Properties#

Property classes#

class h_transport_materials.Property(material: str = '', source: str = '', name: str = '', range: Optional[tuple] = None, year: Optional[int] = None, isotope: Optional[str] = None, author: str = '', note: Optional[str] = None)[source]#

Bases: object

Base Property class

Parameters

  • material (str, optional) – name of the material. Defaults to “”.

  • source (str, optional) – bibliographic reference. Defaults to “”.

  • name (str, optional) – name of the property. Defaults to “”.

  • range (tuple, optional) – temperature validity range in K. Defaults to None.

  • year (int, optional) – year of publication. Defaults to None.

  • isotope (str, optional) – isotope of the property (“H”, “D” or “T”). Defaults to None.

  • author (str, optional) – name of the author. Defaults to “”.

  • note (str, optional) – additional information. Defaults to None.

export_bib(filename: str)[source]#

Exports the property reference to bib

Parameters

filename (str) – the filename

Raises

ValueError – if the property bibsource attribute is None

class h_transport_materials.ArrheniusProperty(pre_exp: Optional[float] = None, act_energy: Optional[float] = None, data_T: Optional[list] = None, data_y: Optional[list] = None, **kwargs)[source]#

Bases: h_transport_materials.property.Property

Arrhenius type Property value = pre_exp * exp( - act_energy/(k_B T) )

Parameters

  • pre_exp (float or pint.Quantity, optional) – the pre-exponential factor. Defaults to None.

  • act_energy (float or pint.Quantity, optional) – the activation energy. Defaults to None.

  • data_T (list, optional) – list of temperatures in K. Used to automatically fit experimental points. Defaults to None.

  • data_y (list, optional) – list of y data. Used to automatically fit experimental points. Defaults to None.

  • kwargs – other Property arguments

class h_transport_materials.property.Diffusivity(D_0: Optional[float] = None, E_D: Optional[float] = None, **kwargs)[source]#

Bases: h_transport_materials.property.ArrheniusProperty

Diffusivity class

Parameters

  • D_0 (float or pint.Quantity, optional) – pre-exponential factor. Defaults to None.

  • E_D (float or pint.Quantity, optional) – activation energy. Defaults to None.

class h_transport_materials.property.DissociationCoeff(**kwargs)[source]#

Bases: h_transport_materials.property.ArrheniusProperty

DissociationCoeff class

class h_transport_materials.property.Permeability(**kwargs)[source]#

Bases: h_transport_materials.property.ArrheniusProperty

Permeability class

class h_transport_materials.property.RecombinationCoeff(**kwargs)[source]#

Bases: h_transport_materials.property.ArrheniusProperty

RecombinationCoeff class

class h_transport_materials.property.Solubility(units: str, S_0: Optional[float] = None, E_S: Optional[float] = None, **kwargs)[source]#

Bases: h_transport_materials.property.ArrheniusProperty

Solubility class

Parameters

  • units (str) – units of the solubility “m-3 Pa-1/2” or “m-3 Pa-1”.

  • S_0 (float or pint.Quantity, optional) – pre-exponential factor. Defaults to None.

  • E_S (float or pint.Quantity, optional) – activation energy. Defaults to None.

h_transport_materials.property.get_nb_citations(doi: str)[source]#

Returns the number of citations of a given doi in the crossref database

Parameters

doi (str) – the DOI of the source

Returns

the number of citations according to crossref

Return type

int

Groups of properties#

class h_transport_materials.properties_group.PropertiesGroup(iterable=(), /)[source]#

Bases: list

export_bib(filename: str)[source]#

Exports the bibliography data

Parameters

filename (str) – the path of the exported file

filter(exclude=False, **kwargs)[source]#

Returns properties that match the specified arguments. Usage:

group = htm.diffusivities

# filter tungsten and authors esteban or heinola
filtered_props = group.filter(material="tungsten").filter(author=["esteban", "heinola"])

# exclude isotope T
filtered_props = filtered_props.filter(exclude=True, isotope="T")

my_prop = filtered_props[0]
Parameters

  • exclude (bool, optional) – if True, the searched keys will be excluded. Defaults to False.

  • kwargs – attributes of properties (ex: material=”tungsten”). String values must be lowercase to ensure good comparison.

Returns

the resulting properties

Return type

PropertiesGroup

mean(samples_per_line=5, default_range=(300, 1200))[source]#

Fits all the data and returns the mean pre-exponential factor and activation energy.

Parameters

  • samples_per_line (int, optional) – number of points taken per Property if it doesn’t have any data. Defaults to 5.

  • default_range (tuple, optional) – temperature range taken if a Property doesn’t have range. Defaults to (300, 1200).

Returns

the mean arrhenius property

Return type

ArrheniusProperty