srim.core package

Submodules

srim.core.element module

class srim.core.element.Element(identifier, mass=None)

Bases: object

Element from periodic table

Parameters:

• identifier (str, int) – Symbol, Name, or Atomic Number of element
• mass (float, optional) – Mass [amu] of element. Default is most common isotope atomic weight

Examples

Constructing a Helium Atom.

>>> Element('He')
<Element symbol:He name:Helium mass:4.00>

>>> Element('Helium')
<Element symbol:He name:Helium mass:4.00>

>>> Element(2)
<Element symbol:He name:Helium mass:4.00>

>>> Element('He', 4.3)
<Element symbol:He name:Helium mass:4.30>

atomic_number

Element’s atomic number

mass

Element’s mass

name

Element’s formal name

symbol

Element’s atomic symbol

srim.core.elementdb module

class srim.core.elementdb.ElementDB

Bases: object

Element database at srim.data.elements.yaml

classmethod lookup(identifier)

Looks up element from symbol, name, or atomic number

Parameters:identifier (str, int) – Unique symbol, name, or atomic number of element

Notes

This class is used for creation of elements, ions, etc. but generally will not be needed by the user.

srim.core.elementdb.create_elementdb()

srim.core.ion module

class srim.core.ion.Ion(identifier, energy, mass=None)

Bases: srim.core.element.Element

Representation of ion traveling through medium

Similar to srim.core.element.Element but associates an energy with the element.

Parameters:

• identifier (str, int) – Symbol, Name, or Atomic Number of ion
• energy (float) – Energy [eV] of ion
• mass (float, optional) – Mass [amu] of element. Default is most common isotope atomic weight

Examples

Constructing a Helium Ion.

>>> Ion('He', 1e6)
"<Ion element:He mass:4.00 energy:1.00e6 eV>"

>>> Ion('He', energy=1e6, mass=4.2)
"<Ion element:He mass:4.20 energy:1.00e6 eV>"

energy

Ion’s energy [eV]

velocity

Ion’s velocity [m/s]

srim.core.layer module

class srim.core.layer.Layer(elements, density, width, phase=0, name=None)

Bases: srim.core.material.Material

Represents a layer in target

Parameters:

• elements (dict) –

  dictionary of elements (srim.core.elements.Element, str, or int) with properties

  • stoich (float, int, required): Stoichiometry of element (fraction)
  • E_d (float, int, optional): Displacement energy [eV] default 25.0 eV
  • lattice (float, int, optional): Lattice binding energies [eV] default 0.0 eV
  • surface (float, int, optional): Surface binding energies [eV] default 3.0 eV

• density (float) – density [g/cm^3] of material
• width (float) – width [Angstroms] of layer
• phase (int) – phase of material (solid = 0, gas = 1). Default solid (0).
• name (:obj:`str:, optional) – name of the Layer (defaults to chemical_formula)

Examples

Construct a layer of SiC with experimental values.

>>> Layer({
    'Si': {
       'stoich': 0.5,
       'E_d': 35.0, # Displacement Energy [eV]
       'lattice': 0.0,
       'surface': 3.0
    },
    'C': {
       'stoich': 0.5,
       'E_d': 20.0, # Displacement Energy [eV]
       'lattice': 0.0,
       'surface': 3.0
}, density=3.21, width=10000.0)

classmethod from_formula(chemical_formula, density, width, phase=0, name=None)

Creation Layer from chemical formula string, density, width, phase, and name

Parameters:

• chemical_formula (str) – see srim.core.material.Material.from_formula() for allowed formulas. Quite flexible.
• density (float) – density [g/cm^3] of material
• width (float) – width [Angstroms] of layer
• phase (int) – phase of material (solid = 0, gas = 1). Default solid (0).
• name (:obj:`str:, optional) – name of the Layer (defaults to chemical_formula)

Notes

This method is not used as much since you do not have an easy way to set the displacement energy.

name

Layer’s Name

width

Layer’s width

srim.core.material module

class srim.core.material.Material(elements, density, phase=0)

Bases: object

Material Representation

chemical_formula

Material’s chemical formula

density

Material’s density

classmethod from_formula(chemical_formula, density, phase=0)

Creation Material from chemical formula string and density

Parameters:

• chemical_formula (str) – chemical formula string in specific format
• density (float) – density [g/cm^3] of material
• phase (int, optional) – phase of material (solid = 0, gas = 1). Default solid (0).

Notes

Examples of chemical_formula that can be used:

• SiC
• CO2
• AuFe1.5
• Al10.0Fe90.0

Chemical Formula will be normalized to 1.0

phase

Material’s phase

srim.core.target module

class srim.core.target.Target(layers)

Bases: object

Target that Ion Impacts

Parameters:layers (list) – list of srim.core.layer.Layer to construct Target

Examples

Lets construct a SiC target. While only one layer is shown an arbitrary number of them can be used.

>>> Target([Layer({
    'Si': {
       'stoich': 0.5,
       'E_d': 35.0, # Displacement Energy [eV]
       'lattice': 0.0,
       'surface': 3.0
    },
    'C': {
       'stoich': 0.5,
       'E_d': 20.0, # Displacement Energy [eV]
       'lattice': 0.0,
       'surface': 3.0
}, density=3.21, width=10000.0)])

width

total width of target (sum of layers)

srim.core.units module

Units module to convert some SI units to SRIM units

• eV <-> J/eV
• amu <-> kg/amu

srim.core.utils module

Utility functions that are used to construct Target and Ion

srim.core.utils.check_input(input_type, condition, value)

srim.core.utils.is_greater_than_zero(value)

srim.core.utils.is_one_to_eight(value)

srim.core.utils.is_one_to_seven(value)

srim.core.utils.is_positive(value)

srim.core.utils.is_quoteless(value)

srim.core.utils.is_srim_degrees(value)

srim.core.utils.is_zero(value)

srim.core.utils.is_zero_or_one(value)

srim.core.utils.is_zero_to_five(value)

srim.core.utils.is_zero_to_two(value)

Module contents