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Advancing battery designs with electrochemical simulation solution

By Michelle Froese | November 25, 2024

Hexagon has announced a new battery cell design solution that combines its multi-physics material simulation and metrology software with Fraunhofer ITWM’s electro-chemical simulation technology to significantly accelerate new battery cell research and development programs.

Bringing a new battery cell product to market is highly complex and time-consuming. The R&D processes are lengthy and comprise the design of experiments (DoE) using first-principles simulations to discover new electrochemical designs, which are tested through physical trial-and-error in a laboratory.

Many steps in the cell manufacturing process can affect not only the rejection rate but also the performance of the cell.

Hexagon’s new electro-chemical battery design solution integrates Fraunhofer ITWM’s Battery and Electrochemistry Simulation Tool (BEST) solver within Hexagon’s Digital Materials suite, enabling efficient multi-physics exploration of cell designs while accounting for effects from manufacturing processes.

This “virtual laboratory” has significant cost and productivity benefits. Through a single user interface, customers can model the microstructure of the electrodes through to the complete assembly of the cell (electrolyte, separator, active material, binder, current collector) from an embedded library of battery materials and explore the impact that alterations in material properties and battery microstructure have, including:

  • Enhancing performance outcomes such as energy efficiency, lifespan, optimal charging protocols by selecting appropriate materials and configurations, including particle size distribution and carbon binder distribution.
  • Examining how manufacturing processes affect the cell microstructure, including the ability to reverse engineer the internal structure of manufactured cells from a CT scan using Hexagon’s powerful VGSTUDIO MAX 3D metrology software
  • Investigating battery ageing and the safety implications of cell design to inform the creation of an optimal charging protocol for the battery management system

The new solution integrates Frauenhofer ITWM’s BEST solver into Hexagon’s Digimat material behavior modeling software — part of its HxGN Digital Materials suite. From a single user interface, users can simulate the electrochemistry of a cell’s constituent microstructure, electrolyte, separator, active material, binder, and current collector for common lithium-ion cell configurations, as well as zinc and sodium battery chemistries, using Fraunhofer ITWM’s advanced electrochemical modelling techniques.

Digimat includes a library of common material properties that can be extended within the software or using Hexagon’s MaterialCenter and Materials Connect material data management software. Microstructures can be either imported from CT scan analyses using VGSTUDIO MAX or created directly in Digimat.

Additionally, battery design teams can apply their microstructure model developed in Digimat to further investigate mechanical property characterization. Macro-scale material behavior can be assessed using a Representative Volume Element (RVE), extending the model’s capability for structural analyses of the cell by embedding a simplified Digimat material model into the relevant mechanical analysis software.

As such, mechanical engineers can evaluate the mechanical performance of the jelly roll to optimize the mechanical design and safety of the battery based on accurate material properties.

 

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Filed Under: Batteries, Technology News
Tagged With: fraunhoferitwm, hexagon
 

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