Line data    Source code

       1              : // Copyright 2024, UChicago Argonne, LLC
       2              : // All Rights Reserved
       3              : // Software Name: NEML2 -- the New Engineering material Model Library, version 2
       4              : // By: Argonne National Laboratory
       5              : // OPEN SOURCE LICENSE (MIT)
       6              : //
       7              : // Permission is hereby granted, free of charge, to any person obtaining a copy
       8              : // of this software and associated documentation files (the "Software"), to deal
       9              : // in the Software without restriction, including without limitation the rights
      10              : // to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
      11              : // copies of the Software, and to permit persons to whom the Software is
      12              : // furnished to do so, subject to the following conditions:
      13              : //
      14              : // The above copyright notice and this permission notice shall be included in
      15              : // all copies or substantial portions of the Software.
      16              : //
      17              : // THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
      18              : // IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
      19              : // FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
      20              : // AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
      21              : // LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
      22              : // OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
      23              : // THE SOFTWARE.
      24              : 
      25              : #include "neml2/models/chemical_reactions/CylindricalChannelGeometry.h"
      26              : #include "neml2/tensors/functions/sqrt.h"
      27              : #include "neml2/tensors/functions/clamp.h"
      28              : #include "neml2/tensors/functions/where.h"
      29              : #include "neml2/misc/assertions.h"
      30              : 
      31              : namespace neml2
      32              : {
      33              : register_NEML2_object(CylindricalChannelGeometry);
      34              : 
      35              : OptionSet
      36            2 : CylindricalChannelGeometry::expected_options()
      37              : {
      38            2 :   OptionSet options = Model::expected_options();
      39            2 :   options.doc() = "Calculate the dimensionless inner and outer radii of the reaction product";
      40              : 
      41            6 :   options.set_input("solid_fraction") = VariableName{"state", "phi_s"};
      42            2 :   options.set("solid_fraction").doc() = "Volume fraction of the solid phase";
      43            6 :   options.set_input("product_fraction") = VariableName{"state", "phi_p"};
      44            2 :   options.set("product_fraction").doc() = "Volume fraction of the product phase";
      45              : 
      46            6 :   options.set_output("inner_radius") = VariableName{"state", "ri"};
      47            2 :   options.set("inner_radius").doc() = "Dimensionless inner radius of the product phase";
      48            6 :   options.set_output("outer_radius") = VariableName{"state", "ro"};
      49            2 :   options.set("outer_radius").doc() = "Dimensionless outer radius of the product phase";
      50              : 
      51            2 :   return options;
      52            0 : }
      53              : 
      54            1 : CylindricalChannelGeometry::CylindricalChannelGeometry(const OptionSet & options)
      55              :   : Model(options),
      56            1 :     _phi_s(declare_input_variable<Scalar>("solid_fraction")),
      57            1 :     _phi_p(declare_input_variable<Scalar>("product_fraction")),
      58            1 :     _ri(declare_output_variable<Scalar>("inner_radius")),
      59            2 :     _ro(declare_output_variable<Scalar>("outer_radius"))
      60              : {
      61            1 : }
      62              : 
      63              : void
      64            2 : CylindricalChannelGeometry::set_value(bool out, bool dout_din, bool d2out_din2)
      65              : {
      66            2 :   neml_assert_dbg(!d2out_din2, "Second derivatives not implemented");
      67            2 :   neml_assert_dbg(_phi_s.scalar_type() == _phi_p.scalar_type(),
      68              :                   "Solid and product fractions must have the same scalar type");
      69              : 
      70            2 :   const auto eps = machine_precision(_phi_s.scalar_type()).toDouble();
      71            2 :   const auto cap = 1 - _phi_s - _phi_p;
      72            2 :   const auto ri = sqrt(clamp(cap, eps, 1.0 - eps));
      73            2 :   const auto ro = sqrt(1 - _phi_s);
      74              : 
      75            2 :   if (out)
      76              :   {
      77            1 :     _ri = ri;
      78            1 :     _ro = ro;
      79              :   }
      80              : 
      81            2 :   if (dout_din)
      82              :   {
      83            1 :     _ri.d(_phi_s) = where(cap <= eps, Scalar::zeros_like(ri), -0.5 / ri);
      84            1 :     _ri.d(_phi_p) = where(cap <= eps, Scalar::zeros_like(ri), -0.5 / ri);
      85            1 :     _ro.d(_phi_s) = -0.5 / ro;
      86              :   }
      87            2 : }
      88              : } // namespace neml2