Merge pull request #17 from AMReX-Combustion/splash_model

Breakup, splashing, and wall film models

Exec/SprayTests/PeleC/SprayA_wbreakup/GNUmakefile

@@ -0,0 +1,38 @@
+# AMReX
+DIM = 3
+COMP = gnu
+PRECISION = DOUBLE
+
+# Profiling
+PROFILE = FALSE
+TINY_PROFILE = TRUE
+COMM_PROFILE = FALSE
+TRACE_PROFILE = FALSE
+MEM_PROFILE = FALSE
+USE_GPROF = FALSE
+
+# Performance
+USE_MPI = TRUE
+USE_OMP = FALSE
+USE_CUDA = FALSE
+USE_HIP = FALSE
+PELE_USE_MAGMA = TRUE
+
+# Debugging
+DEBUG = FALSE
+FSANITIZER = FALSE
+THREAD_SANITIZER = FALSE
+
+# PeleC
+Eos_Model := Fuego
+Chemistry_Model := dodecane_lu
+Transport_Model := Simple
+
+# PeleMP
+USE_PARTICLES = TRUE
+SPRAY_FUEL_NUM = 1
+
+# GNU Make
+Bpack := ./Make.package
+Blocs := .
+include $(PELEC_HOME)/Exec/Make.PeleC

Exec/SprayTests/PeleC/SprayA_wbreakup/Make.package

@@ -0,0 +1,3 @@
+CEXE_sources += prob.cpp
+CEXE_headers += prob.H
+CEXE_headers += prob_parm.H

Exec/SprayTests/PeleC/SprayA_wbreakup/README.rst

@@ -0,0 +1,6 @@
+Spray A Problem
+---------------
+
+This is a Spray A test problem based on a configuration from ECN. This problem uses the KHRT breakup model and provides good comparisons with the experimental liquid and vapor penetrations.
+
+In order to run this problem, create a new directory called `PelePhysics/Support/Mechanism/multi_dechep` and move the mechanism files in the local `chem_files` directory into it.

Exec/SprayTests/PeleC/SprayA_wbreakup/SprayParticlesInitInsert.cpp

@@ -0,0 +1,42 @@
+
+#include "SprayParticles.H"
+#include "SprayInjection.H"
+#include "prob.H"
+
+bool
+SprayParticleContainer::injectParticles(
+  amrex::Real time,
+  amrex::Real dt,
+  int nstep,
+  int lev,
+  int finest_level,
+  ProbParmHost const& prob_parm,
+  ProbParmDevice const& prob_parm_d)
+{
+  amrex::ignore_unused(nstep, finest_level, prob_parm_d);
+  if (lev != 0) {
+    return false;
+  }
+  SprayJet* js = m_sprayJets[0].get();
+  if (!js->jet_active(time)) {
+    return false;
+  }
+
+  sprayInjection(time, js, dt, lev);
+
+  // Redistribute is done outside of this function
+  return true;
+}
+
+void
+SprayParticleContainer::InitSprayParticles(
+  const bool init_parts,
+  ProbParmHost const& prob_parm,
+  ProbParmDevice const& prob_parm_d)
+{
+  amrex::ignore_unused(prob_parm_d, init_parts);
+  m_sprayJets.resize(1);
+  std::string jet_name = "jet1";
+  m_sprayJets[0] = std::make_unique<SprayJet>(jet_name, Geom(0));
+  return;
+}

