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author | 2021-10-04 21:31:53 +0200 | |
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committer | 2021-10-04 12:31:53 -0700 | |
commit | d0cc41acec8fbba8d66fabd3351751adf00903d7 (patch) | |
tree | a81179ac9fa9df10a5f3eee4c62eee2812a5b2f2 /Source/Particles/Collision/BinaryCollision | |
parent | f32fca03f725afa92ee380884d86e116e265aee1 (diff) | |
download | WarpX-d0cc41acec8fbba8d66fabd3351751adf00903d7.tar.gz WarpX-d0cc41acec8fbba8d66fabd3351751adf00903d7.tar.zst WarpX-d0cc41acec8fbba8d66fabd3351751adf00903d7.zip |
Add structure for proton-boron fusion module (#2217)
* Add structure for proton-boron fusion module
* Fix clang compile error
* Generalize structure for other nuclear fusion types
* Workaround: try to use std::vectors to fix clang compile error
* Simplify workaround for clang
* Rebase on 2245 and add empty particle creation functor
* Apply suggestions from code review
Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja>
* Add couple of consts and runtime assert
* Add another const
Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja>
Diffstat (limited to 'Source/Particles/Collision/BinaryCollision')
13 files changed, 1495 insertions, 0 deletions
diff --git a/Source/Particles/Collision/BinaryCollision/BinaryCollision.H b/Source/Particles/Collision/BinaryCollision/BinaryCollision.H new file mode 100644 index 000000000..338ada68f --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/BinaryCollision.H @@ -0,0 +1,554 @@ +/* Copyright 2020-2021 Yinjian Zhao, David Grote, Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ +#ifndef WARPX_PARTICLES_COLLISION_BINARYCOLLISION_H_ +#define WARPX_PARTICLES_COLLISION_BINARYCOLLISION_H_ + +#include "Particles/Collision/BinaryCollision/NuclearFusionFunc.H" +#include "Particles/Collision/BinaryCollision/PairWiseCoulombCollisionFunc.H" +#include "Particles/Collision/BinaryCollision/ParticleCreationFunc.H" +#include "Particles/Collision/BinaryCollision/ShuffleFisherYates.H" +#include "Particles/Collision/CollisionBase.H" +#include "Particles/ParticleCreation/SmartCopy.H" +#include "Particles/ParticleCreation/SmartUtils.H" +#include "Particles/Pusher/GetAndSetPosition.H" +#include "Particles/MultiParticleContainer.H" +#include "Particles/WarpXParticleContainer.H" +#include "Utils/ParticleUtils.H" +#include "Utils/WarpXAlgorithmSelection.H" +#include "WarpX.H" + +#include "Particles/MultiParticleContainer_fwd.H" +#include "Particles/WarpXParticleContainer_fwd.H" + +#include <AMReX.H> +#include <AMReX_Algorithm.H> +#include <AMReX_BLassert.H> +#include <AMReX_Config.H> +#include <AMReX_DenseBins.H> +#include <AMReX_Extension.H> +#include <AMReX_Geometry.H> +#include <AMReX_GpuAtomic.H> +#include <AMReX_GpuContainers.H> +#include <AMReX_GpuControl.H> +#include <AMReX_GpuDevice.H> +#include <AMReX_GpuLaunch.H> +#include <AMReX_GpuQualifiers.H> +#include <AMReX_LayoutData.H> +#include <AMReX_MFIter.H> +#include <AMReX_PODVector.H> +#include <AMReX_ParmParse.H> +#include <AMReX_Particles.H> +#include <AMReX_ParticleTile.H> +#include <AMReX_Random.H> +#include <AMReX_REAL.H> +#include <AMReX_Scan.H> +#include <AMReX_Utility.H> +#include <AMReX_Vector.H> + +#include <AMReX_BaseFwd.H> + +#include <cmath> +#include <string> + +/** + * \brief This class performs generic binary collisions. + * + * \tparam CollisionFunctorType the type of the specific binary collision functor that acts on a + * single cell + * \tparam CopyTransformFunctorType the type of the second functor used in the case of + * particle creation + * + */ +template <typename CollisionFunctorType, + typename CopyTransformFunctorType = NoParticleCreationFunc> +class BinaryCollision final + : public CollisionBase +{ + // Define shortcuts for frequently-used type names + using ParticleType = WarpXParticleContainer::ParticleType; + using ParticleTileType = WarpXParticleContainer::ParticleTileType; + using ParticleBins = amrex::DenseBins<ParticleType>; + using SoaData_type = WarpXParticleContainer::ParticleTileType::ParticleTileDataType; + using index_type = ParticleBins::index_type; + +public: + /** + * \brief Constructor of the BinaryCollision class. + * + * @param collision_name the name of the collision + * + */ + BinaryCollision (std::string collision_name, MultiParticleContainer const * const mypc) + : CollisionBase(collision_name) + { + if(m_species_names.size() != 2) + amrex::Abort("Binary collision " + collision_name + " must have exactly two species."); + + if (m_species_names[0] == m_species_names[1]) + m_isSameSpecies = true; + else + m_isSameSpecies = false; + + m_binary_collision_functor = CollisionFunctorType(collision_name, mypc); + + amrex::ParmParse pp_collision_name(collision_name); + pp_collision_name.queryarr("product_species", m_product_species); + m_have_product_species = m_product_species.size() > 0; + m_copy_transform_functor = CopyTransformFunctorType(collision_name, mypc); + } + + virtual ~BinaryCollision () = default; + + /** Perform the collisions + * + * @param lev AMR level of the tile + * @param cur_time Current time + * @param mypc Container of species involved + * + */ + void doCollisions (amrex::Real cur_time, MultiParticleContainer* mypc) override + { + const amrex::Real dt = WarpX::GetInstance().getdt(0); + if ( int(std::floor(cur_time/dt)) % m_ndt != 0 ) return; + + auto& species1 = mypc->GetParticleContainerFromName(m_species_names[0]); + auto& species2 = mypc->GetParticleContainerFromName(m_species_names[1]); + + // In case of particle creation, create the necessary vectors + const int n_product_species = m_product_species.size(); + amrex::Vector<WarpXParticleContainer*> product_species_vector; + amrex::Vector<SmartCopy> copy_species1; + amrex::Vector<SmartCopy> copy_species2; + for (int i = 0; i < n_product_species; i++) + { + auto& product = mypc->GetParticleContainerFromName(m_product_species[i]); + product.defineAllParticleTiles(); + product_species_vector.push_back(&product); + SmartCopyFactory copy_factory_species1(species1, product); + SmartCopyFactory copy_factory_species2(species2, product); + copy_species1.push_back(copy_factory_species1.getSmartCopy()); + copy_species2.push_back(copy_factory_species2.getSmartCopy()); + } +#ifdef AMREX_USE_GPU + amrex::Gpu::DeviceVector<SmartCopy> device_copy_species1(n_product_species); + amrex::Gpu::DeviceVector<SmartCopy> device_copy_species2(n_product_species); + amrex::Gpu::copyAsync(amrex::Gpu::hostToDevice, copy_species1.begin(), + copy_species1.end(), device_copy_species1.begin()); + amrex::Gpu::copyAsync(amrex::Gpu::hostToDevice, copy_species2.begin(), + copy_species2.end(), device_copy_species2.begin()); + amrex::Gpu::streamSynchronize(); + auto copy_species1_data = device_copy_species1.data(); + auto copy_species2_data = device_copy_species2.data(); +#else + auto copy_species1_data = copy_species1.data(); + auto copy_species2_data = copy_species2.data(); +#endif + if (m_have_product_species){ + species1.defineAllParticleTiles(); + species2.defineAllParticleTiles(); + } + + // Enable tiling + amrex::MFItInfo info; + if (amrex::Gpu::notInLaunchRegion()) info.EnableTiling(species1.tile_size); + + // Loop over refinement levels + for (int lev = 0; lev <= species1.finestLevel(); ++lev){ + + amrex::LayoutData<amrex::Real>* cost = WarpX::getCosts(lev); + + // Loop over all grids/tiles at this level +#ifdef AMREX_USE_OMP + info.SetDynamic(true); +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi = species1.MakeMFIter(lev, info); mfi.isValid(); ++mfi){ + if (cost && WarpX::load_balance_costs_update_algo == LoadBalanceCostsUpdateAlgo::Timers) + { + amrex::Gpu::synchronize(); + } + amrex::Real wt = amrex::second(); + + doCollisionsWithinTile( lev, mfi, species1, species2, product_species_vector, + copy_species1_data, copy_species2_data); + + if (cost && WarpX::load_balance_costs_update_algo == LoadBalanceCostsUpdateAlgo::Timers) + { + amrex::Gpu::synchronize(); + wt = amrex::second() - wt; + amrex::HostDevice::Atomic::Add( &(*cost)[mfi.index()], wt); + } + } + } + } + + /** Perform all binary collisions within a tile + * + * \param mfi iterator for multifab + * \param species_1 first species container + * \param species_2 second species container + * \param product_species_vector vector of pointers to product species containers + * \param copy_species1 vector of SmartCopy functors used to copy species 1 to product species + * \param copy_species2 vector of SmartCopy functors used to copy species 2 to product species + * + */ + void doCollisionsWithinTile ( + int const lev, amrex::MFIter const& mfi, + WarpXParticleContainer& species_1, + WarpXParticleContainer& species_2, + amrex::Vector<WarpXParticleContainer*> product_species_vector, + SmartCopy* copy_species1, SmartCopy* copy_species2) + { + using namespace ParticleUtils; + using namespace amrex::literals; + + int const ndt = m_ndt; + CollisionFunctorType binary_collision_functor = m_binary_collision_functor; + const bool have_product_species = m_have_product_species; + + // Store product species data in vectors + const int n_product_species = m_product_species.size(); + amrex::Vector<SoaData_type> soa_products; + amrex::Vector<GetParticlePosition> get_position_products; + amrex::Vector<index_type> products_np; + constexpr int getpos_offset = 0; + for (int i = 0; i < n_product_species; i++) + { + ParticleTileType& ptile_product = product_species_vector[i]->ParticlesAt(lev, mfi); + soa_products.push_back(ptile_product.getParticleTileData()); + get_position_products.push_back(GetParticlePosition(ptile_product, + getpos_offset)); + products_np.push_back(ptile_product.numParticles()); + } +#ifdef AMREX_USE_GPU + amrex::Gpu::DeviceVector<SoaData_type> device_soa_products(n_product_species); + amrex::Gpu::DeviceVector<GetParticlePosition> device_get_position_products(n_product_species); + amrex::Gpu::DeviceVector<index_type> device_products_np(n_product_species); + amrex::Gpu::copyAsync(amrex::Gpu::hostToDevice, soa_products.begin(), + soa_products.end(), + device_soa_products.begin()); + amrex::Gpu::copyAsync(amrex::Gpu::hostToDevice, get_position_products.begin(), + get_position_products.end(), + device_get_position_products.begin()); + amrex::Gpu::copyAsync(amrex::Gpu::hostToDevice, products_np.begin(), + products_np.end(), + device_products_np.begin()); + amrex::Gpu::streamSynchronize(); + auto soa_products_data = device_soa_products.data(); + auto get_position_products_data = device_get_position_products.data(); + auto products_np_data = device_products_np.data(); +#else + auto soa_products_data = soa_products.data(); + auto get_position_products_data = get_position_products.data(); + auto products_np_data = products_np.data(); +#endif + + if ( m_isSameSpecies ) // species_1 == species_2 + { + // Extract particles in the tile that `mfi` points to + ParticleTileType& ptile_1 = species_1.ParticlesAt(lev, mfi); + + // Find the particles that are in each cell of this tile + ParticleBins bins_1 = findParticlesInEachCell( lev, mfi, ptile_1 ); + + // Loop over cells, and collide the particles in each cell + + // Extract low-level data + int const n_cells = bins_1.numBins(); + // - Species 1 + const auto soa_1 = ptile_1.getParticleTileData(); + index_type* indices_1 = bins_1.permutationPtr(); + index_type const* cell_offsets_1 = bins_1.offsetsPtr(); + amrex::Real q1 = species_1.getCharge(); + amrex::Real m1 = species_1.getMass(); + auto get_position_1 = GetParticlePosition(ptile_1, getpos_offset); + + const amrex::Real dt = WarpX::GetInstance().getdt(lev); + amrex::Geometry const& geom = WarpX::GetInstance().Geom(lev); +#if defined WARPX_DIM_XZ + auto dV = geom.CellSize(0) * geom.CellSize(1); +#elif defined WARPX_DIM_RZ + amrex::Box const& cbx = mfi.tilebox(amrex::IntVect::TheZeroVector()); //Cell-centered box + const auto lo = lbound(cbx); + const auto hi = ubound(cbx); + int const nz = hi.y-lo.y+1; + auto dr = geom.CellSize(0); + auto dz = geom.CellSize(1); +#elif (AMREX_SPACEDIM == 3) + auto dV = geom.CellSize(0) * geom.CellSize(1) * geom.CellSize(2); +#endif + + + /* + The following calculations are only required when creating product particles + */ + const int n_cells_products = have_product_species ? n_cells: 0; + amrex::Gpu::DeviceVector<index_type> n_pairs_in_each_cell(n_cells_products); + auto p_n_pairs_in_each_cell = n_pairs_in_each_cell.dataPtr(); + + // Compute how many pairs in each cell and store in n_pairs_in_each_cell array + // For a single species, the number of pair in a cell is half the number of particles + // in that cell, rounded up to the next higher integer. + amrex::ParallelFor( n_cells_products, + [=] AMREX_GPU_DEVICE (int i_cell) noexcept + { + const auto n_part_in_cell = cell_offsets_1[i_cell+1] - cell_offsets_1[i_cell]; + // Particular case: if there's only 1 particle in a cell, then there's no pair + p_n_pairs_in_each_cell[i_cell] = (n_part_in_cell == 1)? 