocity_gradient_begin, const secondOrderTensor_iter &velocity_gradient_end,
+                                                  const secondOrderTensor_iter &cauchy_stress_begin, const secondOrderTensor_iter &cauchy_stress_end,
+                                                  const floatType &volume_fraction,
+                                                  const floatType &internal_heat_generation,
+                                                  const floatVector_iter &net_interphase_force_begin, const floatVector_iter &net_interphase_force_end,
+                                                  floatType &result );
+
+        template<class floatVector_iter, class secondOrderTensor_iter, class floatVector_iter_out, class secondOrderTensor_iter_out>
+        void computeBalanceOfEnergyNonDivergence( const floatType &density, const floatType &density_dot,
+                                                  const floatVector_iter &density_gradient_begin, const floatVector_iter &density_gradient_end,
+                                                  const floatType &internal_energy, const floatType &internal_energy_dot,
+                                                  const floatVector_iter &internal_energy_gradient_begin, const floatVector_iter &internal_energy_gradient_end,
+                                                  const floatVector_iter &velocity_begin, const floatVector_iter &velocity_end,
+                                                  const secondOrderTensor_iter &velocity_gradient_begin, const secondOrderTensor_iter &velocity_gradient_end,
+                                                  const secondOrderTensor_iter &cauchy_stress_begin, const secondOrderTensor_iter &cauchy_stress_end,
+                                                  const floatType &volume_fraction,
+                                                  const floatType &internal_heat_generation,
+                                                  const floatVector_iter &net_interphase_force_begin, const floatVector_iter &net_interphase_force_end,
+                                                  floatType &result,
+                                                  floatType &dRdRho, floatType &dRdRhoDot, floatVector_iter_out dRdGradRho_begin, floatVector_iter_out dRdGradRho_end,
+                                                  floatType &dRdE, floatType &dRdEDot, floatVector_iter_out dRdGradE_begin, floatVector_iter_out dRdGradE_end,
+                                                  floatVector_iter_out dRdV_begin, floatVector_iter_out dRdV_end,
+                                                  secondOrderTensor_iter_out dRdGradV_begin, secondOrderTensor_iter_out dRdGradV_end,
+                                                  secondOrderTensor_iter_out dRdCauchy_begin, secondOrderTensor_iter_out dRdCauchy_end,
+                                                  floatType &dRdPhi, floatType &dRdr,
+                                                  floatVector_iter_out dRdpi_begin, floatVector_iter_out dRdpi_end );
+
+        template<class scalarArray_iter, class floatVector_iter, class secondOrderTensor_iter, class scalarArray_iter_out>
+        void computeBalanceOfEnergyNonDivergence( const scalarArray_iter &density_begin, const scalarArray_iter &density_end,
+                                                  const scalarArray_iter &density_dot_begin, const scalarArray_iter &density_dot_end,
+                                                  const floatVector_iter &density_gradient_begin, const floatVector_iter &density_gradient_end,
+                                                  const scalarArray_iter &internal_energy_begin, const scalarArray_iter &internal_energy_end,
+                                                  const scalarArray_iter &internal_energy_dot_begin, const scalarArray_iter &internal_energy_dot_end,
+                                                  const floatVector_iter &internal_energy_gradient_begin, const floatVector_iter &internal_energy_gradient_end,
+                                                  const floatVector_iter &velocity_begin, const floatVector_iter &velocity_end,
+                                                  const secondOrderTensor_iter &velocity_gradient_begin, const secondOrderTensor_iter &velocity_gradient_end,
+                                                  const secondOrderTensor_iter &cauchy_stress_begin, const secondOrderTensor_iter &cauchy_stress_end,
+                                                  const scalarArray_iter &volume_fraction_begin, const scalarArray_iter &volume_fraction_end,
+                                                  const scalarArray_iter &internal_heat_generation_begin, const scalarArray_iter &internal_heat_generation_end,
+                                                  const floatVector_iter &net_interphase_force_begin, const floatVector_iter &net_interphase_force_end,
+                                                  scalarArray_iter_out result_begin, scalarArray_iter_out result_end );
+
+        template<class scalarArray_iter, class floatVector_iter, class secondOrderTensor_iter, class scalarArray_iter_out, class floatVector_iter_out, class secondOrderTensor_iter_out>
+        void computeBalanceOfEnergyNonDivergence( const scalarArray_iter &density_begin,                  const scalarArray_iter &density_end,
+                                                  const scalarArray_iter &density_dot_begin,              const scalarArray_iter &density_dot_end,
+                                                  const floatVector_iter &density_gradient_begin,         const floatVector_iter &density_gradient_end,
