geant4/source/processes/hadronic/models/de_excitation/multifragmentation/src/G4StatMFChannel.cc

//
// ********************************************************************
// * License and Disclaimer                                           *
// *                                                                  *
// * The  Geant4 software  is  copyright of the Copyright Holders  of *
// * the Geant4 Collaboration.  It is provided  under  the terms  and *
// * conditions of the Geant4 Software License,  included in the file *
// * LICENSE and available at  http://cern.ch/geant4/license .  These *
// * include a list of copyright holders.                             *
// *                                                                  *
// * Neither the authors of this software system, nor their employing *
// * institutes,nor the agencies providing financial support for this *
// * work  make  any representation or  warranty, express or implied, *
// * regarding  this  software system or assume any liability for its *
// * use.  Please see the license in the file  LICENSE  and URL above *
// * for the full disclaimer and the limitation of liability.         *
// *                                                                  *
// * This  code  implementation is the result of  the  scientific and *
// * technical work of the GEANT4 collaboration.                      *
// * By using,  copying,  modifying or  distributing the software (or *
// * any work based  on the software)  you  agree  to acknowledge its *
// * use  in  resulting  scientific  publications,  and indicate your *
// * acceptance of all terms of the Geant4 Software license.          *
// ********************************************************************
//
//
//
// Hadronic Process: Nuclear De-excitations
// by V. Lara
//
// Modified:
// 25.07.08 I.Pshenichnov (in collaboration with Alexander Botvina and Igor 
//          Mishustin (FIAS, Frankfurt, INR, Moscow and Kurchatov Institute, 
//          Moscow, pshenich@fias.uni-frankfurt.de) fixed semi-infinite loop 

#include <numeric>

#include "G4StatMFChannel.hh"
#include "G4PhysicalConstants.hh"
#include "G4HadronicException.hh"
#include "Randomize.hh"
#include "G4Pow.hh"
#include "G4Exp.hh"
#include "G4RandomDirection.hh"

G4StatMFChannel::G4StatMFChannel() : 
  _NumOfNeutralFragments(0), 
  _NumOfChargedFragments(0)
{}

G4StatMFChannel::~G4StatMFChannel() 
{ 
  if (!_theFragments.empty()) {
    std::for_each(_theFragments.begin(),_theFragments.end(),
		  DeleteFragment());
  }
}

G4bool G4StatMFChannel::CheckFragments(void)
{
  std::deque<G4StatMFFragment*>::iterator i;
  for (i = _theFragments.begin(); 
       i != _theFragments.end(); ++i) 
    {
      G4int A = (*i)->GetA();
      G4int Z = (*i)->GetZ();
      if ( (A > 1 && (Z > A || Z <= 0)) || (A==1 && Z > A) || A <= 0 ) return false;
    }
    return true;
}

void G4StatMFChannel::CreateFragment(G4int A, G4int Z)
// Create a new fragment.
// Fragments are automatically sorted: first charged fragments, 
// then neutral ones.
{
  if (Z <= 0.5) {
    _theFragments.push_back(new G4StatMFFragment(A,Z));
    _NumOfNeutralFragments++;
  } else {
    _theFragments.push_front(new G4StatMFFragment(A,Z));
    _NumOfChargedFragments++;
  }
	
  return;
}

G4double G4StatMFChannel::GetFragmentsCoulombEnergy(void)
{
  G4double Coulomb =
    std::accumulate(_theFragments.begin(),_theFragments.end(),
                    0.0,
                    [](const G4double& running_total,
                       G4StatMFFragment*& fragment)
                    {
                      return running_total + fragment->GetCoulombEnergy();
                    } );
  //      G4double Coulomb = 0.0;
  //      for (unsigned int i = 0;i < _theFragments.size(); i++)
  //  	Coulomb += _theFragments[i]->GetCoulombEnergy();
  return Coulomb;
}

G4double G4StatMFChannel::GetFragmentsEnergy(G4double T) const
{
  G4double Energy = 0.0;
	
  G4double TranslationalEnergy = 1.5*T*_theFragments.size();

  std::deque<G4StatMFFragment*>::const_iterator i;
  for (i = _theFragments.begin(); i != _theFragments.end(); ++i)
    {
      Energy += (*i)->GetEnergy(T);
    }
  return Energy + TranslationalEnergy;	
}

G4FragmentVector * G4StatMFChannel::GetFragments(G4int anA, 
						 G4int anZ,
						 G4double T)
{
  // calculate momenta of charged fragments  
  CoulombImpulse(anA,anZ,T);
	