0: (n_part_in_cell+1)/2; + } + ); + + // Start indices of the pairs in a cell. Will be used for particle creation. + amrex::Gpu::DeviceVector<index_type> pair_offsets(n_cells_products); + const auto n_total_pairs = amrex::Scan::ExclusiveSum(n_cells_products, + p_n_pairs_in_each_cell, pair_offsets.data()); + auto p_pair_offsets = pair_offsets.dataPtr(); + + // mask: equal to 1 if particle creation occurs for a given pair, 0 otherwise + amrex::Gpu::DeviceVector<index_type> mask(n_total_pairs); + auto p_mask = mask.dataPtr(); + // Will be filled with the index of the first particle of a given pair + amrex::Gpu::DeviceVector<index_type> pair_indices_1(n_total_pairs); + auto p_pair_indices_1 = pair_indices_1.dataPtr(); + // Will be filled with the index of the second particle of a given pair + amrex::Gpu::DeviceVector<index_type> pair_indices_2(n_total_pairs); + auto p_pair_indices_2 = pair_indices_2.dataPtr(); + // How much weight should be given to the produced particles (and removed from the + // reacting particles) + amrex::Gpu::DeviceVector<amrex::ParticleReal> pair_reaction_weight(n_total_pairs); + auto p_pair_reaction_weight = pair_reaction_weight.dataPtr(); + /* + End of calculations only required when creating product particles + */ + + + // Loop over cells + amrex::ParallelForRNG( n_cells, + [=] AMREX_GPU_DEVICE (int i_cell, amrex::RandomEngine const& engine) noexcept + { + // The particles from species1 that are in the cell `i_cell` are + // given by the `indices_1[cell_start_1:cell_stop_1]` + index_type const cell_start_1 = cell_offsets_1[i_cell]; + index_type const cell_stop_1 = cell_offsets_1[i_cell+1]; + index_type const cell_half_1 = (cell_start_1+cell_stop_1)/2; + + // Same but for the pairs + index_type const cell_start_pair = have_product_species? + p_pair_offsets[i_cell] : 0; + + // Do not collide if there is only one particle in the cell + if ( cell_stop_1 - cell_start_1 <= 1 ) return; + + // shuffle + ShuffleFisherYates( + indices_1, cell_start_1, cell_half_1, engine ); +#if defined WARPX_DIM_RZ + int ri = (i_cell - i_cell%nz) / nz; + auto dV = MathConst::pi*(2.0_rt*ri+1.0_rt)*dr*dr*dz; +#endif + // Call the function in order to perform collisions + // If there are product species, mask, p_pair_indices_1/2, and + // p_pair_reaction_weight are filled here + binary_collision_functor( + cell_start_1, cell_half_1, + cell_half_1, cell_stop_1, + indices_1, indices_1, + soa_1, soa_1, get_position_1, get_position_1, + q1, q1, m1, m1, dt*ndt, dV, + cell_start_pair, p_mask, p_pair_indices_1, p_pair_indices_2, + p_pair_reaction_weight, engine ); + } + ); + + // Create the new product particles and define their initial values + // num_added: how many particles of each product species have been created + const amrex::Vector<int> num_added = m_copy_transform_functor(soa_1, soa_1, + soa_products_data, + get_position_1, get_position_1, + get_position_products_data, + p_mask, products_np_data, + copy_species1, copy_species2, + p_pair_indices_1, p_pair_indices_2, + p_pair_reaction_weight); + + for (int i = 0; i < n_product_species; i++) + { + ParticleTileType& ptile_product = product_species_vector[i]->ParticlesAt(lev, mfi); + setNewParticleIDs(ptile_product, products_np[i], num_added[i]); + } + } + else // species_1 != species_2 + { + // Extract particles in the tile that `mfi` points to + ParticleTileType& ptile_1 = species_1.ParticlesAt(lev, mfi); + ParticleTileType& ptile_2 = species_2.ParticlesAt(lev, mfi); + + // Find the particles that are in each cell of this tile + ParticleBins bins_1 = findParticlesInEachCell( lev, mfi, ptile_1 ); + ParticleBins bins_2 = findParticlesInEachCell( lev, mfi, ptile_2 ); + + // Loop over cells, and collide the particles in each cell + + // Extract low-level data + int const n_cells = bins_1.numBins(); + // - Species 1 + const auto soa_1 = ptile_1.getParticleTileData(); + index_type* indices_1 = bins_1.permutationPtr(); + index_type const* cell_offsets_1 = bins_1.offsetsPtr(); + amrex::Real q1 = species_1.getCharge(); + amrex::Real m1 = species_1.getMass(); + auto get_position_1 = GetParticlePosition(ptile_1, getpos_offset); + // - Species 2 + const auto soa_2 = ptile_2.getParticleTileData(); + index_type* indices_2 = bins_2.permutationPtr(); + index_type const* cell_offsets_2 = bins_2.offsetsPtr(); + amrex::Real q2 = species_2.getCharge(); + amrex::Real m2 = species_2.getMass(); + auto get_position_2 = GetParticlePosition(ptile_2, getpos_offset); + + const amrex::Real dt = WarpX::GetInstance().getdt(lev); + amrex::Geometry const& geom = WarpX::GetInstance().Geom(lev); +#if defined WARPX_DIM_XZ + auto dV = geom.CellSize(0) * geom.CellSize(1); +#elif defined WARPX_DIM_RZ + amrex::Box const& cbx = mfi.tilebox(amrex::IntVect::TheZeroVector()); //Cell-centered box + const auto lo = lbound(cbx); + const auto hi = ubound(cbx); + int nz = hi.y-lo.y+1; + auto dr = geom.CellSize(0); + auto dz = geom.CellSize(1); +#elif (AMREX_SPACEDIM == 3) + auto dV = geom.CellSize(0) * geom.CellSize(1) * geom.CellSize(2); +#endif + + + /* + The following calculations are only required when creating product particles + */ + const int n_cells_products = have_product_species ? n_cells: 0; + amrex::Gpu::DeviceVector<index_type> n_pairs_in_each_cell(n_cells_products); + auto p_n_pairs_in_each_cell = n_pairs_in_each_cell.dataPtr(); + + // Compute how many pairs in each cell and store in n_pairs_in_each_cell array + // For different species, the number of pairs in a cell is the number of particles of + // the species that has the most particles in that cell + amrex::ParallelFor( n_cells_products, + [=] AMREX_GPU_DEVICE (int i_cell) noexcept + { + const auto n_part_in_cell_1 = cell_offsets_1[i_cell+1] - cell_offsets_1[i_cell]; + const auto n_part_in_cell_2 = cell_offsets_2[i_cell+1] - cell_offsets_2[i_cell]; + // Particular case: no pair if a species has no particle in that cell + if (n_part_in_cell_1 == 0 || n_part_in_cell_2 == 0) + p_n_pairs_in_each_cell[i_cell] = 0; + else + p_n_pairs_in_each_cell[i_cell] = + amrex::max(n_part_in_cell_1,n_part_in_cell_2); + } + ); + + // Start indices of the pairs in a cell. Will be used for particle creation + amrex::Gpu::DeviceVector<index_type> pair_offsets(n_cells_products); + auto n_total_pairs = amrex::Scan::ExclusiveSum(n_cells_products, + p_n_pairs_in_each_cell, pair_offsets.data()); + auto p_pair_offsets = pair_offsets.dataPtr(); + + // mask: equal to 1 if particle creation occurs for a given pair, 0 otherwise + amrex::Gpu::DeviceVector<index_type> mask(n_total_pairs); + auto p_mask = mask.dataPtr(); + // Will be filled with the index of the first particle of a given pair + amrex::Gpu::DeviceVector<index_type> pair_indices_1(n_total_pairs); + auto p_pair_indices_1 = pair_indices_1.dataPtr(); + // Will be filled with the index of the second particle of a given pair + amrex::Gpu::DeviceVector<index_type> pair_indices_2(n_total_pairs); + auto p_pair_indices_2 = pair_indices_2.dataPtr(); + // How much weight should be given to the produced particles (and removed from the + // reacting particles) + amrex::Gpu::DeviceVector<amrex::ParticleReal> pair_reaction_weight(n_total_pairs); + auto p_pair_reaction_weight = pair_reaction_weight.dataPtr(); + /* + End of calculations only required when creating product particles + */ + + + // Loop over cells + amrex::ParallelForRNG( n_cells, + [=] AMREX_GPU_DEVICE (int i_cell, amrex::RandomEngine const& engine) noexcept + { + // The particles from species1 that are in the cell `i_cell` are + // given by the `indices_1[cell_start_1:cell_stop_1]` + index_type const cell_start_1 = cell_offsets_1[i_cell]; + index_type const cell_stop_1 = cell_offsets_1[i_cell+1]; + // Same for species 2 + index_type const cell_start_2 = cell_offsets_2[i_cell]; + index_type const cell_stop_2 = cell_offsets_2[i_cell+1]; + // Same but for the pairs + index_type const cell_start_pair = have_product_species? + p_pair_offsets[i_cell] : 0; + + // ux from species1 can be accessed like this: + // ux_1[ indices_1[i] ], where i is between + // cell_start_1 (inclusive) and cell_start_2 (exclusive) + + // Do not collide if one species is missing in the cell + if ( cell_stop_1 - cell_start_1 < 1 || + cell_stop_2 - cell_start_2 < 1 ) return; + + // shuffle + ShuffleFisherYates(indices_1, cell_start_1, cell_stop_1, engine); + ShuffleFisherYates(indices_2, cell_start_2, cell_stop_2, engine); +#if defined WARPX_DIM_RZ + int ri = (i_cell - i_cell%nz) / nz; + auto dV = MathConst::pi*(2.0_rt*ri+1.0_rt)*dr*dr*dz; +#endif + // Call the function in order to perform collisions + // If there are product species, p_mask, p_pair_indices_1/2, and + // p_pair_reaction_weight are filled here + binary_collision_functor( + cell_start_1, cell_stop_1, cell_start_2, cell_stop_2, + indices_1, indices_2, + soa_1, soa_2, get_position_1, get_position_2, + q1, q2, m1, m2, dt*ndt, dV, + cell_start_pair, p_mask, p_pair_indices_1, p_pair_indices_2, + p_pair_reaction_weight, engine ); + } + ); + + + // Create the new product particles and define their initial values + // num_added: how many particles of each product species have been created + const amrex::Vector<int> num_added = m_copy_transform_functor(soa_1, soa_2, + soa_products_data, + get_position_1, get_position_2, + get_position_products_data, + p_mask, products_np_data, + copy_species1, copy_species2, + p_pair_indices_1, p_pair_indices_2, + p_pair_reaction_weight); + + for (int i = 0; i < n_product_species; i++) + { + ParticleTileType& ptile_product = product_species_vector[i]->ParticlesAt(lev, mfi); + setNewParticleIDs(ptile_product, products_np[i], num_added[i]); + } + + } // end if ( m_isSameSpecies) + + } + +private: + + bool m_isSameSpecies; + bool m_have_product_species; + amrex::Vector<std::string> m_product_species; + // functor that performs collisions within a cell + CollisionFunctorType m_binary_collision_functor; + // functor that creates new particles and initializes their parameters + CopyTransformFunctorType m_copy_transform_functor; + +}; + +#endif // WARPX_PARTICLES_COLLISION_BINARYCOLLISION_H_ diff --git a/Source/Particles/Collision/BinaryCollision/BinaryCollisionUtils.H b/Source/Particles/Collision/BinaryCollision/BinaryCollisionUtils.H new file mode 100644 index 000000000..c20e9716c --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/BinaryCollisionUtils.H @@ -0,0 +1,30 @@ +/* Copyright 2021 Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ + +#ifndef BINARY_COLLISION_UTILS_H_ +#define BINARY_COLLISION_UTILS_H_ + +#include <string> + +#include "Particles/MultiParticleContainer.H" + +enum struct CollisionType { ProtonBoronFusion, Undefined }; + +enum struct NuclearFusionType { ProtonBoron, Undefined }; + +namespace BinaryCollisionUtils{ + + NuclearFusionType get_nuclear_fusion_type (const std::string collision_name, + MultiParticleContainer const * const mypc); + + CollisionType get_collision_type (const std::string collision_name, + MultiParticleContainer const * const mypc); + + CollisionType nuclear_fusion_type_to_collision_type (const NuclearFusionType fusion_type); +} + +#endif // BINARY_COLLISION_UTILS_H_ diff --git a/Source/Particles/Collision/BinaryCollision/BinaryCollisionUtils.cpp b/Source/Particles/Collision/BinaryCollision/BinaryCollisionUtils.cpp new file mode 100644 index 000000000..fc70b39ca --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/BinaryCollisionUtils.cpp @@ -0,0 +1,64 @@ +/* Copyright 2021 Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ + +#include "BinaryCollisionUtils.H" + +#include "Particles/MultiParticleContainer.H" +#include "Particles/WarpXParticleContainer.H" + +#include <AMReX_ParmParse.H> +#include <AMReX_Vector.H> + +#include <string> + +namespace BinaryCollisionUtils{ + + NuclearFusionType get_nuclear_fusion_type (const std::string collision_name, + MultiParticleContainer const * const mypc) + { + amrex::ParmParse pp_collision_name(collision_name); + amrex::Vector<std::string> species_names; + pp_collision_name.getarr("species", species_names); + auto& species1 = mypc->GetParticleContainerFromName(species_names[0]); + auto& species2 = mypc->GetParticleContainerFromName(species_names[1]); + + if ((species1.AmIA<PhysicalSpecies::hydrogen>() && species2.AmIA<PhysicalSpecies::boron>()) + || + (species1.AmIA<PhysicalSpecies::boron>() && species2.AmIA<PhysicalSpecies::hydrogen>()) + ) + { + return NuclearFusionType::ProtonBoron; + } + amrex::Abort("Binary nuclear fusion not implemented between species " + + species_names[0] + " of type " + species1.getSpeciesTypeName() + + " and species " + species_names[1] + " of type " + + species2.getSpeciesTypeName()); + return NuclearFusionType::Undefined; + } + + CollisionType get_collision_type (const std::string collision_name, + MultiParticleContainer const * const mypc) + { + amrex::ParmParse pp_collision_name(collision_name); + std::string type; + pp_collision_name.get("type", type); + if (type == "nuclearfusion") { + NuclearFusionType fusion_type = get_nuclear_fusion_type(collision_name, mypc); + return nuclear_fusion_type_to_collision_type(fusion_type); + } + amrex::Abort(type + " is not a valid type of collision that creates new particles"); + return CollisionType::Undefined; + } + + CollisionType nuclear_fusion_type_to_collision_type (const NuclearFusionType fusion_type) + { + if (fusion_type == NuclearFusionType::ProtonBoron) + return CollisionType::ProtonBoronFusion; + amrex::Abort("Invalid nuclear fusion type"); + return CollisionType::Undefined; + } +} diff --git a/Source/Particles/Collision/BinaryCollision/CMakeLists.txt b/Source/Particles/Collision/BinaryCollision/CMakeLists.txt new file mode 100644 index 000000000..c9a632f2e --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/CMakeLists.txt @@ -0,0 +1,6 @@ +target_sources(WarpX + PRIVATE + BinaryCollisionUtils.cpp + ParticleCreationFunc.cpp +) + diff --git a/Source/Particles/Collision/BinaryCollision/ComputeTemperature.H b/Source/Particles/Collision/BinaryCollision/ComputeTemperature.H new file mode 100644 index 000000000..50e1f4a4b --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/ComputeTemperature.H @@ -0,0 +1,47 @@ +/* Copyright 2019-2020 Andrew Myers, Yinjian Zhao + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ +#ifndef WARPX_PARTICLES_COLLISION_COMPUTE_TEMPERATURE_H_ +#define WARPX_PARTICLES_COLLISION_COMPUTE_TEMPERATURE_H_ + +#include "Utils/WarpXConst.H" + + +template <typename T_index, typename T_R> +AMREX_GPU_HOST_DEVICE +T_R ComputeTemperature ( + T_index const Is, T_index const Ie, T_index const *I, + T_R const *ux, T_R const *uy, T_R const *uz, T_R const m ) +{ + + T_R constexpr inv_c2 = T_R(1.0) / ( PhysConst::c * PhysConst::c ); + + int N = Ie - Is; + if ( N == 0 ) { return T_R(0.0); } + + T_R vx = T_R(0.0); T_R vy = T_R(0.0); + T_R vz = T_R(0.0); T_R vs = T_R(0.0); + T_R gm = T_R(0.0); T_R us = T_R(0.0); + + for (int i = Is; i < static_cast<int>(Ie); ++i) + { + us = ( ux[ I[i] ] * ux[ I[i] ] + + uy[ I[i] ] * uy[ I[i] ] + + uz[ I[i] ] * uz[ I[i] ] ); + gm = std::sqrt( T_R(1.0) + us*inv_c2 ); + vx += ux[ I[i] ] / gm; + vy += uy[ I[i] ] / gm; + vz += uz[ I[i] ] / gm; + vs += us / gm / gm; + } + + vx = vx / N; vy = vy / N; + vz = vz / N; vs = vs / N; + + return m/T_R(3.0)*(vs-(vx*vx+vy*vy+vz*vz)); +} + +#endif // WARPX_PARTICLES_COLLISION_COMPUTE_TEMPERATURE_H_ diff --git a/Source/Particles/Collision/BinaryCollision/ElasticCollisionPerez.H b/Source/Particles/Collision/BinaryCollision/ElasticCollisionPerez.H new file mode 100644 index 000000000..bee415860 --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/ElasticCollisionPerez.H @@ -0,0 +1,126 @@ +/* Copyright 2019 Yinjian Zhao + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ +#ifndef WARPX_PARTICLES_COLLISION_ELASTIC_COLLISION_PEREZ_H_ +#define WARPX_PARTICLES_COLLISION_ELASTIC_COLLISION_PEREZ_H_ + +#include "ComputeTemperature.H" +#include "UpdateMomentumPerezElastic.H" +#include "Particles/WarpXParticleContainer.H" +#include "Utils/WarpXConst.H" + +#include <AMReX_Random.H> + + +/** \brief Prepare information for and call + * UpdateMomentumPerezElastic(). + * @param[in] I1s,I2s is the start index for I1,I2 (inclusive). + * @param[in] I1e,I2e is the stop index for I1,I2 (exclusive). + * @param[in] I1 and I2 are the index arrays. They determine all elements that will be used. + * @param[in,out] u1 and u2 are the velocity arrays (u=v*gamma), + * they could be either different or the same, + * their lengths are not needed, + * @param[in] w1 and w2 are arrays of weights. + * @param[in] q1 and q2 are charges. m1 and m2 are masses. + * @param[in] T1 and T2 are temperatures (Joule) + * and will be used if greater than zero, + * otherwise will be computed. + * @param[in] dt is the time step length between two collision calls. + * @param[in] L is the Coulomb log and will be used if greater than zero, + * otherwise will be computed. + * @param[in] dV is the volume of the corresponding cell. +*/ + +template <typename T_index, typename T_R, typename SoaData_type> +AMREX_GPU_HOST_DEVICE AMREX_INLINE +void ElasticCollisionPerez ( + T_index const I1s, T_index const I1e, + T_index const I2s, T_index const I2e, + T_index *I1, T_index *I2, + SoaData_type soa_1, SoaData_type soa_2, + T_R const q1, T_R const q2, + T_R const m1, T_R const m2, + T_R const T1, T_R const T2, + T_R const dt, T_R const L, T_R const dV, + amrex::RandomEngine const& engine) +{ + int NI1 = I1e - I1s; + int NI2 = I2e - I2s; + + T_R * const AMREX_RESTRICT w1 = soa_1.m_rdata[PIdx::w]; + T_R * const AMREX_RESTRICT u1x = soa_1.m_rdata[PIdx::ux]; + T_R * const AMREX_RESTRICT u1y = soa_1.m_rdata[PIdx::uy]; + T_R * const AMREX_RESTRICT u1z = soa_1.m_rdata[PIdx::uz]; + + T_R * const AMREX_RESTRICT w2 = soa_2.m_rdata[PIdx::w]; + T_R * const AMREX_RESTRICT u2x = soa_2.m_rdata[PIdx::ux]; + T_R * const AMREX_RESTRICT u2y = soa_2.m_rdata[PIdx::uy]; + T_R * const AMREX_RESTRICT u2z = soa_2.m_rdata[PIdx::uz]; + + // get local T1t and T2t + T_R T1t; T_R T2t; + if ( T1 <= T_R(0.0) && L <= T_R(0.0) ) + { + T1t = ComputeTemperature(I1s,I1e,I1,u1x,u1y,u1z,m1); + } + else { T1t = T1; } + if ( T2 <= T_R(0.0) && L <= T_R(0.0) ) + { + T2t = ComputeTemperature(I2s,I2e,I2,u2x,u2y,u2z,m2); + } + else { T2t = T2; } + + // local density + T_R n1 = T_R(0.0); + T_R n2 = T_R(0.0); + T_R n12 = T_R(0.0); + for (int i1=I1s; i1<static_cast<int>(I1e); ++i1) { n1 += w1[ I1[i1] ]; } + for (int i2=I2s; i2<static_cast<int>(I2e); ++i2) { n2 += w2[ I2[i2] ]; } + n1 = n1 / dV; n2 = n2 / dV; + { + int i1 = I1s; int i2 = I2s; + for (int k = 0; k < amrex::max(NI1,NI2); ++k) + { + n12 += amrex::min( w1[ I1[i1] ], w2[ I2[i2] ] ); + ++i1; if ( i1 == static_cast<int>(I1e) ) { i1 = I1s; } + ++i2; if ( i2 == static_cast<int>(I2e) ) { i2 = I2s; } + } + n12 = n12 / dV; + } + + // compute Debye length lmdD + T_R lmdD; + if ( T1t < T_R(0.0) || T2t < T_R(0.0) ) { + lmdD = T_R(0.0); + } + else { + lmdD = T_R(1.0)/std::sqrt( n1*q1*q1/(T1t*PhysConst::ep0) + + n2*q2*q2/(T2t*PhysConst::ep0) ); + } + T_R rmin = std::pow( T_R(4.0) * MathConst::pi / T_R(3.0) * + amrex::max(n1,n2), T_R(-1.0/3.0) ); + lmdD = amrex::max(lmdD, rmin); + + // call UpdateMomentumPerezElastic() + { + int i1 = I1s; int i2 = I2s; + for (int k = 0; k < amrex::max(NI1,NI2); ++k) + { + UpdateMomentumPerezElastic( + u1x[ I1[i1] ], u1y[ I1[i1] ], u1z[ I1[i1] ], + u2x[ I2[i2] ], u2y[ I2[i2] ], u2z[ I2[i2] ], + n1, n2, n12, + q1, m1, w1[ I1[i1] ], q2, m2, w2[ I2[i2] ], + dt, L, lmdD, + engine); + ++i1; if ( i1 == static_cast<int>(I1e) ) { i1 = I1s; } + ++i2; if ( i2 == static_cast<int>(I2e) ) { i2 = I2s; } + } + } + +} + +#endif // WARPX_PARTICLES_COLLISION_ELASTIC_COLLISION_PEREZ_H_ diff --git a/Source/Particles/Collision/BinaryCollision/Make.package b/Source/Particles/Collision/BinaryCollision/Make.package new file mode 100644 index 000000000..92e2f0b5d --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/Make.package @@ -0,0 +1,4 @@ +CEXE_sources += BinaryCollisionUtils.cpp +CEXE_sources += ParticleCreationFunc.cpp + +VPATH_LOCATIONS += $(WARPX_HOME)/Source/Particles/Collision/BinaryCollision diff --git a/Source/Particles/Collision/BinaryCollision/NuclearFusionFunc.H b/Source/Particles/Collision/BinaryCollision/NuclearFusionFunc.H new file mode 100644 index 000000000..6dfe718a0 --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/NuclearFusionFunc.H @@ -0,0 +1,104 @@ +/* Copyright 2021 Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ + +#ifndef NUCLEAR_FUSION_FUNC_H_ +#define NUCLEAR_FUSION_FUNC_H_ + +#include "BinaryCollisionUtils.H" + +#include "Particles/Pusher/GetAndSetPosition.H" +#include "Particles/MultiParticleContainer.H" +#include "Particles/WarpXParticleContainer.H" +#include "Utils/WarpXUtil.H" +#include "WarpX.H" + +#include <AMReX_DenseBins.H> +#include <AMReX_ParmParse.H> +#include <AMReX_Random.H> +#include <AMReX_REAL.H> +#include <AMReX_Vector.H> + +/** + * \brief This functor does binary nuclear fusions on a single cell. + * Particles of the two reacting species are paired with each other and for each pair we compute + * if a fusion event occurs. If so, we fill a mask (input parameter p_mask) with true so that + * product particles corresponding to a given pair can be effectively created in the particle + * creation functor. + * This functor also reads and contains the fusion multiplier. + */ +class NuclearFusionFunc{ + // Define shortcuts for frequently-used type names + using ParticleType = WarpXParticleContainer::ParticleType; + using ParticleBins = amrex::DenseBins<ParticleType>; + using index_type = ParticleBins::index_type; + using SoaData_type = WarpXParticleContainer::ParticleTileType::ParticleTileDataType; + +public: + /** + * \brief Default constructor of the NuclearFusionFunc class. + */ + NuclearFusionFunc () = default; + + /** + * \brief Constructor of the NuclearFusionFunc class + * + * @param[in] collision_name the name of the collision + * @param[in] mypc pointer to the