GeoDict for Batteries

Digital solutions for battery research and development

Energy storage systems are crucial for the global energy strategy. The battery is ever-present and it is impossible to imagine our daily lives without it: from cell phones to electric cars. Every single application comes with its own requirements regarding the properties of the battery and different stress profiles that affect the life of the battery materials, each with their own advantages and disadvantages.

Particularly with the current transition, from using fossil fuels to electromobility, special demands are placed on the materials and storage systems.

Innovative solutions are required to meet the demands on energy storage systems in the future, for

  • challenging loading profiles
  • safety of battery modules
  • durability
  • more environmentally friendly and efficient materials
  • reduction of size and weight
  • increase of energy capacity

After understanding the underlying processes within the battery, we can specifically engineer and assemble the battery materials to obtain the desired properties.

GeoDict enables the investigation, understanding and improvement of battery materials at the micro level. Get unique insights into the fundamental functional processes and interactions of existing battery materials from digital twins and statistical twins, and be one step ahead thanks to 3D modeling of digital prototypes.

GeoDict for battery materials

Overview - Highlights of the GeoDict® solution

Improve battery materials for superior charge time, performance, and lifetime.

GeoDict enables mapping of the entire digital material development workflow in one easy-to-use software solution. From digital twin to successful digital prototype, GeoDict provides the needed tools. Develop the battery materials of tomorrow according to given requirements.

Supplement cost- and time-intensive experiments with simulations!

Simulations offer unrestricted insights into the inner processes and modes of operation of the battery material, which laboratory experiments are unable to provide. Use the knowledge gained from simulations to directly identify and improve weak points. And without the costly and time-consuming production and testing of prototypes.

Narrow and target the selection of real prototypes!

A robust validation requires confirmation of results from multiple sources, which is why laboratory experiments are and will remain useful and necessary. However, with the help of GeoDict, time and costs for the production of unnecessary prototypes are drastically reduced. Verification is done only on a targeted pre-selection of promising prototypes based on simulation results.

Develop battery materials for the highest demands - simply digitally!

With GeoDict, get a unique complete package which supports digitally all steps from material analysis to material development. In doing so, GeoDict fulfills all requirements of a scientific software for solving complex problems. Thanks to clear and user-friendly interfaces, tailored to the demands of scientific staff and engineers, it is simple to focus on what is important - developing the battery materials of tomorrow.

Digital battery materials development with GeoDict

Not satisfied with your material? Use the data and results to develop the next generation of battery materials with the help of the material design modules - simply, digitally. GeoDict provides all the tools for import, image processing, material analysis, material development and property prediction of 3D image data, digital twins and digital prototypes in one clear and easy-to-use complete solution.

The microstructure of battery materials can stem from 3D imaging such as micro-CT and FIB-SEM, or be modeled directly digitally from scratch using GeoDict's unique material design modules. The performance and characteristics of the battery materials are quickly and precisely determined through the comprehensive analysis and property prediction modules of GeoDict. Thanks to detailed visualization of quantitative simulation data, all details of the results are easily examined.

BatteryDict – The tool for battery development

With BatteryDict, GeoDict's property prediction module for battery materials and battery systems, new unique insights into battery materials are gained at the microstructure level. By analyzing the electron and ion movements within the active materials (electrolyte and binder), the complex interaction of these transport processes can be clearly visualized and quickly and easily evaluated. Based on the findings of these processes, the further development of battery materials can then be driven forward in a targeted manner. With the material design modules, the Geo modules, GeoDict offers the possibility of directly implementing these findings in digital material prototypes and then testing them again.

Superior digital material development:

The material design modules, the Geo-Modules, offer the possibility to digitize and improve all battery materials.

Use 3D image data as a starting point and analyze the properties of materials directly on the gray-scale images. Simulations are run on the digital twin of the material to make precise property predictions.

When developing digital prototypes, the "Find" modules of GeoDict (FiberFind, GrainFind) act as an intelligent interface to turn data into information. For example, use statistical information about the battery material obtained with GrainFind or FiberFind to create statistical twins with GeoDict's material design modules. Then, findings from digital experiments are directly translated into digital material prototypes and then tested again.

Re-validation of the electrode design:

BatteryDict's Electrode Designer makes possible to identify problematic electrode and material configurations while creating digital battery cell. This saves time by only testing the digital prototypes that have merit.

Charge and discharge behavior:

BEST, the Battery and Electrochemistry Simulation Tool, with its solvers BESTmicro and BESTmicroFFT, is used for physics-based battery simulation. BEST has been developed at Fraunhofer ITWM in Kaiserslautern by Dr. Jochen Zausch and his team since 2011. BEST is used to solve non-linear partial differential equations on the voxel grid via simulations and to analyze the transport of electrons and ions within the battery on the microstructure level.

Since the GeoDict 2021 release, the well-known LIR solver has been made available for battery simulations. The new Battery-LIR (BLIR) works similarly to the BEST solver with the Newton method and the Butler-Volmer conditions for the efficient calculation between the different material interfaces. These enhancements will at the same time have a positive impact on the efficiency of conductivity and flow calculations in the future.

Transport path analysis:

How fast a battery charges and how high is the capacity of a battery is closely related to the efficiency of the materials of the electrodes. Insights into the path of lithium currents and electron currents within the battery materials are used to identify bottlenecks in the transport paths and overpotentials that lead to lithium plating. In this process, sections of the active material are isolated and not accessible to the ions, and the capacity of the battery falls short of its potential.

This information is extremely valuable to make better decisions in developing the correct design of battery materials with the desired characteristics and properties.

Battery aging:

Battery materials are subjected to constant mechanical processes. The resulting problems, such as narrowing of transport paths and damage to the active material, play a critical role in the performance and durability of the battery. To address these issues, Math2Market participates with the ETH in the publicly funded project SOLVED!. Our approach is to analyze the microstructure of modern NMC cathode and graphite anodes and use the experimental data to validate degradation simulations that calculate local volumetric changes and damage due to lithium deposition. Based on this process, new prototype materials can be designed and optimized.

After the SOLVED! project finishes, GeoDict users in R&D will be able to simulate battery aging during cycling and develop optimized prototype electrodes that have superior performance and lifetime!

The GeoDict® package for battery development

With the GeoDict Base Package for basic functionality, the following GeoDict modules form a package for battery materials research that has been compiled for the simulation of electrochemical processes. It includes modules for image processing and analysis and material modeling modules to import and design 3D models, as well as the material properties modules to characterize and predict material properties.

Module Recommendations
Image Processing and Image Analysis ImportGeo-Vol
Material Design* GrainGeo FiberGeo WeaveGeo
Material Analysis GrainFind - AI FiberFind - AI PoroDict + MatDict
Property Simulation* DiffuDict ConductoDict FlowDict ElastoDict AddiDict SatuDict

* suitable modules depend on the concrete application.