+                                                  const scalarArray_iter &internal_energy_begin,          const scalarArray_iter &internal_energy_end,
+                                                  const scalarArray_iter &internal_energy_dot_begin,      const scalarArray_iter &internal_energy_dot_end,
+                                                  const floatVector_iter &internal_energy_gradient_begin, const floatVector_iter &internal_energy_gradient_end,
+                                                  const floatVector_iter &velocity_begin,                 const floatVector_iter &velocity_end,
+                                                  const secondOrderTensor_iter &velocity_gradient_begin,  const secondOrderTensor_iter &velocity_gradient_end,
+                                                  const secondOrderTensor_iter &cauchy_stress_begin,      const secondOrderTensor_iter &cauchy_stress_end,
+                                                  const scalarArray_iter &volume_fraction_begin,          const scalarArray_iter &volume_fraction_end,
+                                                  const scalarArray_iter &internal_heat_generation_begin, const scalarArray_iter &internal_heat_generation_end,
+                                                  const floatVector_iter &net_interphase_force_begin,     const floatVector_iter &net_interphase_force_end,
+                                                  scalarArray_iter_out result_begin,                      scalarArray_iter_out result_end,
+                                                  scalarArray_iter_out dRdRho_begin,                      scalarArray_iter_out dRdRho_end,
+                                                  scalarArray_iter_out dRdRhoDot_begin,                   scalarArray_iter_out dRdRhoDot_end,
+                                                  floatVector_iter_out dRdGradRho_begin,                  floatVector_iter_out dRdGradRho_end,
+                                                  scalarArray_iter_out dRdE_begin,                        scalarArray_iter_out dRdE_end,
+                                                  scalarArray_iter_out dRdEDot_begin,                     scalarArray_iter_out dRdEDot_end,
+                                                  floatVector_iter_out dRdGradE_begin,                    floatVector_iter_out dRdGradE_end,
+                                                  floatVector_iter_out dRdV_begin,                        floatVector_iter_out dRdV_end,
+                                                  secondOrderTensor_iter_out dRdGradV_begin,              secondOrderTensor_iter_out dRdGradV_end,
+                                                  secondOrderTensor_iter_out dRdCauchy_begin,             secondOrderTensor_iter_out dRdCauchy_end,
+                                                  scalarArray_iter_out dRdPhi_begin,                      scalarArray_iter_out dRdPhi_end,
+                                                  scalarArray_iter_out dRdr_begin,                        scalarArray_iter_out dRdr_end,
+                                                  floatVector_iter_out dRdpi_begin,                       floatVector_iter_out dRdpi_end );
+
+        template<class floatVector_iter>
+        void computeBalanceOfEnergyDivergence( const floatVector_iter &test_function_gradient_begin, const floatVector_iter &test_function_gradient_end,
+                                               const floatVector_iter &heat_flux_begin,              const floatVector_iter &heat_flux_end,
+                                               floatType &result );
+
+        template<class floatVector_iter, class floatVector_iter_out>
+        void computeBalanceOfEnergyDivergence( const floatVector_iter &test_function_gradient_begin, const floatVector_iter &test_function_gradient_end,
+                                               const floatVector_iter &heat_flux_begin,              const floatVector_iter &heat_flux_end,
+                                               floatType &result,
+                                               floatVector_iter_out dRdGradPsi_begin,                floatVector_iter_out dRdGradPsi_end,
+                                               floatVector_iter_out dRdq_begin,                      floatVector_iter_out dRdq_end );
+
+        template<class floatVector_iter, class scalarArray_iter_out>
+        void computeBalanceOfEnergyDivergence( const floatVector_iter &test_function_gradient_begin, const floatVector_iter &test_function_gradient_end,
+                                               const floatVector_iter &heat_flux_begin,              const floatVector_iter &heat_flux_end,
+                                               scalarArray_iter_out result_begin,                    scalarArray_iter_out result_end );
+
+        template<class floatVector_iter, class scalarArray_iter_out, class floatVector_iter_out>
+        void computeBalanceOfEnergyDivergence( const floatVector_iter &test_function_gradient_begin, const floatVector_iter &test_function_gradient_end,
+                                               const floatVector_iter &heat_flux_begin,              const floatVector_iter &heat_flux_end,
+                                               scalarArray_iter_out result_begin,                    scalarArray_iter_out result_end,
+                                               floatVector_iter_out dRdGradPsi_begin,                floatVector_iter_out dRdGradPsi_end,
+                                               floatVector_iter_out dRdq_begin,                      floatVector_iter_out dRdq_end );
+
+    }
+
+}
+
+#include "tardigrade_balance_of_energy.cpp"
+
+#endif