MultiParticleContainer + */ + NuclearFusionFunc (const std::string collision_name, MultiParticleContainer const * const mypc) + { + using namespace amrex::literals; + + m_fusion_type = BinaryCollisionUtils::get_nuclear_fusion_type(collision_name, mypc); + + amrex::ParmParse pp_collision_name(collision_name); + amrex::Vector<std::string> product_species_name; + pp_collision_name.getarr("product_species", product_species_name); + + if (m_fusion_type == NuclearFusionType::ProtonBoron) + { + AMREX_ALWAYS_ASSERT_WITH_MESSAGE( + product_species_name.size() == 1, + "ERROR: Proton-boron must contain exactly one product species"); + auto& product_species = mypc->GetParticleContainerFromName(product_species_name[0]); + AMREX_ALWAYS_ASSERT_WITH_MESSAGE( + product_species.AmIA<PhysicalSpecies::helium>(), + "ERROR: Product species of proton-boron fusion must be of type helium"); + } + + // default fusion multiplier + m_fusion_multiplier = 1.0_rt; + queryWithParser(pp_collision_name, "fusion_multiplier", m_fusion_multiplier); + } + + /** + * \brief operator() of the NuclearFusionFunc class. Needs to be implemented. + */ + AMREX_GPU_HOST_DEVICE AMREX_INLINE + void operator() ( + index_type const /*I1s*/, index_type const /*I1e*/, + index_type const /*I2s*/, index_type const /*I2e*/, + index_type* /*I1*/, index_type* /*I2*/, + SoaData_type /*soa_1*/, SoaData_type /*soa_2*/, + GetParticlePosition /*get_position_1*/, GetParticlePosition /*get_position_2*/, + amrex::Real const /*q1*/, amrex::Real const /*q2*/, + amrex::Real const /*m1*/, amrex::Real const /*m2*/, + amrex::Real const /*dt*/, amrex::Real const /*dV*/, + index_type const /*cell_start_pair*/, index_type* /*p_mask*/, + index_type* /*p_pair_indices_1*/, index_type* /*p_pair_indices_2*/, + amrex::ParticleReal* /*p_pair_reaction_weight*/, + amrex::RandomEngine const& /*engine*/) const + { + amrex::Abort("Nuclear fusion module not yet implemented"); + } + +private: + amrex::Real m_fusion_multiplier; + NuclearFusionType m_fusion_type; +}; + +#endif // NUCLEAR_FUSION_FUNC_H_ diff --git a/Source/Particles/Collision/BinaryCollision/PairWiseCoulombCollisionFunc.H b/Source/Particles/Collision/BinaryCollision/PairWiseCoulombCollisionFunc.H new file mode 100644 index 000000000..086803bba --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/PairWiseCoulombCollisionFunc.H @@ -0,0 +1,96 @@ +/* Copyright 2021 Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ + +#ifndef PAIRWISE_COULOMB_COLLISION_FUNC_H_ +#define PAIRWISE_COULOMB_COLLISION_FUNC_H_ + +#include "ElasticCollisionPerez.H" +#include "Particles/Pusher/GetAndSetPosition.H" +#include "Particles/WarpXParticleContainer.H" +#include "Utils/WarpXUtil.H" + +#include <AMReX_DenseBins.H> +#include <AMReX_ParmParse.H> +#include <AMReX_Random.H> +#include <AMReX_REAL.H> + + +/** + * \brief This functor performs pairwise Coulomb collision on a single cell by calling the function + * ElasticCollisionPerez. It also reads and contains the Coulomb logarithm. + */ +class PairWiseCoulombCollisionFunc{ + // Define shortcuts for frequently-used type names + using ParticleType = WarpXParticleContainer::ParticleType; + using ParticleBins = amrex::DenseBins<ParticleType>; + using index_type = ParticleBins::index_type; + using SoaData_type = WarpXParticleContainer::ParticleTileType::ParticleTileDataType; + +public: + /** + * \brief Default constructor of the PairWiseCoulombCollisionFunc class. + */ + PairWiseCoulombCollisionFunc () = default; + + /** + * \brief Constructor of the PairWiseCoulombCollisionFunc class + * + * @param[in] collision_name the name of the collision + */ + PairWiseCoulombCollisionFunc (const std::string collision_name, + MultiParticleContainer const * const /*mypc*/) + { + using namespace amrex::literals; + amrex::ParmParse pp_collision_name(collision_name); + // default Coulomb log, if < 0, will be computed automatically + m_CoulombLog = -1.0_rt; + queryWithParser(pp_collision_name, "CoulombLog", m_CoulombLog); + } + + /** + * \brief operator() of the PairWiseCoulombCollisionFunc class. Performs Coulomb collisions + * at the cell level by calling ElasticCollisionPerez. + * + * @param[in] I1s,I2s is the start index for I1,I2 (inclusive). + * @param[in] I1e,I2e is the stop index for I1,I2 (exclusive). + * @param[in] I1 and I2 are the index arrays. They determine all elements that will be used. + * @param[in,out] u1 and u2 are the velocity arrays (u=v*gamma), + * they could be either different or the same, + * their lengths are not needed, + * @param[in] w1 and w2 are arrays of weights. + * @param[in] q1 and q2 are charges. m1 and m2 are masses. + * @param[in] dt is the time step length between two collision calls. + * @param[in] dV is the volume of the corresponding cell. + * @param[in] engine the random engine. + */ + AMREX_GPU_HOST_DEVICE AMREX_INLINE + void operator() ( + index_type const I1s, index_type const I1e, + index_type const I2s, index_type const I2e, + index_type* I1, index_type* I2, + SoaData_type soa_1, SoaData_type soa_2, + GetParticlePosition /*get_position_1*/, GetParticlePosition /*get_position_2*/, + amrex::Real const q1, amrex::Real const q2, + amrex::Real const m1, amrex::Real const m2, + amrex::Real const dt, amrex::Real const dV, + index_type const /*cell_start_pair*/, index_type* /*p_mask*/, + index_type* /*p_pair_indices_1*/, index_type* /*p_pair_indices_2*/, + amrex::ParticleReal* /*p_pair_reaction_weight*/, + amrex::RandomEngine const& engine) const + { + ElasticCollisionPerez( + I1s, I1e, I2s, I2e, I1, I2, + soa_1, soa_2, + q1, q2, m1, m2, amrex::Real(-1.0), amrex::Real(-1.0), + dt, m_CoulombLog, dV, engine ); + } + +private: + amrex::Real m_CoulombLog; +}; + +#endif // PAIRWISE_COULOMB_COLLISION_FUNC_H_ diff --git a/Source/Particles/Collision/BinaryCollision/ParticleCreationFunc.H b/Source/Particles/Collision/BinaryCollision/ParticleCreationFunc.H new file mode 100644 index 000000000..578f08741 --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/ParticleCreationFunc.H @@ -0,0 +1,112 @@ +/* Copyright 2021 Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ + +#ifndef PARTICLE_CREATION_FUNC_H_ +#define PARTICLE_CREATION_FUNC_H_ + +#include "BinaryCollisionUtils.H" + +#include "Particles/ParticleCreation/SmartCopy.H" +#include "Particles/Pusher/GetAndSetPosition.H" +#include "Particles/MultiParticleContainer.H" +#include "Particles/WarpXParticleContainer.H" +#include "Utils/WarpXUtil.H" +#include "WarpX.H" + +#include <AMReX_DenseBins.H> +#include <AMReX_GpuContainers.H> +#include <AMReX_REAL.H> +#include <AMReX_Vector.H> + +/** + * \brief This functor creates particles produced from a binary collision and sets their initial + * properties (position, momentum, weight). + */ +class ParticleCreationFunc{ + // Define shortcuts for frequently-used type names + using ParticleType = WarpXParticleContainer::ParticleType; + using ParticleBins = amrex::DenseBins<ParticleType>; + using index_type = ParticleBins::index_type; + using