Open Circuit Potential Interpolants

class ionworkspipeline.calculations.OCPDataInterpolant(electrode, data, options=None)

Create an interpolant for the open-circuit voltage (OCP) from data.

Parameters

electrodestr

The electrode to create the interpolant for, either “positive” or “negative”.

datapandas.DataFrame

The data to use for the interpolant. Must have columns “Stoichiometry” and “Voltage [V]”.

optionsdict, optional

A dictionary of options to pass to the calculation.

• tolerance: float

  The tolerance to use when restricting the data to avoid interpolation issues. Default is 1e-6.

• direction: str

  The direction of the OCP, either “lithiation” or “delithiation”. Default is None, which means no directionality is assumed.

Extends: ionworkspipeline.calculations.calculation.Calculation

calculations.ocp_data_interpolant_from_csv(data_path, options=None)

class ionworkspipeline.calculations.OCPMSMRInterpolant(electrode, voltage_limits, interpolator='linear')