  // calculate momenta of neutral fragments
  FragmentsMomenta(_NumOfNeutralFragments, _NumOfChargedFragments, T);

  G4FragmentVector * theResult = new G4FragmentVector;
  std::deque<G4StatMFFragment*>::iterator i;
  for (i = _theFragments.begin(); i != _theFragments.end(); ++i)
    theResult->push_back((*i)->GetFragment(T));

  return theResult;
}

void G4StatMFChannel::CoulombImpulse(G4int anA, G4int anZ, G4double T)
// Aafter breakup, fragments fly away under Coulomb field.
// This method calculates asymptotic fragments momenta.
{
  // First, we have to place the fragments inside of the original nucleus volume
  PlaceFragments(anA);
	
  // Second, we sample initial charged fragments momenta. There are
  // _NumOfChargedFragments charged fragments and they start at the begining
  // of the vector _theFragments (i.e. 0) 
  FragmentsMomenta(_NumOfChargedFragments, 0, T);

  // Third, we have to figure out the asymptotic momenta of charged fragments 
  // For taht we have to solve equations of motion for fragments
  SolveEqOfMotion(anA,anZ,T);

  return;
}

void G4StatMFChannel::PlaceFragments(G4int anA)
// This gives the position of fragments at the breakup instant. 
// Fragments positions are sampled inside prolongated ellipsoid.
{
  G4Pow* g4calc = G4Pow::GetInstance();
  const G4double R0 = G4StatMFParameters::Getr0();
  G4double Rsys = 2.0*R0*g4calc->Z13(anA);

  G4bool TooMuchIterations;
  do 
    {
      TooMuchIterations = false;
	
      // Sample the position of the first fragment
      G4double R = (Rsys - R0*g4calc->Z13(_theFragments[0]->GetA()))*
	g4calc->A13(G4UniformRand());
      _theFragments[0]->SetPosition(R*G4RandomDirection());
	
	
      // Sample the position of the remaining fragments
      G4bool ThereAreOverlaps = false;
      std::deque<G4StatMFFragment*>::iterator i;
      for (i = _theFragments.begin()+1; i != _theFragments.end(); ++i) 
	{
	  G4int counter = 0;
	  do 
	    {
	      R = (Rsys - R0*g4calc->Z13((*i)->GetA()))*g4calc->A13(G4UniformRand());
	      (*i)->SetPosition(R*G4RandomDirection());
		
	      // Check that there are not overlapping fragments
	      std::deque<G4StatMFFragment*>::iterator j;
	      for (j = _theFragments.begin(); j != i; ++j) 
		{
		  G4ThreeVector FragToFragVector = 
		    (*i)->GetPosition() - (*j)->GetPosition();
		  G4double Rmin = R0*(g4calc->Z13((*i)->GetA()) +
				      g4calc->Z13((*j)->GetA()));
		  if ( (ThereAreOverlaps = (FragToFragVector.mag2() < Rmin*Rmin))) 
		    { break; }
		}
	      counter++;
	      // Loop checking, 05-Aug-2015, Vladimir Ivanchenko
	    } while (ThereAreOverlaps && counter < 1000);
	    
	  if (counter >= 1000) 
	    {
	      TooMuchIterations = true;
	      break;
	    } 
	}
      // Loop checking, 05-Aug-2015, Vladimir Ivanchenko
    } while (TooMuchIterations);
    return;
}

void G4StatMFChannel::FragmentsMomenta(G4int NF, G4int idx,
				       G4double T)
// Calculate fragments momenta at the breakup instant
// Fragment kinetic energies are calculated according to the 
// Boltzmann distribution at given temperature.
// NF is number of fragments
// idx is index of first fragment
{
  G4double KinE = 1.5*T*NF;	
  G4ThreeVector p(0.,0.,0.);
	