SoaData_type = WarpXParticleContainer::ParticleTileType::ParticleTileDataType; + +public: + /** + * \brief Default constructor of the ParticleCreationFunc class. + */ + ParticleCreationFunc () = default; + + /** + * \brief Constructor of the ParticleCreationFunc class + * + * @param[in] collision_name the name of the collision + * @param[in] mypc pointer to the MultiParticleContainer + */ + ParticleCreationFunc (const std::string collision_name, MultiParticleContainer const * const mypc); + + /** + * \brief operator() of the ParticleCreationFunc class. Needs to be implemented. + */ + AMREX_INLINE + amrex::Vector<int> operator() ( + const SoaData_type /*soa_1*/, const SoaData_type /*soa_2*/, + const SoaData_type* /*soa_products*/, + const GetParticlePosition /*get_position_1*/, + const GetParticlePosition /*get_position_2*/, + const GetParticlePosition* /*get_position_products*/, + const index_type* /*p_mask*/, const index_type* /*products_np*/, + const SmartCopy* /*copy_species1*/, const SmartCopy* /*copy_species2*/, + const index_type* /*p_pair_indices_1*/, const index_type* /*p_pair_indices_2*/, + const amrex::ParticleReal* /*p_pair_reaction_weight*/ + ) const + { + return amrex::Vector<int>(m_num_product_species, 0); + } + +private: + // How many different type of species the collision produces + int m_num_product_species; + // Vector of size m_num_product_species storing how many particles of a given species are + // produced by a collision event + amrex::Gpu::DeviceVector<int> m_num_products; + CollisionType m_collision_type; +}; + + +/** + * \brief This class does nothing and is used as second template parameter for binary collisions + * that do not create particles. + */ +class NoParticleCreationFunc{ + using ParticleType = WarpXParticleContainer::ParticleType; + using ParticleBins = amrex::DenseBins<ParticleType>; + using index_type = ParticleBins::index_type; + using SoaData_type = WarpXParticleContainer::ParticleTileType::ParticleTileDataType; + +public: + NoParticleCreationFunc () = default; + + NoParticleCreationFunc (const std::string /*collision_name*/, + MultiParticleContainer const * const /*mypc*/) {} + + AMREX_INLINE + amrex::Vector<int> operator() ( + const SoaData_type /*soa_1*/, const SoaData_type /*soa_2*/, + const SoaData_type* /*soa_products*/, + const GetParticlePosition /*get_position_1*/, + const GetParticlePosition /*get_position_2*/, + const GetParticlePosition* /*get_position_products*/, + const index_type* /*p_mask*/, const index_type* /*products_np*/, + const SmartCopy* /*copy_species1*/, const SmartCopy* /*copy_species2*/, + const index_type* /*p_pair_indices_1*/, const index_type* /*p_pair_indices_2*/, + const amrex::ParticleReal* /*p_pair_reaction_weight*/ + ) const + { + return amrex::Vector<int>(); + } +}; + +#endif // PARTICLE_CREATION_FUNC_H_ diff --git a/Source/Particles/Collision/BinaryCollision/ParticleCreationFunc.cpp b/Source/Particles/Collision/BinaryCollision/ParticleCreationFunc.cpp new file mode 100644 index 000000000..fff4150c1 --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/ParticleCreationFunc.cpp @@ -0,0 +1,45 @@ +/* Copyright 2021 Neil Zaim + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ + +#include "ParticleCreationFunc.H" + +#include "BinaryCollisionUtils.H" +#include "Particles/MultiParticleContainer.H" + +#include <AMReX_GpuContainers.H> +#include <AMReX_ParmParse.H> +#include <AMReX_Vector.H> + +#include <string> + +ParticleCreationFunc::ParticleCreationFunc (const std::string collision_name, + MultiParticleContainer const * const mypc) + { + amrex::ParmParse pp_collision_name(collision_name); + + m_collision_type = BinaryCollisionUtils::get_collision_type(collision_name, mypc); + +#ifdef AMREX_USE_GPU + amrex::Vector<int> host_num_products; +#else + amrex::Gpu::DeviceVector<int>& host_num_products = m_num_products; +#endif + if (m_collision_type == CollisionType::ProtonBoronFusion) + { + // Proton-Boron fusion only produces alpha particles + m_num_product_species = 1; + // Proton-Boron fusion produces 3 alpha particles per fusion reaction + host_num_products.push_back(3); + } +#ifdef AMREX_USE_GPU + m_num_products.resize(m_num_product_species); + amrex::Gpu::copyAsync(amrex::Gpu::hostToDevice, host_num_products.begin(), + host_num_products.end(), + m_num_products.begin()); + amrex::Gpu::streamSynchronize(); +#endif + } diff --git a/Source/Particles/Collision/BinaryCollision/ShuffleFisherYates.H b/Source/Particles/Collision/BinaryCollision/ShuffleFisherYates.H new file mode 100644 index 000000000..d7a302e3a --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/ShuffleFisherYates.H @@ -0,0 +1,36 @@ +/* Copyright 2019 Yinjian Zhao + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ +#ifndef WARPX_PARTICLES_COLLISION_SHUFFLE_FISHER_YATES_H_ +#define WARPX_PARTICLES_COLLISION_SHUFFLE_FISHER_YATES_H_ + +#include <AMReX_Random.H> + +/* \brief Shuffle array according to Fisher-Yates algorithm. + * Only shuffle the part between is <= i < ie, n = ie-is. + * T_index shall be + * amrex::DenseBins<WarpXParticleContainer::ParticleType>::index_type +*/ + +template <typename T_index> +AMREX_GPU_HOST_DEVICE AMREX_INLINE +void ShuffleFisherYates (T_index *array, T_index const is, T_index const ie, + amrex::RandomEngine const& engine) +{ + int j; + T_index buf; + for (int i = ie-1; i >= static_cast<int>(is+1); --i) + { + // get random number j: is <= j <= i + j = amrex::Random_int(i-is+1, engine) + is; + // swop the ith array element with the jth + buf = array[i]; + array[i] = array[j]; + array[j] = buf; + } +} + +#endif // WARPX_PARTICLES_COLLISION_SHUFFLE_FISHER_YATES_H_ diff --git a/Source/Particles/Collision/BinaryCollision/UpdateMomentumPerezElastic.H b/Source/Particles/Collision/BinaryCollision/UpdateMomentumPerezElastic.H new file mode 100644 index 000000000..b5acd85a7 --- /dev/null +++ b/Source/Particles/Collision/BinaryCollision/UpdateMomentumPerezElastic.H @@ -0,0 +1,271 @@ +/* Copyright 2019 Yinjian Zhao + * + * This file is part of WarpX. + * + * License: BSD-3-Clause-LBNL + */ +#ifndef WARPX_PARTICLES_COLLISION_UPDATE_MOMENTUM_PEREZ_ELASTIC_H_ +#define WARPX_PARTICLES_COLLISION_UPDATE_MOMENTUM_PEREZ_ELASTIC_H_ + +#include "Utils/WarpXConst.H" + +#include <AMReX_Math.H> +#include <AMReX_Random.H> + +#include <cmath> // isnan() isinf() +#include <limits> // numeric_limits<float>::min() + +/* \brief Update particle velocities according to + * F. Perez et al., Phys.Plasmas.19.083104 (2012), + * which is based on Nanbu's method, PhysRevE.55.4642 (1997). + * @param[in] LmdD is max(Debye length, minimal interparticle distance). + * @param[in] L is the Coulomb log. A fixed L will be used if L > 0, + * otherwise L will be calculated based on the algorithm. + * To see if there are nan or inf updated velocities, + * compile with USE_ASSERTION=TRUE. +*/ + +template <typename T_R> +AMREX_GPU_HOST_DEVICE AMREX_INLINE +void UpdateMomentumPerezElastic ( + T_R& u1x, T_R& u1y, T_R& u1z, T_R& u2x, T_R& u2y, T_R& u2z, + T_R