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Add multi-species thermal models;
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simplifies template parameters with single-species tag
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@streeve
streeve committed Aug 9, 2024
1 parent 195ee0e commit 315f5cb
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Showing 3 changed files with 158 additions and 17 deletions.
61 changes: 55 additions & 6 deletions src/CabanaPD_ForceModels.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -17,11 +17,11 @@
namespace CabanaPD
{

template <typename... MemorySpace>
template <typename MemorySpace>
struct BaseForceModel;

template <>
struct BaseForceModel<>
struct BaseForceModel<SingleSpecies>
{
using species_type = SingleSpecies;
double delta;
Expand All @@ -38,14 +38,13 @@ struct BaseForceModel<>
void thermalStretch( double&, const int, const int ) const {}
};

template <typename... MemorySpace>
template <typename MemorySpace>
struct BaseForceModel
{
using species_type = MultiSpecies;

// Only allow one memory space.
using memory_space =
typename std::tuple_element<0, std::tuple<MemorySpace...>>::type;
using memory_space = MemorySpace;
using view_type_1d = Kokkos::View<double*, memory_space>;
view_type_1d delta;
double max_delta;
Expand Down Expand Up @@ -86,8 +85,11 @@ struct BaseForceModel
void thermalStretch( double&, const int, const int ) const {}
};

template <typename TemperatureType, typename SpeciesType>
struct BaseTemperatureModel;

template <typename TemperatureType>
struct BaseTemperatureModel
struct BaseTemperatureModel<TemperatureType, SingleSpecies>
{
using species_type = SingleSpecies;
using memory_space = typename TemperatureType::memory_space;
Expand Down Expand Up @@ -115,6 +117,53 @@ struct BaseTemperatureModel
}
};

template <typename TemperatureType, typename ParticleType>
struct BaseTemperatureModel
{
using species_type = MultiSpecies;
using memory_space = typename TemperatureType::memory_space;
using view_type_1d = Kokkos::View<double*, memory_space>;
view_type_1d alpha;
view_type_1d temp0;

// Particle fields
TemperatureType temperature;
ParticleType type;

template <typename ArrayType>
BaseTemperatureModel( const TemperatureType& _temp, const ArrayType _alpha,
const ArrayType _temp0, const ParticleType& _type )
: alpha( view_type_1d( "delta", _alpha.size() ) )
, temp0( view_type_1d( "delta", _temp0.size() ) )
, temperature( _temp )
, type( _type )
{
auto init_func = KOKKOS_CLASS_LAMBDA( const int i )
{
alpha( i ) = _alpha[i];
temp0( i ) = _temp0[i];
};
using exec_space = typename memory_space::execution_space;
Kokkos::RangePolicy<exec_space> policy( 0, alpha.size() );
Kokkos::parallel_for( "CabanaPD::Model::Init", policy, init_func );
}

void update( const TemperatureType& _temp, const ParticleType& _type )
{
temperature = _temp;
type = _type;
}

// Update stretch with temperature effects.
KOKKOS_INLINE_FUNCTION
void thermalStretch( double& s, const int i, const int j ) const
{
double temp_avg =
0.5 * ( temperature( i ) + temperature( j ) ) - temp0( type( i ) );
s -= alpha( type( i ) ) * temp_avg;
}
};

template <typename ModelType, typename DamageType,
typename ThermalType = TemperatureIndependent, typename... DataTypes>
struct ForceModel;
Expand Down
4 changes: 2 additions & 2 deletions src/force/CabanaPD_ForceModels_LPS.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -19,9 +19,9 @@ namespace CabanaPD
{

template <>
struct ForceModel<LPS, Elastic> : public BaseForceModel<>
struct ForceModel<LPS, Elastic> : public BaseForceModel<SingleSpecies>
{
using base_type = BaseForceModel<>;
using base_type = BaseForceModel<SingleSpecies>;
using species_type = SingleSpecies;
using base_model = LPS;
using fracture_type = Elastic;
Expand Down
110 changes: 101 additions & 9 deletions src/force/CabanaPD_ForceModels_PMB.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -20,10 +20,10 @@ namespace CabanaPD

template <>
struct ForceModel<PMB, Elastic, TemperatureIndependent>
: public BaseForceModel<>
: public BaseForceModel<SingleSpecies>
{
using base_type = BaseForceModel<>;
using species_type = typename base_type::species_type;
using base_type = BaseForceModel<SingleSpecies>;
using species_type = SingleSpecies;
using base_model = PMB;
using fracture_type = Elastic;
using thermal_type = TemperatureIndependent;
Expand Down Expand Up @@ -326,12 +326,13 @@ struct ForceModel<LinearPMB, Fracture, TemperatureIndependent, ModelParams...>
template <typename TemperatureType>
struct ForceModel<PMB, Elastic, TemperatureDependent, TemperatureType>
: public ForceModel<PMB, Elastic, TemperatureIndependent>,
BaseTemperatureModel<TemperatureType>
BaseTemperatureModel<TemperatureType, SingleSpecies>
{
using memory_space = typename TemperatureType::memory_space;
using base_type = ForceModel<PMB, Elastic, TemperatureIndependent>;
using species_type = typename base_type::species_type;
using base_temperature_type = BaseTemperatureModel<TemperatureType>;
using base_temperature_type =
BaseTemperatureModel<TemperatureType, SingleSpecies>;
using base_model = PMB;
using fracture_type = Elastic;
using thermal_type = TemperatureDependent;
Expand All @@ -347,7 +348,6 @@ struct ForceModel<PMB, Elastic, TemperatureDependent, TemperatureType>
// Explicitly use the temperature-dependent stretch.
using base_temperature_type::thermalStretch;