  if (NF <= 0) return;
  else if (NF == 1) 
    {
      // We have only one fragment to deal with
      p = std::sqrt(2.0*_theFragments[idx]->GetNuclearMass()*KinE)
	*G4RandomDirection();
      _theFragments[idx]->SetMomentum(p);
    } 
  else if (NF == 2) 
    {
      // We have only two fragment to deal with
      G4double M1 = _theFragments[idx]->GetNuclearMass();
      G4double M2 = _theFragments[idx+1]->GetNuclearMass();
      p = std::sqrt(2.0*KinE*(M1*M2)/(M1+M2))*G4RandomDirection();		
      _theFragments[idx]->SetMomentum(p);
      _theFragments[idx+1]->SetMomentum(-p);
    } 
  else 
    {
      // We have more than two fragments
      G4double AvailableE;
      G4int i1,i2;
      G4double SummedE;
      G4ThreeVector SummedP(0.,0.,0.);
      do 
	{
	  // Fisrt sample momenta of NF-2 fragments 
	  // according to Boltzmann distribution
	  AvailableE = 0.0;
	  SummedE = 0.0;
	  SummedP.setX(0.0);SummedP.setY(0.0);SummedP.setZ(0.0);
	  for (G4int i = idx; i < idx+NF-2; ++i) 
	    {
	      G4double E;
	      G4double RandE;
	      do 
		{
		  E = 9.0*G4UniformRand();
		  RandE = std::sqrt(0.5/E)*G4Exp(E-0.5)*G4UniformRand();
		} 
	      // Loop checking, 05-Aug-2015, Vladimir Ivanchenko
	      while (RandE > 1.0);
	      E *= T;
	      p = std::sqrt(2.0*E*_theFragments[i]->GetNuclearMass())
		*G4RandomDirection();
	      _theFragments[i]->SetMomentum(p);
	      SummedE += E;
	      SummedP += p;
	    }	
	  // Calculate momenta of last two fragments in such a way
	  // that constraints are satisfied
	  i1 = idx+NF-2;  // before last fragment index
	  i2 = idx+NF-1;  // last fragment index
	  p = -SummedP;
	  AvailableE = KinE - SummedE;
	  // Available Kinetic Energy should be shared between two last fragments
	} 
      // Loop checking, 05-Aug-2015, Vladimir Ivanchenko
      while (AvailableE <= p.mag2()/(2.0*(_theFragments[i1]->GetNuclearMass()+
					  _theFragments[i2]->GetNuclearMass())));
      G4double H = 1.0 + _theFragments[i2]->GetNuclearMass()
	/_theFragments[i1]->GetNuclearMass();
      G4double CTM12 = H*(1.0 - 2.0*_theFragments[i2]->GetNuclearMass()
			  *AvailableE/p.mag2());
      G4double CosTheta1;
      G4double Sign;

      if (CTM12 > 1.) {CosTheta1 = 1.;} 
      else {
	do 
	  {
	    do 
	      {
		CosTheta1 = 1.0 - 2.0*G4UniformRand();
	      } 
	    // Loop checking, 05-Aug-2015, Vladimir Ivanchenko
	    while (CosTheta1*CosTheta1 < CTM12);
	  }
	// Loop checking, 05-Aug-2015, Vladimir Ivanchenko
	while (CTM12 >= 0.0 && CosTheta1 < 0.0);
      }

      if (CTM12 < 0.0) Sign = 1.0;
      else if (G4UniformRand() <= 0.5) Sign = -1.0;
      else Sign = 1.0;		
		
      G4double P1 = (p.mag()*CosTheta1+Sign*std::sqrt(p.mag2()
						      *(CosTheta1*CosTheta1-CTM12)))/H;
      G4double P2 = std::sqrt(P1*P1+p.mag2() - 2.0*P1*p.mag()*CosTheta1);
      G4double Phi = twopi*G4UniformRand();
      G4double SinTheta1 = std::sqrt(1.0 - CosTheta1*CosTheta1);
      G4double CosPhi1 = std::cos(Phi);
      G4double SinPhi1 = std::sin(Phi);
      G4double CosPhi2 = -CosPhi1;
      G4double SinPhi2 = -SinPhi1;
      G4double CosTheta2 = (p.mag2() + P2*P2 - P1*P1)/(2.0*p.mag()*P2);
      G4double SinTheta2 = 0.0;
      if (CosTheta2 > -1.0 && CosTheta2 < 1.0) {
	SinTheta2 = std::sqrt(1.0 - CosTheta2*CosTheta2);
      }
      G4ThreeVector p1(P1*SinTheta1*CosPhi1,P1*SinTheta1*SinPhi1,P1*CosTheta1);
      G4ThreeVector p2(P2*SinTheta2*CosPhi2,P2*SinTheta2*SinPhi2,P2*CosTheta2);
      G4ThreeVector b(1.0,0.0,0.0);
	
      p1 = RotateMomentum(p,b,p1);
      p2 = RotateMomentum(p,b,p2);
	
      SummedP += p1 + p2;
      SummedE += p1.mag2()/(2.0*_theFragments[i1]->GetNuclearMass()) + 
	p2.mag2()/(2.0*_theFragments[i2]->GetNuclearMass());		
		
      _theFragments[i1]->SetMomentum(p1);
      _theFragments[i2]->SetMomentum(p2);
		
