cs_solidification.h

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#ifndef __CS_SOLIDIFICATION_H__
#define __CS_SOLIDIFICATION_H__
 
/*============================================================================
 * Header to handle the solidification module with CDO schemes
 *============================================================================*/
 
/*
  This file is part of code_saturne, a general-purpose CFD tool.
 
  Copyright (C) 1998-2024 EDF S.A.
 
  This program is free software; you can redistribute it and/or modify it under
  the terms of the GNU General Public License as published by the Free Software
  Foundation; either version 2 of the License, or (at your option) any later
  version.
 
  This program is distributed in the hope that it will be useful, but WITHOUT
  ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
  FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more
  details.
 
  You should have received a copy of the GNU General Public License along with
  this program; if not, write to the Free Software Foundation, Inc., 51 Franklin
  Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
 
/*----------------------------------------------------------------------------
 *  Local headers
 *----------------------------------------------------------------------------*/
 
#include "cs_base.h"
#include "cs_boundary.h"
#include "cs_equation.h"
#include "cs_iter_algo.h"
#include "cs_navsto_param.h"
#include "cs_time_plot.h"
#include "cs_time_step.h"
 
/*----------------------------------------------------------------------------*/
 
BEGIN_C_DECLS
 
/*============================================================================
 * Macro definitions
 *============================================================================*/
 
#define CS_SOLIDIFICATION_POST_CELL_STATE             (1 << 0) /* =   1 */
#define CS_SOLIDIFICATION_POST_ENTHALPY               (1 << 1) /* =   2 */
#define CS_SOLIDIFICATION_POST_CBULK_ADIM             (1 << 2) /* =   4 */
#define CS_SOLIDIFICATION_POST_CLIQ                   (1 << 3) /* =   8 */
#define CS_SOLIDIFICATION_POST_LIQUIDUS_TEMPERATURE   (1 << 4) /* =  16 */
#define CS_SOLIDIFICATION_POST_SEGREGATION_INDEX      (1 << 5) /* =  32 */
#define CS_SOLIDIFICATION_POST_SOLIDIFICATION_RATE    (1 << 6) /* =  64 */
#define CS_SOLIDIFICATION_ADVANCED_ANALYSIS           (1 << 7) /* = 128 */
 
#define CS_SOLIDIFICATION_USE_ENTHALPY_VARIABLE             (1 << 0) /*=    1 */
#define CS_SOLIDIFICATION_NO_VELOCITY_FIELD                 (1 << 1) /*=    2 */
#define CS_SOLIDIFICATION_WITH_SOLUTE_SOURCE_TERM           (1 << 2) /*=    4 */
#define CS_SOLIDIFICATION_USE_EXTRAPOLATION                 (1 << 3) /*=    8 */
#define CS_SOLIDIFICATION_WITH_PENALIZED_EUTECTIC           (1 << 4) /*=   16 */
 
/* Automatically set by the code if user functions are used
 * The following flags are set when calling \ref cs_solidification_set_functions
 *
 * \def CS_SOLIDIFICATION_BINARY_ALLOY_M_FUNC
 * \brief the update of the forcing term (penalization) in the momentum equation
 *        is defined using a user function
 *
 * \def CS_SOLIDIFICATION_BINARY_ALLOY_C_FUNC
 * \brief the update of the liquid concentration of the binary alloy is defined
 *        using a user function
 *
 * \def CS_SOLIDIFICATION_BINARY_ALLOY_G_FUNC
 * \brief the update of the liquid fraction is defined using a user function
 *
 * \def CS_SOLIDIFICATION_BINARY_ALLOY_T_FUNC
 * \brief the update of the thermal source term is defined using a user function
 */
#define CS_SOLIDIFICATION_BINARY_ALLOY_M_FUNC               (1 << 7) /*=  128 */
#define CS_SOLIDIFICATION_BINARY_ALLOY_C_FUNC               (1 << 8) /*=  256 */
#define CS_SOLIDIFICATION_BINARY_ALLOY_G_FUNC               (1 << 9) /*=  512 */
#define CS_SOLIDIFICATION_BINARY_ALLOY_T_FUNC               (1 <<10) /*= 1024 */
 
