GeoDict Material Database

with materials property information for simulation accuracy

Assigning the material property data of the constituent materials is essential to ensure accurate predictive simulations, and as important as modeling the detailed precise microstructure and correctly solving the partial differential equations (PDE).

In GeoDict, these material properties are supplied by a build-in constituent material property database. In this database, the user finds established values for material properties such as density, viscosity, conductivity and tortuosity. More advanced and complex properties for use in mechanical and electrochemical simulations are also available.

The material properties in the database provided by Math2Market are carefully reviewed and maintained by specialized application engineers and the corresponding references are also found in the database. Moreover, any user can expand the database by adding new custom or proprietary materials to be used across teams for all kinds of simulations with GeoDict.

Material database use

When using the database, the user assigns the material phase in the 3D geometry to the corresponding material and its properties, and the desired simulation is started. Up to 256 material phases may be defined for one 3D geometry, and their material properties are automatically set and used in the simulations. In this way, the database provides reliable and accurate simulation results, based on validated materials property data.

Figure 2 and Figure 3 show the microstructure of a Li-ion cathode and how the simulation results change by exchanging the constituent materials in the microstructure, and thus, their material properties, via the material database.

Figure 3. Comparison of two charging simulations on the same microstructure model of a Li-ion cathode when NMC333+NCA (red line) or LCO (blue line) are used as active material. Observe the strong change in charging behavior due to the material, and the linked properties, assigned to the active material in the microstructure.