    }
  return;
}

void G4StatMFChannel::SolveEqOfMotion(G4int anA, G4int anZ, G4double T)
// This method will find a solution of Newton's equation of motion
// for fragments in the self-consistent time-dependent Coulomb field
{
  G4Pow* g4calc = G4Pow::GetInstance();
  G4double CoulombEnergy = 0.6*elm_coupling*anZ*anZ*
    g4calc->A13(1.0+G4StatMFParameters::GetKappaCoulomb())/
    (G4StatMFParameters::Getr0()*g4calc->Z13(anA)) - GetFragmentsCoulombEnergy();
  if (CoulombEnergy <= 0.0) return;
  
  G4int Iterations = 0;
  G4double TimeN = 0.0;
  G4double TimeS = 0.0;
  G4double DeltaTime = 10.0;
  
  G4ThreeVector * Pos = new G4ThreeVector[_NumOfChargedFragments];
  G4ThreeVector * Vel = new G4ThreeVector[_NumOfChargedFragments];
  G4ThreeVector * Accel = new G4ThreeVector[_NumOfChargedFragments];
  
  G4int i;
  for (i = 0; i < _NumOfChargedFragments; i++) 
    {
      Vel[i] = (1.0/(_theFragments[i]->GetNuclearMass()))*
	_theFragments[i]->GetMomentum();
      Pos[i] = _theFragments[i]->GetPosition();
    }

  G4ThreeVector distance(0.,0.,0.);
  G4ThreeVector force(0.,0.,0.);
  G4ThreeVector SavedVel(0.,0.,0.);
  do {
    for (i = 0; i < _NumOfChargedFragments; i++) 
      {
	force.set(0.,0.,0.); 
	for (G4int j = 0; j < _NumOfChargedFragments; j++) 
	  {
	    if (i != j) 
	      {
		distance = Pos[i] - Pos[j];
		force += (elm_coupling*_theFragments[i]->GetZ()
			  *_theFragments[j]->GetZ()/
			  (distance.mag2()*distance.mag()))*distance;
	      }
	  }
	Accel[i] = (1./(_theFragments[i]->GetNuclearMass()))*force;
      }

    TimeN = TimeS + DeltaTime;
	
    for ( i = 0; i < _NumOfChargedFragments; i++) 
      {
	SavedVel = Vel[i];
	Vel[i] += Accel[i]*(TimeN-TimeS);
	Pos[i] += (SavedVel+Vel[i])*(TimeN-TimeS)*0.5;
      }
    TimeS = TimeN;
    
    // Loop checking, 05-Aug-2015, Vladimir Ivanchenko
  } while (Iterations++ < 100);
	
  // Summed fragment kinetic energy
  G4double TotalKineticEnergy = 0.0;
  for (i = 0; i < _NumOfChargedFragments; i++) 
    {
      TotalKineticEnergy += _theFragments[i]->GetNuclearMass()*
	0.5*Vel[i].mag2();
    }
  // Scaling of fragment velocities
  G4double KineticEnergy = 1.5*_theFragments.size()*T;
  G4double Eta = ( CoulombEnergy + KineticEnergy ) / TotalKineticEnergy;
  for (i = 0; i < _NumOfChargedFragments; i++) 
    {
      Vel[i] *= Eta;
    }
  
  // Finally calculate fragments momenta
  for (i = 0; i < _NumOfChargedFragments; i++) 
    {
      _theFragments[i]->SetMomentum(_theFragments[i]->GetNuclearMass()*Vel[i]);
    }
  
  // garbage collection
  delete [] Pos;
  delete [] Vel;
  delete [] Accel;
  
  return;
}

G4ThreeVector G4StatMFChannel::RotateMomentum(G4ThreeVector Pa,
					      G4ThreeVector V, G4ThreeVector P)
    // Rotates a 3-vector P to close momentum triangle Pa + V + P = 0
{
  G4ThreeVector U = Pa.unit();
  
  G4double Alpha1 = U * V;
  
  G4double Alpha2 = std::sqrt(V.mag2() - Alpha1*Alpha1);

  G4ThreeVector N = (1./Alpha2)*U.cross(V);
  
  G4ThreeVector RotatedMomentum(
				( (V.x() - Alpha1*U.x())/Alpha2 ) * P.x() + N.x() * P.y() + U.x() * P.z(),
				( (V.y() - Alpha1*U.y())/Alpha2 ) * P.x() + N.y() * P.y() + U.y() * P.z(),
				( (V.z() - Alpha1*U.z())/Alpha2 ) * P.x() + N.z() * P.y() + U.z() * P.z()
				);
  return RotatedMomentum;
}