Materials

class Material(id, D_0, E_D, S_0=None, E_S=None, thermal_cond=None, heat_capacity=None, rho=None, borders=None, Q=None, solubility_law='sievert', name=None)

Bases: object

Parameters:

• id (int, list) – the id of the material. If a list is provided, the properties will be applied to all the subdomains with the corresponding ids.

• D_0 (float) – diffusion coefficient pre-exponential factor (m2/s)

• E_D (float) – diffusion coefficient activation energy (eV)

• S_0 (float, optional) – Solubility pre-exponential factor (H/m3/Pa0.5). Defaults to None.

• E_S (float, optional) – Solubility activation energy (eV). Defaults to None.

• thermal_cond (float or callable, optional) – thermal conductivity (W/m/K). Can be a function of T. Defaults to None.

• heat_capacity (float or callable, optional) – heat capacity (J/K/kg). Can be a function of T. Defaults to None.

• rho (float or callable, optional) – volumetric density (kg/m3). Can be a function of T. Defaults to None.

• borders (list, optional) – The borders of the 1D subdomain. Only needed in 1D with several materials. Defaults to None.

• Q (float or callable, optional) – heat of transport (eV). Can be a function of T. Defaults to None.

• solubility_law (str, optional) – the material’s solubility law. Can be “henry” or “sievert”. Defaults to “sievert”.

• name (str, optional) – name of the material. Defaults to None.

Example:

my_mat = Material(
    id=1,
    D_0=2e-7,
    E_D=0.2,
    thermal_cond=lambda T: 3 * T + 2,
    heat_capacity=lambda T: 4 * T + 8,
    rho=lambda T: 7 * T + 5,
    Q=lambda T: -0.5 * T**2,
)

check_properties()

Checks that if S_0 is None E_S is not None and reverse.

Raises:

• ValueError – [description]

• ValueError – [description]

class Materials(*args)

Bases: list

A list of festim.Material objects

append(item)

Append object to the end of the list.

check_borders(size)

Checks that the borders of the materials match

Parameters:

size (float) – size of the 1D domain

Raises:

• ValueError – if the borders don’t begin at zero

• ValueError – if borders don’t match

• ValueError – if borders don’t end at size

Returns:

bool – True if everything’s alright

check_consistency()

Checks that materials have the same attributes

check_for_unused_properties(T: Temperature, derived_quantities: list)

Warns users if properties will be ignored

Parameters:

• T (festim.Temperature) – the temperature

• derived_quantities (list) – list of festim.DerivedQuantity objects

check_materials(T: Temperature, derived_quantities: list = [])

Checks the materials keys

Parameters:

• T (festim.Temperature) – the temperature

• derived_quantities (list) – list of festim.DerivedQuantity objects the derived quantities. Defaults to [].

check_missing_properties(T: Temperature, derived_quantities: list)

Checks if the materials miss some properties

Parameters:

• T (festim.Temperature) – the temperature

• derived_quantities (list) – list of festim.DerivedQuantity objects

Raises:

ValueError – if thermal_cond, heat_capacity or rho is None when needed

create_properties(vm, T)

Creates the properties fields needed for post processing

Parameters:

• markers (vm {fenics.MeshFunction()} -- volume)

• temperature (T {fenics.Function()} --)

create_solubility_law_markers(mesh: Mesh)

Creates the attributes henry_marker and sievert_marker These fenics.Function are equal to one or zero depending on the material solubility_law

Parameters:

mesh (festim.Mesh) – the mesh

extend(other)

Extend list by appending elements from the iterable.

find_material(mat: int | str | Material)

Returns the correct festim.Material object based on either an id, a name

Parameters:

mat (Union[int, str, Material]) – the material tag

Returns:

the matching material

Return type:

festim.Material

find_material_from_id(mat_id)

Returns the material from a given id

Parameters:

mat_id (int) – id of the wanted material

Raises:

ValueError – if the id isn’t found

Returns:

the material that has the id mat_id

Return type:

festim.Material

find_material_from_name(name)

Returns the material with the correct name

Parameters:

name (str) – the name of the material

Raises:

ValueError – when no match was found

Returns:

the material object

Return type:

festim.Material

find_subdomain_from_x_coordinate(x)

Finds the correct subdomain at a given x coordinate

Parameters:

x (float) – the x coordinate

Returns:

the corresponding subdomain id

Return type:

int

insert(index, item)

Insert object before index.

solubility_as_function(mesh, T)

Makes solubility as a fenics.Function and stores it in S attribute