• The institute is using advanced simulation and modelling tools to address the mechanical degradation experienced by active materials during battery operation.

IMDEA Materials is participating in MADBAT (Madrid Competitive, Safe and Sustainable Battery), an initiative funded by the Community of Madrid aimed at fostering a new generation of more efficient, safer and more sustainable lithium-ion batteries.

Coordinated by Tolsa within the Battery Innovation Hub, the project brings together companies, research centres and universities to strengthen the regional value chain in electrochemical energy storage technologies.

Within the consortium, IMDEA Materials is contributing its expertise in advanced simulation, multiphysics modelling and materials development to address one of the key challenges facing next-generation batteries: the mechanical damage caused by the volume changes experienced by active materials during charge and discharge cycles.

“Most active materials in batteries undergo volume changes due to ion intercalation, which is the physical mechanism inherent to battery operation,” explains Dr. Eduardo Roque, postdoctoral researcher in IMDEA Materials’ Multiscale Materials Simulation Group.

“These changes generate internal stresses that can lead to crack formation and other degradation processes, reducing both device performance and service life.”

This issue is particularly relevant in the case of silicon, one of the most promising materials for next-generation battery anodes. Its theoretical energy storage capacity can be up to ten times greater than that of graphite, the material most used today, which could significantly increase the driving range of electric vehicles.

In addition, silicon is an abundant material, which could help reduce Europe’s dependence on critical raw materials. Floatech, the first spin-off of IMDEA Materials and a partner in the MADBAT project, is one of the world’s leading developers of silicon anode technologies.

However, the use of silicon also presents significant challenges. During operation, batteries incorporating silicon can experience volume changes of up to 300%, promoting mechanical damage that limits their commercial deployment.

“Overcoming this limitation would represent a fundamental step towards the use of silicon in batteries for real-world applications,” says Dr. Roque.

To address this challenge, IMDEA Materials is developing advanced computational models capable of predicting the behaviour of materials and batteries across different length scales, from individual active particles to the performance of a complete battery cell.

“These tools will allow us to simulate material swelling, analyse the fracture mechanisms that emerge during operation and establish design criteria to minimise mechanical degradation,” says Dr Roque.

“As a result, it will be possible to make design decisions even before manufacturing the electrodes, drastically reducing the number of experiments required and accelerating the development of new technologies.”

The work will be carried out primarily by the Multiscale Materials Simulation Group, led by Prof. Javier Segurado, which has extensive experience in multiphysics and multiscale modelling applied to advanced materials.

The institute will also participate in experimental activities to obtain material parameters and validate the developed models.

This work will be conducted in collaboration with the Multifunctional Nanocomposites group, led by Dr. Juan José Vilatela, and IMDEA Energy, forming a multidisciplinary team capable of addressing battery materials challenges from theoretical, numerical and experimental perspectives.

The MADBAT consortium is composed of Tolsa, Moeve, IMDEA Energy, IMDEA Materials, Rey Juan Carlos University, Floatech, B5Tec and Empirical Advances, and is supported by an industrial advisory board comprising Stellantis, Ricardo and Técnicas Reunidas.