// ForceModel(){};
ForceModel( const double _delta, const double _K,
const TemperatureType _temp, const double _alpha,
const double _temp0 = 0.0 )
Expand All @@ -357,6 +357,44 @@ struct ForceModel<PMB, Elastic, TemperatureDependent, TemperatureType>
}
};

template <typename TemperatureType, typename ParticleType>
struct ForceModel<PMB, Elastic, TemperatureDependent, TemperatureType,
ParticleType>
: public ForceModel<PMB, Elastic, TemperatureIndependent, ParticleType>,
BaseTemperatureModel<TemperatureType, ParticleType>
{
using memory_space = typename TemperatureType::memory_space;
using base_type =
ForceModel<PMB, Elastic, TemperatureIndependent, ParticleType>;
using species_type = typename base_type::species_type;
using base_temperature_type =
BaseTemperatureModel<TemperatureType, ParticleType>;
using base_model = PMB;
using fracture_type = Elastic;
using thermal_type = TemperatureDependent;

using base_type::c;
using base_type::delta;
using base_type::K;
using base_type::type;

// Thermal parameters
using base_temperature_type::alpha;
using base_temperature_type::temp0;

// Explicitly use the temperature-dependent stretch.
using base_temperature_type::thermalStretch;

template <typename ArrayType>
ForceModel( const ArrayType _delta, const ArrayType _K,
const TemperatureType& _temp, const ArrayType _alpha,
const ArrayType _temp0, ParticleType& _type )
: base_type( _delta, _K, _type )
, base_temperature_type( _temp, _alpha, _temp0 )
{
}
};

template <typename ParticleType>
auto createForceModel( PMB, Elastic, TemperatureDependent,
ParticleType particles, const double delta,
Expand All @@ -371,12 +409,13 @@ auto createForceModel( PMB, Elastic, TemperatureDependent,
template <typename TemperatureType>
struct ForceModel<PMB, Fracture, TemperatureDependent, TemperatureType>
: public ForceModel<PMB, Fracture, TemperatureIndependent>,
BaseTemperatureModel<TemperatureType>
BaseTemperatureModel<TemperatureType, SingleSpecies>
{
using memory_space = typename TemperatureType::memory_space;
using base_type = ForceModel<PMB, Fracture, TemperatureIndependent>;
using species_type = typename base_type::species_type;
using base_temperature_type = BaseTemperatureModel<TemperatureType>;
using base_temperature_type =
BaseTemperatureModel<TemperatureType, SingleSpecies>;
using base_model = typename base_type::base_model;
using fracture_type = typename base_type::fracture_type;
using thermal_type = TemperatureDependent;
Expand All @@ -397,7 +436,6 @@ struct ForceModel<PMB, Fracture, TemperatureDependent, TemperatureType>
// Explicitly use the temperature-dependent stretch.
using base_temperature_type::thermalStretch;

// ForceModel(){};
ForceModel( const double _delta, const double _K, const double _G0,
const TemperatureType _temp, const double _alpha,
const double _temp0 = 0.0 )
Expand All @@ -417,6 +455,60 @@ struct ForceModel<PMB, Fracture, TemperatureDependent, TemperatureType>
}
};

template <typename TemperatureType, typename ParticleType>
struct ForceModel<PMB, Fracture, TemperatureDependent, TemperatureType,
ParticleType>
: public ForceModel<PMB, Fracture, TemperatureIndependent, ParticleType>,
BaseTemperatureModel<TemperatureType, ParticleType>
{
using memory_space = typename TemperatureType::memory_space;
using base_type =
ForceModel<PMB, Fracture, TemperatureIndependent, ParticleType>;
using species_type = typename base_type::species_type;
using base_temperature_type =
BaseTemperatureModel<TemperatureType, ParticleType>;
using base_model = typename base_type::base_model;
using fracture_type = typename base_type::fracture_type;
using thermal_type = TemperatureDependent;

using base_type::c;
using base_type::delta;
using base_type::K;
using base_type::type;

// Does not use the base bond_break_coeff.
using base_type::G0;
using base_type::s0;

// Thermal parameters
using base_temperature_type::alpha;
using base_temperature_type::temp0;
using base_temperature_type::temperature;

// Explicitly use the temperature-dependent stretch.
using base_temperature_type::thermalStretch;

template <typename ArrayType>
ForceModel( const ArrayType _delta, const ArrayType _K, const ArrayType _G0,
const TemperatureType _temp, const ArrayType _alpha,
const ArrayType _temp0, ParticleType& _type )
: base_type( _delta, _K, _G0, _type )
, base_temperature_type( _temp, _alpha, _temp0 )
{
}

KOKKOS_INLINE_FUNCTION
bool criticalStretch( const int i, const int j, const double r,
const double xi ) const
{
double temp_avg =
0.5 * ( temperature( i ) + temperature( j ) ) - temp0( type( i ) );
double bond_break_coeff = ( 1.0 + s0 + alpha( type( i ) ) * temp_avg ) *
( 1.0 + s0 + alpha( type( i ) ) * temp_avg );
return r * r >= bond_break_coeff * xi * xi;
}
};

template <typename ParticleType>
auto createForceModel( PMB, Fracture, ParticleType particles,
const double delta, const double K, const double G0,
Expand Down

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