DiffusionParameters

class DiffusionParameters(vacancy_correlation_factor=None, vacancy_coordination_number=None, interstitial_correlation_factor=None, interstitial_coordination_number=None)

Auxiliary class to provide optional input needed to translate the microscopic quantities into macroscopic diffusion magnitudes.

Parameters:
  • vacancy_correlation_factor – Correlation factor (f) for vacancies.
    Default: 1.0
  • vacancy_coordination_number (int) – Coordination number (Z) for vacancies
    Default: 4
  • interstitial_correlation_factor (float) – Correlation factor (f) for interstitials.
    Default: 1.0
  • interstitial_coordination_number (int) – Coordination number (Z) for interstitials.
    Default: 4
interstitialCoordinationNumber()
Returns:The interstitial coordination number
Return type:int
interstitialCorrelationFactor()
Returns:The interstitial correlation factor
Return type:float
vacancyCoordinationNumber()
Returns:The vacancy coordination number
Return type:int
vacancyCorrelationFactor()
Returns:The vacancy correlation factor
Return type:float