double DotProduct(Dvector vector1, Dvector vector2)
{
double dotProduct;
dotProduct = vector1.X * vector2.X + vector1.Y * vector2.Y + vector1.Z * vector2.Z + vector1.W * vector2.W;
return(dotProduct);
}
Dvector Crossproduct(Dvector vector1, Dvector vector2)
{
Dvector crossProduct = new Dvector();
crossProduct.X = vector1.Y * vector2.Z - vector2.Y * vector1.Z;
crossProduct.Y = vector1.Z * vector2.X - vector2.Z * vector1.X;
crossProduct.Z = vector1.X * vector2.Y - vector2.X * vector1.Y;
return(crossProduct);
}
Dvector ScalarMultiple(double scalar, Dvector vector)
{
Dvector scalarMultiple = new Dvector();
scalarMultiple.X = scalar * vector.X;
scalarMultiple.Y = scalar * vector.Y;
scalarMultiple.Z = scalar * vector.Z;
scalarMultiple.W = scalar * vector.W;
return(scalarMultiple);
}
Dvector AddVector(Dvector vector1, Dvector vector2)
{
Dvector SumVector = new Dvector();
SumVector.X = vector1.X + vector2.X;
SumVector.Y = vector1.Y + vector2.Y;
SumVector.Z = vector1.Z + vector2.Z;
SumVector.W = vector1.W + vector2.W;
return(SumVector);
}
void Collision(Atom atom, Atom atom2)
{
double radialV1, radialV2;
Dvector position = new Dvector();
Dvector rad1UnitV = new Dvector();
position = AddVector(atom2.position, ScalarMultiple(-1, atom.position));
radialV1 = DotProduct(atom.velocity, position) / AbsVect(position);
radialV2 = DotProduct(atom2.velocity, ScalarMultiple(-1, position)) / AbsVect(position);
rad1UnitV = ScalarMultiple(1 / AbsVect(position), AddVector(atom2.position, ScalarMultiple(-1, atom.position)));
Dvector momentum = new Dvector();
momentum = AddVector(ScalarMultiple(atom.mass, atom.velocity), ScalarMultiple(atom2.mass, atom2.velocity));
double deltaV1 = (radialV2 - 2 * radialV1) * (atom.mass + 1) - radialV2 * atom2.mass;
double deltaV2 = (radialV2 - 2 * radialV1) * atom.mass - radialV2 * (atom2.mass + 1);
atom.velocity = AddVector(atom.velocity, ScalarMultiple(-deltaV1, rad1UnitV));
}
void Molecule2Computer(Molecule2 molecule)
{
molecule.position = AddVector(molecule.position, ScalarMultiple(timeIncrement, molecule.velocity));
double reducedMass;
reducedMass = molecule.atom1.mass * molecule.atom2.mass / molecule.mass;
Dvector r = ScalarMultiple(molecule.atom1.mass / molecule.mass, AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
molecule.interiaTensor[0, 0] = (Math.Pow(molecule.position.Y - molecule.atom1.position.Y, 2) + Math.Pow(molecule.position.Z - molecule.atom1.position.Z, 2)) * molecule.atom1.mass
+ (Math.Pow(molecule.position.Y - molecule.atom2.position.Y, 2) + Math.Pow(molecule.position.Z - molecule.atom2.position.Z, 2)) * molecule.atom2.mass;
molecule.interiaTensor[1, 1] = (Math.Pow(molecule.position.X - molecule.atom1.position.X, 2) + Math.Pow(molecule.position.Z - molecule.atom1.position.Z, 2)) * molecule.atom1.mass
+ (Math.Pow(molecule.position.X - molecule.atom2.position.X, 2) + Math.Pow(molecule.position.Z - molecule.atom2.position.Z, 2)) * molecule.atom2.mass;
molecule.interiaTensor[2, 2] = (Math.Pow(molecule.position.X - molecule.atom1.position.X, 2) + Math.Pow(molecule.position.Y - molecule.atom1.position.Y, 2)) * molecule.atom1.mass
+ (Math.Pow(molecule.position.X - molecule.atom2.position.X, 2) + Math.Pow(molecule.position.Y - molecule.atom2.position.Y, 2)) * molecule.atom2.mass;
molecule.interiaTensor[1, 0] = (molecule.position.X - molecule.atom1.position.X) * (molecule.atom1.position.Y - molecule.position.Y) * molecule.atom1.mass + (molecule.position.X - molecule.atom2.position.X) * (molecule.atom2.position.Y - molecule.position.Y) * molecule.atom2.mass;
molecule.interiaTensor[2, 0] = (molecule.position.X - molecule.atom1.position.X) * (molecule.atom1.position.Z - molecule.position.Z) * molecule.atom1.mass + (molecule.position.X - molecule.atom2.position.X) * (molecule.atom2.position.Z - molecule.position.Z) * molecule.atom2.mass;
molecule.interiaTensor[2, 1] = (molecule.position.Y - molecule.atom1.position.Y) * (molecule.atom1.position.Z - molecule.position.Z) * molecule.atom1.mass + (molecule.position.Y - molecule.atom2.position.Y) * (molecule.atom2.position.Z - molecule.position.Z) * molecule.atom2.mass;