/*=============================================================================
 * Structure and type definitions
 *============================================================================*/
 
typedef enum {
 
  CS_SOLIDIFICATION_MODEL_STEFAN,
  CS_SOLIDIFICATION_MODEL_VOLLER_PRAKASH_87,
  CS_SOLIDIFICATION_MODEL_VOLLER_NL,
  CS_SOLIDIFICATION_MODEL_BINARY_ALLOY,
 
  CS_SOLIDIFICATION_N_MODELS
 
} cs_solidification_model_t;
 
typedef enum {
 
  CS_SOLIDIFICATION_STATE_SOLID    = 0,
  CS_SOLIDIFICATION_STATE_MUSHY    = 1,
  CS_SOLIDIFICATION_STATE_LIQUID   = 2,
  CS_SOLIDIFICATION_STATE_EUTECTIC = 3,
 
  CS_SOLIDIFICATION_N_STATES       = 4,
 
} cs_solidification_state_t;
 
typedef enum {
 
  CS_SOLIDIFICATION_STRATEGY_LEGACY,
  CS_SOLIDIFICATION_STRATEGY_TAYLOR,
  CS_SOLIDIFICATION_STRATEGY_PATH,
 
  CS_SOLIDIFICATION_N_STRATEGIES
 
} cs_solidification_strategy_t;
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
typedef void
(cs_solidification_func_t)(const cs_mesh_t             *mesh,
                           const cs_cdo_connect_t      *connect,
                           const cs_cdo_quantities_t   *quant,
                           const cs_time_step_t        *ts);
 
/* Structure storing physical parameters related to a choice of solidification
   modelling */
 
/*----------------------------------------------------------------------------
 * Stefan model
 *----------------------------------------------------------------------------
 *
 * Neither advection nor segregation is taken into account.
 * The liquid fraction is a step function w.r.t. the temperature.
 */
 
typedef struct {
 
  /* Physical parameters to specify the law of variation of the liquid fraction
   * with respect to the temperature
   *
   * gl(T) = 1 if T > T_change
   * Otherwise:
   * gl(T) = 0
   */
 
  cs_real_t                      t_change;
 
  /* Function pointers */
  /* ----------------- */
 
  /* Function to update the liquid fraction */
 
  cs_solidification_func_t      *update_gl;
 
  /* Function to update the source term for the thermal equation */
 
  cs_solidification_func_t      *update_thm_st;
 
  /* Numerical parameters */
  /* -------------------- */
 
  int                            n_iter_max;
  double                         max_delta_h;
 
} cs_solidification_stefan_t;
 
 
/* Voller and Prakash model "A fixed grid numerical modelling methodology for
 * convection-diffusion mushy region phase-change problems" Int. J. Heat
 * Transfer, 30 (8), 1987.
 * No tracer. Only physical constants describing the solidification process are
 * used.
 */
 
/*----------------------------------------------------------------------------
 * Solidification without segregation (Voller & Prakash'87 model)
 *----------------------------------------------------------------------------*/
 
typedef struct {
 
  /* Physical parameters to specify the law of variation of the liquid fraction
   * with respect to the temperature
   *
   * gl(T) = 1 if T > t_liquidus and gl(T) = 0 if T < t_solidus
   * Otherwise:
   * gl(T) = (T - t_solidus)/(t_liquidus - t_solidus)
   */
 
  cs_real_t                      t_solidus;
  cs_real_t                      t_liquidus;
 
  /* Function pointers */
  /* ----------------- */
 
  /* Function to update the liquid fraction */
 
  cs_solidification_func_t      *update_gl;
 
  /* Function to update the source term for the thermal equation */
 
  cs_solidification_func_t      *update_thm_st;
 
  /* Numerical parameters */
  /* -------------------- */
 
  cs_param_nl_algo_t             nl_algo_type;
  cs_iter_algo_t                *nl_algo;
 
} cs_solidification_voller_t;
 
 
/*----------------------------------------------------------------------------
 * Solidification of a binary alloy with segregation (Voller & Prakash'89 model)
 *----------------------------------------------------------------------------*/
 
typedef struct {
 
  /* Alloy features */
  /* -------------- */
 
  /* Reference mixture concentration (used in the Boussinesq approximation and
   * for normalization */
 
  cs_real_t    ref_concentration;
 
