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GeoDict User Guide 2025

Battery Capacity Test

Fast charging of batteries reduces the accessible cell capacity. The GeoApp Battery Capacity Test allows prediction and easy comparison of accessible cell capacity for different charge rates. A voltage window can be defined in the same way as it is defined in experiments for a battery or electrode.

A charging profile, consisting of 4 steps is computed for each charge rate:

  1. Charging (delithiation) with constant charge rate till a defined maximum voltage
  2. Charging (delithiation) with constant voltage till a limiting C-rate or maximum time
  3. Relaxation to equilibrium
  4. Discharging (lithiation) with constant charge rate till a defined minimum voltage

Needed Modules:

BatteryDict

Note-Info

Note! Also have a look at our website for more information.

Parameters

Clicking Edit... opens the Battery Capacity Test dialog. At the top, define a Result File Name for the result file and the result folder containing the generated structure and volume fields.

GeoApp_BatteryCapacityTest_Dialog

hmtoggle_arrow0Structure, Materials and Simulation Settings

hmtoggle_arrow0Step 1 and 4, Charging / Delithiation and Discharging / Lithiation with Constant Current

hmtoggle_arrow0Step 2, Charging with Constant Voltage

hmtoggle_arrow0Step 3, Relexation

Results

After successfully running the command, the result file created is opened in the GeoDict Result Viewer.

Under the Results-Report subtab, the file names of all simulations run, and saved in the project folder, are listed. The accessible area-normalized and mass-normalized cell capacities are shown in separate tables for the charging/delithiation and discharging/lithiation.

GeoApp_BatteryCapacityTest_Results_Report

Under the Results - Plots subtab, the results of the simulations are compared in different ways. The whole charge curve for all simulations is shown as Cell potential over time.

GeoApp_BatteryCapacityTest_Results_Plots_cellpotentialovertime

Under the following tabs, the cell potential of all simulations is shown for charging / delithiation and discharging / lithiation separately. First as cell potential over the cell state of charge, and then over the area-normalized and mass-normalized cell capacity density.

The two tabs Accessible area-normalized cell capacity and Accessible mass-normalized cell capacity over charge rate for charging and discharging, compare the accessible capacities for the different simulations. These values are also listed in the Report.

Finally, the plot under the last tab shows the Power density over the energy density computed for the charging step 1, charging with constant charge rate.

GeoApp_BatteryCapacityTest_PowerDensity

In the Result Folder find the intermediate results from the charging simulations for the different charging steps:

GeoApp_BatteryCapacityTest_ResultFolder

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