molecule.interiaTensor[0, 1] = molecule.interiaTensor[1, 0];
molecule.interiaTensor[0, 2] = molecule.interiaTensor[2, 0];
molecule.interiaTensor[1, 2] = molecule.interiaTensor[2, 1];
if (molecule.atom1.position.X > size.X || molecule.atom1.position.X < 0)
{
molecule.atom1.velocity.X = -molecule.atom1.velocity.X;
molecule.velocity.X += molecule.atom1.velocity.X * 2 * (molecule.atom1.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom1.velocity.X / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom1.position.Y > size.Y || molecule.atom1.position.Y < 0)
{
molecule.atom1.velocity.Y = -molecule.atom1.velocity.Y;
molecule.velocity.Y += molecule.atom1.velocity.Y * 2 * (molecule.atom1.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom1.velocity.Y / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom1.position.Z > size.Z || molecule.atom1.position.Z < 0)
{
molecule.atom1.velocity.Z = -molecule.atom1.velocity.Z;
molecule.velocity.Z += molecule.atom1.velocity.Z * 2 * (molecule.atom1.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom1.velocity.Z / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2.position.X > size.X || molecule.atom2.position.X < 0)
{
molecule.atom2.velocity.X = -molecule.atom2.velocity.X;
molecule.velocity.X += molecule.atom2.velocity.X * 2 * (molecule.atom2.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom2.velocity.X / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2.position.Y > size.Y || molecule.atom2.position.Y < 0)
{
molecule.atom2.velocity.Y = -molecule.atom2.velocity.Y;
molecule.velocity.Y += molecule.atom2.velocity.Y * 2 * (molecule.atom2.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom2.velocity.Y / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2.position.Z > size.Z || molecule.atom2.position.Z < 0)
{
molecule.atom2.velocity.Z = -molecule.atom2.velocity.Z;
molecule.velocity.Z += molecule.atom2.velocity.Z * 2 * (molecule.atom2.mass) / molecule.mass;
molecule.amplitude = Math.Abs(2 * molecule.atom2.velocity.Z / Math.Sqrt(molecule.bondSpringConstant * reducedMass));
molecule.angularFrequency = Math.Sqrt(molecule.bondSpringConstant * reducedMass);
molecule.theta = Math.PI / 2;
molecule.angularVelocity = Crossproduct(ScalarMultiple(2, molecule.atom1.velocity), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
foreach (Atom atom in atoms)
{
if (molecule.atom1 != atom && AbsVect(AddVector(atom.position, ScalarMultiple(-1, molecule.atom1.position))) < atom.radius + molecule.atom1.radius)
{
Collision(molecule.atom1, atom);
molecule.angularVelocity = Crossproduct(AddVector(molecule.atom1.velocity, ScalarMultiple(-1, molecule.atom2.velocity)), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
if (molecule.atom2 != atom && AbsVect(AddVector(atom.position, ScalarMultiple(-1, molecule.atom2.position))) < atom.radius + molecule.atom2.radius)
{
Collision(molecule.atom2, atom);
molecule.angularVelocity = Crossproduct(AddVector(molecule.atom1.velocity, ScalarMultiple(-1, molecule.atom2.velocity)), AddVector(molecule.atom1.position, ScalarMultiple(-1, molecule.atom2.position)));
}
}
molecule.angularVelocity = Crossproduct(AddVector(molecule.atom2.velocity, ScalarMultiple(-1, molecule.atom1.velocity)), AddVector(molecule.atom2.velocity, ScalarMultiple(-1, molecule.atom1.velocity)));
molecule.AngularMomentum.X = molecule.interiaTensor[0, 0] * molecule.angularVelocity.X + molecule.interiaTensor[0, 1] * molecule.angularVelocity.Y + molecule.interiaTensor[0, 2] * molecule.angularVelocity.Z;
molecule.AngularMomentum.Y = molecule.interiaTensor[1, 0] * molecule.angularVelocity.X + molecule.interiaTensor[1, 1] * molecule.angularVelocity.Y + molecule.interiaTensor[1, 2] * molecule.angularVelocity.Z;
molecule.AngularMomentum.Z = molecule.interiaTensor[2, 0] * molecule.angularVelocity.X + molecule.interiaTensor[2, 1] * molecule.angularVelocity.Y + molecule.interiaTensor[2, 2] * molecule.angularVelocity.Z;
}
double AbsVect(Dvector vector)
{
double absvect = Math.Pow(vector.X, 2) + Math.Pow(vector.Y, 2) + Math.Pow(vector.Z, 2) + Math.Pow(vector.W, 2);
return(absvect);
}