  /* Phase diagram features for an alloy with the component A and B */
  /* -------------------------------------------------------------- */
 
  /* Physical parameters */
 
  cs_real_t    kp;       /* distribution coefficient */
  cs_real_t    inv_kp;   /* reciprocal of kp */
  cs_real_t    inv_kpm1; /* 1/(kp - 1) */
  cs_real_t    ml;       /* Liquidus slope \frac{\partial g_l}{\partial C} */
  cs_real_t    inv_ml;   /* reciprocal of ml */
 
  /* Temperature of phase change for the pure material (conc = 0) */
 
  cs_real_t    t_melt;
 
  /* Eutectic point: temperature and concentration */
 
  cs_real_t    t_eut;
  cs_real_t    t_eut_inf;
  cs_real_t    t_eut_sup;
 
  cs_real_t    c_eut;
  cs_real_t    cs1;
  cs_real_t    dgldC_eut;
 
  /* The variable related to this equation in the solute concentration of
   * the mixture: c_bulk (c_s in the solid phase and c_l in the liquid phase)
   * c_bulk = gs*c_s + gl*c_l where gs + gl = 1
   * gl is the liquid fraction and gs the solid fraction
   * c_s = kp * c_l (lever rule is assumed up to now)
   *
   * --> c_bulk = (gs*kp + gl)*c_l
   */
 
  /* Function to update the liquid fraction */
 
  cs_solidification_func_t     *update_gl;
 
  /* Function to update the source term for the thermal equation */
 
  cs_solidification_func_t     *update_thm_st;
 
  /* Function to update the velocity forcing in the momentum equation */
 
  cs_solidification_func_t     *update_velocity_forcing;
 
  /* Function to update c_l in each cell */
 
  cs_solidification_func_t     *update_clc;
 
  /* Drive the convergence of the coupled system (solute transport and thermal
   * equation) with respect to the following criteria (taken from Voller and
   * Swaminathan'91)
   *   max_{c\in C} |Temp^(k+1) - Temp^(k)| < delta_tolerance
   *   max_{c\in C} |Cbulk^(k+1) - Cbulk*^(k)| < delta_tolerance
   *   n_iter < n_iter_max
   *
   * eta_relax: add a relaxation in the update of the eta coefficient
   * conc_liq = eta_coef * conc_bulk
   * eta_relax = 0. --> No relaxation (default choice)
   *
   * gliq_relax: idem but for the liquid fraction
   */
 
  int                           iter;
  int                           n_iter_max;
  double                        delta_tolerance;
  double                        eta_relax;
  double                        gliq_relax;
 
  /* During the non-linear iteration process one needs:
   *  temp_{n}         --> stored in field->val_pre
   *  temp_{n+1}^k     --> stored in tk_bulk (in this structure)
   *  temp_{n+1}^{k+1} --> stored in field->val
   *
   * Optionally one may consider an extrapolated temperature and bulk
   * concentration
   *  temp_{n+1}^{extrap} = 2*temp_{n} - temp_{n-1}
   *
   * Same thing for the bulk concentration.
   */
 
  cs_real_t         *tk_bulk;
  cs_real_t         *ck_bulk;
  cs_real_t         *tx_bulk;
  cs_real_t         *cx_bulk;
 
  /* Solute concentration in the liquid phase
   * 1) array of the last computed values at cells
   * 2) array of the last computed values at faces (interior and border) */
 
  cs_real_t         *c_l_cells;
  cs_real_t         *c_l_faces;
 
  /* Temperature values at faces (this is not owned by the structure) */
 
  const cs_real_t   *temp_faces;
 
  /* Equation for the solute transport and related quantities */
 
  cs_equation_t     *solute_equation;
  cs_field_t        *c_bulk;
 
  /* Diffusion coefficient for the solute in the liquid phase
   * diff_pty_val = rho * g_l * diff_coef */
 
  cs_real_t          diff_coef;
  cs_property_t     *diff_pty;
  cs_real_t         *diff_pty_array;
 
  cs_property_t     *eta_coef_pty;
  cs_real_t         *eta_coef_array;
 
  /* Optional post-processing arrays */
  /* ------------------------------ */
 
  /* Liquidus temperature (values at cell centers) */
 
  cs_real_t         *t_liquidus;
 