Exec/SprayTests/PeleC/SprayA_wbreakup/prob.H

@@ -0,0 +1,91 @@
+#ifndef PROB_H
+#define PROB_H
+
+#include <AMReX_Print.H>
+#include <AMReX_ParmParse.H>
+#include <AMReX_Geometry.H>
+#include <AMReX_FArrayBox.H>
+
+#include "mechanism.H"
+
+#include "IndexDefines.H"
+#include "Constants.H"
+#include "PelePhysics.H"
+#include "Tagging.H"
+#include "ProblemDerive.H"
+#include "prob_parm.H"
+
+AMREX_GPU_DEVICE
+AMREX_FORCE_INLINE
+void
+pc_initdata(
+  int i,
+  int j,
+  int k,
+  amrex::Array4<amrex::Real> const& state,
+  amrex::GeometryData const& /*geomdata*/,
+  ProbParmDevice const& prob_parm)
+{
+
+  amrex::Real u[3] = {0.0};
+  u[1] = prob_parm.v0;
+  const amrex::Real p = prob_parm.p0;
+  amrex::Real rho, eint;
+
+  amrex::Real Tval = prob_parm.T0;
+  auto eos = pele::physics::PhysicsType::eos();
+  amrex::Real massfrac[NUM_SPECIES] = {0.0};
+  if (prob_parm.mol_fracs) {
+    amrex::Real molfrac[NUM_SPECIES] = {0.0};
+    molfrac[O2_ID] = prob_parm.YX_O2;
+    molfrac[N2_ID] = prob_parm.YX_N2;
+    molfrac[CO2_ID] = prob_parm.YX_CO2;
+    molfrac[H2O_ID] = prob_parm.YX_H2O;
+    eos.X2Y(molfrac, massfrac);
+  } else {
+    massfrac[O2_ID] = prob_parm.YX_O2;
+    massfrac[N2_ID] = prob_parm.YX_N2;
+    massfrac[CO2_ID] = prob_parm.YX_CO2;
+    massfrac[H2O_ID] = prob_parm.YX_H2O;
+  }
+  eos.PYT2RE(p, massfrac, Tval, rho, eint);
+
+  // Set the state
+  state(i, j, k, URHO) = rho;
+  state(i, j, k, UMX) = rho * u[0];
+  state(i, j, k, UMY) = rho * u[1];
+  state(i, j, k, UMZ) = rho * u[2];
+  state(i, j, k, UEINT) = rho * eint;
+  state(i, j, k, UEDEN) =
+    rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2]));
+  state(i, j, k, UTEMP) = Tval;
+  for (int n = 0; n < NUM_SPECIES; n++) {
+    state(i, j, k, UFS + n) = rho * massfrac[n];
+  }
+}
+
+AMREX_GPU_DEVICE
+AMREX_FORCE_INLINE
+void
+bcnormal(
+  const amrex::Real* /*x[AMREX_SPACEDIM]*/,
+  const amrex::Real s_int[NVAR],
+  amrex::Real s_ext[NVAR],
+  const int /*idir*/,
+  const int /*sgn*/,
+  const amrex::Real /*time*/,
+  amrex::GeometryData const& /*geomdata*/,
+  ProbParmDevice const& /*prob_parm*/)
+{
+  // This sets the values at the boundary equal to the
+  // adjacent interior values
+  for (int i = 0; i < NVAR; ++i) {
+    s_ext[i] = s_int[i];
+  }
+}
+
+void pc_prob_close();
+
+using ProblemTags = EmptyProbTagStruct;
+using ProblemDerives = EmptyProbDeriveStruct;
+#endif

Exec/SprayTests/PeleC/SprayA_wbreakup/prob.cpp

@@ -0,0 +1,51 @@
+#include "prob.H"
+
+extern "C" {
+void
+amrex_probinit(
+  const int* /*init*/,
+  const int* /*name*/,
+  const int* /*namelen*/,
+  const amrex_real* /*problo*/,
+  const amrex_real* /*probhi*/)
+{
+  // Parse params
+  amrex::ParmParse pp("prob");
+  pp.query("init_v", PeleC::h_prob_parm_device->v0);
+  pp.get("ref_p", PeleC::h_prob_parm_device->p0);
+  pp.get("ref_T", PeleC::h_prob_parm_device->T0);
+  if (pp.contains("X_N2")) {
+    pp.query("X_N2", PeleC::h_prob_parm_device->YX_N2);
+    pp.query("X_O2", PeleC::h_prob_parm_device->YX_O2);
+    pp.query("X_H2O", PeleC::h_prob_parm_device->YX_H2O);
+    pp.query("X_CO2", PeleC::h_prob_parm_device->YX_CO2);
+    PeleC::h_prob_parm_device->mol_fracs = true;
+  } else {
+    pp.query("Y_N2", PeleC::h_prob_parm_device->YX_N2);
+    pp.query("Y_O2", PeleC::h_prob_parm_device->YX_O2);
+    pp.query("Y_H2O", PeleC::h_prob_parm_device->YX_H2O);
+    pp.query("Y_CO2", PeleC::h_prob_parm_device->YX_CO2);
+  }
+
+}
+}
+
+void
+pc_prob_close()
+{
+}
+
+void
+PeleC::problem_post_timestep()
+{
+}
+
+void
+PeleC::problem_post_init()
+{
+}
+
+void
+PeleC::problem_post_restart()
+{
+}

Exec/SprayTests/PeleC/SprayA_wbreakup/prob_parm.H

@@ -0,0 +1,24 @@
+#ifndef PROB_PARM_H
+#define PROB_PARM_H
+
+#include <AMReX_REAL.H>
+#include <AMReX_GpuQualifiers.H>
+#include <AMReX_GpuMemory.H>
+
+struct ProbParmDevice
+{
+  amrex::Real p0 = 1.013e6; // [erg cm^-3]
+  amrex::Real T0 = 300.0;
+  amrex::Real v0 = 0.;
+  amrex::Real YX_O2 = 0.233;
+  amrex::Real YX_N2 = 0.767;
+  amrex::Real YX_H2O = 0.;
+  amrex::Real YX_CO2 = 0.;
+  bool mol_fracs = false;
+};
+
+struct ProbParmHost
+{
+};
+
+#endif