Hexagon and Fraunhofer ITWM accelerate new battery design with electrochemical simulation solution

• New software solution enables R&D departments to reduce expensive lab tests by simulating the electrochemical performance of new cell designs, accelerating the discovery of advanced battery technologies
•  Virtual design exploration makes it easier to understand how changes to a cell’s internal morphology (particle size, shape, surface area) impact performance
• Manufacturers can reduce costly trial-and-error using a digital twin to understand the effect that manufacturing processes have on the quality and performance of cells

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

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

Guillaume Boisot, Senior Director Materials & Platforms, commented: “The design and development of cells involve significant challenges due to the complex trade-offs between materials and electrochemical design, mechanical design and manufacturing processes. Much of this complex process has historically relied on trial and error, but through our partnership with Fraunhofer ITWM we believe we can help R&D teams pursue better performing battery cell designs, and develop them faster with rapid feedback from prototypes.”

Subham Sett, Vice President Multiphysics at Hexagon added: “Battery performance and quality are competitive differentiators, particularly in the automotive market. We’ve invested in our thermal management and runaway simulations, and with this new addition we believe we can help manufacturers get a more holistic view of these multiphysics interactions on their journey to shift left in the design process.”

Dr. Jochen Zausch, Fraunhofer ITWM commented : “We have enjoyed an excellent technical collaboration to bring our highly trusted BEST battery electrochemistry solver capabilities into Hexagon’s innovative material modelling software, and we look forward to helping drive forward new battery innovation faster with this comprehensive simulation workflow.”

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.  In this way, mechanical engineers can evaluate the mechanical performance of the jelly roll to optimise the mechanical design and safety of the battery based on accurate material properties.
 
Learn more at https://hexagon.com/resources/resource-library/battery-modelling-and-design-solutions