  /* Quantities for advanced analysis */
 
  cs_real_t         *tbulk_minus_tliq;
  cs_real_t         *cliq_minus_cbulk;
 
} cs_solidification_binary_alloy_t;
 
/*----------------------------------------------------------------------------
 * Main structure to manage the solidification process
 *----------------------------------------------------------------------------*/
 
typedef struct  {
 
  cs_flag_t        model;       /* Modelling for the solidification module */
  cs_flag_t        options;     /* Flag dedicated to general options to handle
                                 * the solidification module*/
  cs_flag_t        post_flag;   /* Flag dedicated to the post-processing
                                 * of the solidification module */
  int              verbosity;   /* Level of verbosity */
 
  /* Physical properties common to all models */
  /* ---------------------------------------- */
 
  /* Mass density of the liquid/solid media */
 
  cs_property_t   *mass_density;
 
  /* Reference value for the heat capacity in the solidification/melting area
   * (assumed to be uniform) */
 
  cs_property_t   *cp;
 
  /* Viscosity (pointer to the total viscosity which should be equal to the
  *  laminar viscosity since no turbulence modelling is usually taken into
  *  account */
 
  cs_property_t   *viscosity;
 
  /* Physical parameter for computing the source term in the energy equation
   * Latent heat between the liquid and solid phase
   */
 
  cs_real_t        latent_heat;
 
 
  /* Liquid fraction of the mixture */
  /* ------------------------------ */
 
  cs_field_t      *g_l_field;   /* field storing the values of the liquid
                                   fraction at each cell */
  cs_property_t   *g_l;         /* liquid fraction property */
 
  /* array storing the state (solid, mushy, liquid) for each cell */
 
  cs_solidification_state_t     *cell_state;
 
  /* Plot evolution of the solidification process */
 
  cs_time_plot_t                *plot_state;
 
  /* Monitoring related to this module */
 
  cs_real_t        state_ratio[CS_SOLIDIFICATION_N_STATES];
  cs_gnum_t        n_g_cells[CS_SOLIDIFICATION_N_STATES];
 
  /* Quantities related to the energy equation */
  /* ----------------------------------------- */
 
  cs_thermal_system_t   *thermal_sys;
 
  /* Fields associated to this module */
 
  cs_field_t      *temperature;
 
  /* Enthalpy (by default this a derived field which can be used to update of
     the liquid fraction) */
 
  cs_field_t      *enthalpy;
 
 
  /* A reaction term and source term are introduced in the thermal model */
 
  cs_property_t   *thermal_reaction_coef;
  cs_real_t       *thermal_reaction_coef_array;
  cs_real_t       *thermal_source_term_array;
 
  /* Additional settings related to the choice of solidification modelling */
 
  void            *model_context;
 
  /* Strategy to update quantities during the solidification process. These
   * quantities are the liquid fraction, the thermal source term for
   * instance */
 
  cs_solidification_strategy_t   strategy;
 
  /* A reaction term is introduced in the momentum equation. This terms tends to
   * a huge number when the liquid fraction tends to 0 in order to penalize
   * the velocity to zero when the whole cell is solid
   */
 
  cs_real_t       *forcing_mom_array; /* values of the forcing reaction
                                         coefficient in each cell */
  cs_property_t   *forcing_mom;
 
  /* Porous media model acting as a reaction term in the momentum equation:
   *
   * forcing_coef = visco0 / KC
   * where visco0 is the laminar viscosity and K the permeability
   *
   * The Kozeny-Carman relation gives a value of the permeability coefficient
   *
   *     KC = gl^3 * s_das^2 / (PI^2 * Kozeny_const * tau^2 * (1 - gl)^2)
   *
   * where
   * - gl is the liquid fraction
   * - s_das is the secondary dendrite arm spacing [m]
   * - Kozeny_const is the Kozeny constant
   * - tau is the tortuosity coefficient
   *
   * One gathers all parameters which are constant during the simulation
   * in the parameter "forcing_coef"
   *
   * F(u) = forcing_coef * (1- gl)^2/(gl^3 + forcing_eps) * u
   *
   * There is slight modification in order to avoid a division by zero.
   */
 
  double           s_das;           /* default is 0.00085 m */
  double           kozeny_constant; /* default value is 5.0 */
  double           tortuosity;      /* default value is 2.0 */
  double           forcing_coef;
 
