azizChen.C

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/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     | Website:  https://openfoam.org
    \\  /    A nd           | Copyright (C) 2011-2019 OpenFOAM Foundation
     \\/     M anipulation  |
-------------------------------------------------------------------------------
License
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    under the terms of the GNU General Public License as published by
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    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.

    You should have received a copy of the GNU General Public License
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\*---------------------------------------------------------------------------*/

#include "azizChen.H"
#include "addToRunTimeSelectionTable.H"

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

namespace Foam
{
namespace pairPotentials
{

// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //

defineTypeNameAndDebug(azizChen, 0);

addToRunTimeSelectionTable
(
    pairPotential,
    azizChen,
    dictionary
);


// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

azizChen::azizChen
(
    const word& name,
    const dictionary& azizChen
)
:
    pairPotential(name, azizChen),
    azizChenCoeffs_(azizChen.subDict(typeName + "Coeffs")),
    epsilon_(azizChenCoeffs_.template lookup<scalar>("epsilon")),
    rm_(azizChenCoeffs_.template lookup<scalar>("rm")),
    A_(azizChenCoeffs_.template lookup<scalar>("A")),
    alpha_(azizChenCoeffs_.template lookup<scalar>("alpha")),
    C6_(azizChenCoeffs_.template lookup<scalar>("C6")),
    C8_(azizChenCoeffs_.template lookup<scalar>("C8")),
    C10_(azizChenCoeffs_.template lookup<scalar>("C10")),
    D_(azizChenCoeffs_.template lookup<scalar>("D")),
    gamma_(azizChenCoeffs_.template lookup<scalar>("gamma"))
{
    setLookupTables();
}


// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //

scalar azizChen::unscaledEnergy(const scalar r) const
{
    scalar x = r/rm_;

    scalar F = 1.0;

    if (x < D_)
    {
        F = exp(-pow(((D_ / x) - 1.0),2));
    }

    return
        epsilon_
       *(
            A_ * Foam::pow(x, gamma_)*exp(-alpha_*x)
          - (
                (C6_/ Foam::pow(x, 6))
              + (C8_/ Foam::pow(x, 8))
              + (C10_/ Foam::pow(x, 10))
            )
           *F
    );
}


bool azizChen::read(const dictionary& azizChen)
{
    pairPotential::read(azizChen);

    azizChenCoeffs_ = azizChen.subDict(typeName + "Coeffs");

    azizChenCoeffs_.lookup("epsilon") >> epsilon_;
    azizChenCoeffs_.lookup("rm") >> rm_;
    azizChenCoeffs_.lookup("A") >> A_;
    azizChenCoeffs_.lookup("alpha") >> alpha_;
    azizChenCoeffs_.lookup("C6") >> C6_;
    azizChenCoeffs_.lookup("C8") >> C8_;
    azizChenCoeffs_.lookup("C10") >> C10_;
    azizChenCoeffs_.lookup("D") >> D_;
    azizChenCoeffs_.lookup("gamma") >> gamma_;

    return true;
}


// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

} // End namespace pairPotentials
} // End namespace Foam

// ************************************************************************* //