Source code for festim.boundary_conditions.dirichlets.sieverts_bc

from festim import DirichletBC, BoundaryConditionExpression, k_B
import fenics as f
import sympy as sp


def sieverts_law(T, S_0, E_S, pressure):
    S = S_0 * f.exp(-E_S / k_B / T)
    return S * pressure**0.5




class SievertsBC(DirichletBC):
    """Subclass of DirichletBC for Sievert's law

    Args:
        surfaces (list or int): the surfaces of the BC
        S_0 (float): Sievert's constant pre-exponential factor (m-3/Pa0.5)
        E_S (float): Sievert's constant activation energy (eV)
        pressure (float or sp.Expr): hydrogen partial pressure (Pa)
    """

    def __init__(self, surfaces, S_0, E_S, pressure) -> None:
        super().__init__(surfaces, field=0, value=None)
        self.S_0 = S_0
        self.E_S = E_S
        self.pressure = pressure



    def create_expression(self, T):
        pressure = f.Expression(sp.printing.ccode(self.pressure), t=0, degree=1)
        value_BC = BoundaryConditionExpression(
            T,
            sieverts_law,
            S_0=self.S_0,
            E_S=self.E_S,
            pressure=pressure,
        )
        self.expression = value_BC
        self.sub_expressions = [pressure]