  /* First cell associated to a fluid/solid area (i.e. not associated to
   * a permanent solid zone) */
 
  cs_lnum_t        first_cell;
 
} cs_solidification_t;
 
/*============================================================================
 * Public function prototypes
 *============================================================================*/
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
bool
cs_solidification_is_activated(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_t *
cs_solidification_get_structure(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_verbosity(int   verbosity);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_forcing_eps(cs_real_t    forcing_eps);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_t *
cs_solidification_activate(cs_solidification_model_t      model,
                           cs_flag_t                      options,
                           cs_flag_t                      post_flag,
                           const cs_boundary_t           *boundaries,
                           cs_navsto_param_model_t        ns_model,
                           cs_navsto_param_model_flag_t   ns_model_flag,
                           cs_navsto_param_coupling_t     algo_coupling,
                           cs_navsto_param_post_flag_t    ns_post_flag);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_kozeny_carman_parameters(double kozeny_constant,
                                               double tortuosity,
                                               double s_das);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_stefan_t *
cs_solidification_get_stefan_struct(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_stefan_t *
cs_solidification_check_stefan_model(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_stefan_model(cs_real_t    t_change,
                                   cs_real_t    latent_heat);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_voller_t *
cs_solidification_get_voller_struct(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_voller_t *
cs_solidification_check_voller_model(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_voller_model(cs_real_t beta,
                                   cs_real_t t_ref,
                                   cs_real_t t_solidus,
                                   cs_real_t t_liquidus,
                                   cs_real_t latent_heat);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_voller_model_no_velocity(cs_real_t t_solidus,
                                               cs_real_t t_liquidus,
                                               cs_real_t latent_heat);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_binary_alloy_t *
cs_solidification_get_binary_alloy_struct(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_binary_alloy_t *
cs_solidification_check_binary_alloy_model(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_binary_alloy_model(const char *name,
                                         const char *varname,
                                         cs_real_t   beta_t,
                                         cs_real_t   temp0,
                                         cs_real_t   beta_c,
                                         cs_real_t   conc0,
                                         cs_real_t   kp,
                                         cs_real_t   mliq,
                                         cs_real_t   t_eutec,
                                         cs_real_t   t_melt,
                                         cs_real_t   solute_diff,
                                         cs_real_t   latent_heat);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_strategy(cs_solidification_strategy_t  strategy);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_set_segr_functions(cs_solidification_func_t  *vel_forcing,
                                     cs_solidification_func_t  *cliq_update,
                                     cs_solidification_func_t  *gliq_update,
                                     cs_solidification_func_t  *thm_st_update);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
cs_solidification_t *
cs_solidification_destroy_all(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_init_setup(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_finalize_setup(const cs_cdo_connect_t       *connect,
                                 const cs_cdo_quantities_t    *quant);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_log_setup(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_init_values(const cs_mesh_t              *mesh,
                              const cs_cdo_connect_t       *connect,
                              const cs_cdo_quantities_t    *quant,
                              const cs_time_step_t         *time_step);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_compute(const cs_mesh_t              *mesh,
                          const cs_cdo_connect_t       *connect,
                          const cs_cdo_quantities_t    *quant,
                          const cs_time_step_t         *time_step);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_extra_op(const cs_cdo_connect_t      *connect,
                           const cs_cdo_quantities_t   *quant,
                           const cs_time_step_t        *ts);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_solidification_extra_post(void                      *input,
                             int                        mesh_id,
                             int                        cat_id,
                             int                        ent_flag[5],
                             cs_lnum_t                  n_cells,
                             cs_lnum_t                  n_i_faces,
                             cs_lnum_t                  n_b_faces,
                             const cs_lnum_t            cell_ids[],
                             const cs_lnum_t            i_face_ids[],
                             const cs_lnum_t            b_face_ids[],
                             const cs_time_step_t      *time_step);
 
/*----------------------------------------------------------------------------*/
 
END_C_DECLS
 
#endif /* __CS_SOLIDIFICATION_H__ */