const n1, T_R const n2, T_R const n12, + T_R const q1, T_R const m1, T_R const w1, + T_R const q2, T_R const m2, T_R const w2, + T_R const dt, T_R const L, T_R const lmdD, + amrex::RandomEngine const& engine) +{ + + // If g = u1 - u2 = 0, do not collide. + if ( amrex::Math::abs(u1x-u2x) < std::numeric_limits<T_R>::min() && + amrex::Math::abs(u1y-u2y) < std::numeric_limits<T_R>::min() && + amrex::Math::abs(u1z-u2z) < std::numeric_limits<T_R>::min() ) + { return; } + + T_R constexpr inv_c2 = T_R(1.0) / ( PhysConst::c * PhysConst::c ); + + // Compute Lorentz factor gamma + T_R const g1 = std::sqrt( T_R(1.0) + (u1x*u1x+u1y*u1y+u1z*u1z)*inv_c2 ); + T_R const g2 = std::sqrt( T_R(1.0) + (u2x*u2x+u2y*u2y+u2z*u2z)*inv_c2 ); + + // Compute momenta + T_R const p1x = u1x * m1; + T_R const p1y = u1y * m1; + T_R const p1z = u1z * m1; + T_R const p2x = u2x * m2; + T_R const p2y = u2y * m2; + T_R const p2z = u2z * m2; + + // Compute center-of-mass (COM) velocity and gamma + T_R const mass_g = m1 * g1 + m2 * g2; + T_R const vcx = (p1x+p2x) / mass_g; + T_R const vcy = (p1y+p2y) / mass_g; + T_R const vcz = (p1z+p2z) / mass_g; + T_R const vcms = vcx*vcx + vcy*vcy + vcz*vcz; + T_R const gc = T_R(1.0) / std::sqrt( T_R(1.0) - vcms*inv_c2 ); + + // Compute vc dot v1 and v2 + T_R const vcDv1 = (vcx*u1x + vcy*u1y + vcz*u1z) / g1; + T_R const vcDv2 = (vcx*u2x + vcy*u2y + vcz*u2z) / g2; + + // Compute p1 star + T_R p1sx; + T_R p1sy; + T_R p1sz; + if ( vcms > std::numeric_limits<T_R>::min() ) + { + T_R const lorentz_tansform_factor = + ( (gc-T_R(1.0))/vcms*vcDv1 - gc )*m1*g1; + p1sx = p1x + vcx*lorentz_tansform_factor; + p1sy = p1y + vcy*lorentz_tansform_factor; + p1sz = p1z + vcz*lorentz_tansform_factor; + } + else // If vcms = 0, don't do Lorentz-transform. + { + p1sx = p1x; + p1sy = p1y; + p1sz = p1z; + } + T_R const p1sm = std::sqrt( p1sx*p1sx + p1sy*p1sy + p1sz*p1sz ); + + // Compute gamma star + T_R const g1s = ( T_R(1.0) - vcDv1*inv_c2 )*gc*g1; + T_R const g2s = ( T_R(1.0) - vcDv2*inv_c2 )*gc*g2; + + // Compute the Coulomb log lnLmd + T_R lnLmd; + if ( L > T_R(0.0) ) { lnLmd = L; } + else + { + // Compute b0 + T_R const b0 = amrex::Math::abs(q1*q2) * inv_c2 / + (T_R(4.0)*MathConst::pi*PhysConst::ep0) * gc/mass_g * + ( m1*g1s*m2*g2s/(p1sm*p1sm*inv_c2) + T_R(1.0) ); + + // Compute the minimal impact parameter + T_R bmin = amrex::max(PhysConst::hbar*MathConst::pi/p1sm,b0); + + // Compute the Coulomb log lnLmd + lnLmd = amrex::max( T_R(2.0), + T_R(0.5)*std::log(T_R(1.0)+lmdD*lmdD/(bmin*bmin)) ); + } + + // Compute s + const auto tts = m1*g1s*m2*g2s/(inv_c2*p1sm*p1sm) + T_R(1.0); + const auto tts2 = tts*tts; + T_R s = n1*n2/n12 * dt*lnLmd*q1*q1*q2*q2 / + ( T_R(4.0) * MathConst::pi * PhysConst::ep0 * PhysConst::ep0 * + m1*g1*m2*g2/(inv_c2*inv_c2) ) * gc*p1sm/mass_g * tts2; + + // Compute s' + const auto cbrt_n1 = std::cbrt(n1); + const auto cbrt_n2 = std::cbrt(n2); + const auto coeff = static_cast<T_R>( + std::pow(4.0*MathConst::pi/3.0,1.0/3.0)); + T_R const vrel = mass_g*p1sm/(m1*g1s*m2*g2s*gc); + T_R const sp = coeff * n1*n2/n12 * dt * vrel * (m1+m2) / + amrex::max( m1*cbrt_n1*cbrt_n1, + m2*cbrt_n2*cbrt_n2); + + // Determine s + s = amrex::min(s,sp); + + // Get random numbers + T_R r = amrex::Random(engine); + + // Compute scattering angle + T_R cosXs; + T_R sinXs; + if ( s <= T_R(0.1) ) + { + while ( true ) + { + cosXs = T_R(1.0) + s * std::log(r); + // Avoid the bug when r is too small such that cosXs < -1 + if ( cosXs >= T_R(-1.0) ) { break; } + r = amrex::Random(engine); + } + } + else if ( s > T_R(0.1) && s <= T_R(3.0) ) + { + T_R const Ainv = static_cast<T_R>( + 0.0056958 + 0.9560202*s - 0.508139*s*s + + 0.47913906*s*s*s - 0.12788975*s*s*s*s + 0.02389567*s*s*s*s*s); + cosXs = Ainv * std::log( std::exp(T_R(-1.0)/Ainv) + + T_R(2.0) * r * std::sinh(T_R(1.0)/Ainv) ); + } + else if ( s > T_R(3.0) && s <= T_R(6.0) ) + { + T_R const A = T_R(3.0) * std::exp(-s); + cosXs = T_R(1.0)/A * std::log( std::exp(-A) + + T_R(2.0) * r * std::sinh(A) ); + } + else + { + cosXs = T_R(2.0) * r - T_R(1.0); + } + sinXs = std::sqrt(T_R(1.0) - cosXs*cosXs); + + // Get random azimuthal angle + T_R const phis = amrex::Random(engine) * T_R(2.0) * MathConst::pi; + T_R const cosphis = std::cos(phis); + T_R const sinphis = std::sin(phis); + + // Compute post-collision momenta pfs in COM + T_R p1fsx; + T_R p1fsy; + T_R p1fsz; + // p1sp is the p1s perpendicular + T_R p1sp = std::sqrt( p1sx*p1sx + p1sy*p1sy ); + // Make sure p1sp is not almost zero + if ( p1sp > std::numeric_limits<T_R>::min() ) + { + p1fsx = ( p1sx*p1sz/p1sp ) * sinXs*cosphis + + ( p1sy*p1sm/p1sp ) * sinXs*sinphis + + ( p1sx ) * cosXs; + p1fsy = ( p1sy*p1sz/p1sp ) * sinXs*cosphis + + (-p1sx*p1sm/p1sp ) * sinXs*sinphis + + ( p1sy ) * cosXs; + p1fsz = (-p1sp ) * sinXs*cosphis + + ( T_R(0.0) ) * sinXs*sinphis + + ( p1sz ) * cosXs; + // Note a negative sign is different from + // Eq. (12) in Perez's paper, + // but they are the same due to the random nature of phis. + } + else + { + // If the previous p1sp is almost zero + // x->y y->z z->x + // This set is equivalent to the one in Nanbu's paper + p1sp = std::sqrt( p1sy*p1sy + p1sz*p1sz ); + p1fsy = ( p1sy*p1sx/p1sp ) * sinXs*cosphis + + ( p1sz*p1sm/p1sp ) * sinXs*sinphis + + ( p1sy ) * cosXs; + p1fsz = ( p1sz*p1sx/p1sp ) * sinXs*cosphis + + (-p1sy*p1sm/p1sp ) * sinXs*sinphis + + ( p1sz ) * cosXs; + p1fsx = (-p1sp ) * sinXs*cosphis + + ( T_R(0.0) ) * sinXs*sinphis + + ( p1sx ) * cosXs; + } + + T_R const p2fsx = -p1fsx; + T_R const p2fsy = -p1fsy; + T_R const p2fsz = -p1fsz; + + // Transform from COM to lab frame + T_R p1fx; T_R p2fx; + T_R p1fy; T_R p2fy; + T_R p1fz; T_R p2fz; + if ( vcms > std::numeric_limits<T_R>::min() ) + { + T_R const vcDp1fs = vcx*p1fsx + vcy*p1fsy + vcz*p1fsz; + T_R const vcDp2fs = vcx*p2fsx + vcy*p2fsy + vcz*p2fsz; + T_R const factor = (gc-T_R(1.0))/vcms; + T_R const factor1 = factor*vcDp1fs + m1*g1s*gc; + T_R const factor2 = factor*vcDp2fs + m2*g2s*gc; + p1fx = p1fsx + vcx * factor1; + p1fy = p1fsy + vcy * factor1; + p1fz = p1fsz + vcz * factor1; + p2fx = p2fsx + vcx * factor2; + p2fy = p2fsy + vcy * factor2; + p2fz = p2fsz + vcz * factor2; + } + else // If vcms = 0, don't do Lorentz-transform. + { + p1fx = p1fsx; + p1fy = p1fsy; + p1fz = p1fsz; + p2fx = p2fsx; + p2fy = p2fsy; + p2fz = p2fsz; + } + + // Rejection method + r = amrex::Random(engine); + if ( w2 > r*amrex::max(w1, w2) ) + { + u1x = p1fx / m1; + u1y = p1fy / m1; + u1z = p1fz / m1; +#ifndef AMREX_USE_DPCPP + AMREX_ASSERT(!std::isnan(u1x+u1y+u1z+u2x+u2y+u2z)); + AMREX_ASSERT(!std::isinf(u1x+u1y+u1z+u2x+u2y+u2z)); +#endif + } + r = amrex::Random(engine); + if ( w1 > r*amrex::max(w1, w2) ) + { + u2x = p2fx / m2; + u2y = p2fy / m2; + u2z = p2fz / m2; +#ifndef AMREX_USE_DPCPP + AMREX_ASSERT(!std::isnan(u1x+u1y+u1z+u2x+u2y+u2z)); + AMREX_ASSERT(!std::isinf(u1x+u1y+u1z+u2x+u2y+u2z)); +#endif + } + +} + +#endif // WARPX_PARTICLES_COLLISION_UPDATE_MOMENTUM_PEREZ_ELASTIC_H_ |