Projects / Programmes
Next-generation electrochemical LiFePO4 battery model
Code |
Science |
Field |
Subfield |
2.03.00 |
Engineering sciences and technologies |
Energy engineering |
|
Code |
Science |
Field |
T140 |
Technological sciences |
Energy research |
Code |
Science |
Field |
2.03 |
Engineering and Technology |
Mechanical engineering |
Insertion batteries; LiFePO4; modeling; experiments; multi-scale; validation based model development
Researchers (9)
no. |
Code |
Name and surname |
Research area |
Role |
Period |
No. of publicationsNo. of publications |
1. |
00582 |
PhD Miran Gaberšček |
Materials science and technology |
Researcher |
2017 - 2020 |
900 |
2. |
23468 |
PhD Tomaž Katrašnik |
Energy engineering |
Head |
2017 - 2020 |
671 |
3. |
34443 |
PhD Ambrož Kregar |
Energy engineering |
Researcher |
2017 - 2020 |
74 |
4. |
39813 |
Igor Mele |
Materials science and technology |
Researcher |
2018 - 2020 |
54 |
5. |
28561 |
PhD Jože Moškon |
Materials science and technology |
Researcher |
2017 - 2020 |
87 |
6. |
37779 |
PhD Francisco Ruiz Zepeda |
Materials science and technology |
Researcher |
2017 - 2019 |
233 |
7. |
33516 |
PhD Tine Seljak |
Energy engineering |
Researcher |
2017 - 2019 |
193 |
8. |
32069 |
PhD Gregor Tavčar |
Energy engineering |
Researcher |
2017 - 2020 |
46 |
9. |
35386 |
PhD Klemen Zelič |
Energy engineering |
Researcher |
2019 |
56 |
Organisations (2)
Abstract
LiFePO4 cells and other insertion batteries are currently considered as a main battery technology in battery electric vehicles and many other mobile applications. Despite their widespread use, basic phenomena in the cells are still not resolved. This does not only present scientific challenges but, to a much larger extent, also invokes direct societal challenges. Battery safety is namely one of the major implications, whereas incomplete understanding of underlying mechanisms hinders optimisation of the components and, even more importantly, their proper use, control and conditioning. Therefore, it is very clear that besides activities in exploring new materials also activities related to understanding and predicting the underlying phenomena are crucial.
The seminal work of two of the researchers of this project provided thermodynamic foundation for understanding particle-by-particle (dis)charging in insertion batteries. This opened new perspectives in understanding inhomogeneous (dis)charging of particles in electrodes that inherently decouple global currents and local current densities. Furthermore, this finding is a key prerequisite for plausible degradation analyses and predictions, as it is not the global cycle rate, but local current per active area, that determines the extent of side reactions, hotspots, shocks and fractures. At present, the community is faced with unusual situation where many details about the processes occurring on nanoscale have been provided, however, the links between these local properties and a general electrochemical output are critically missing. This problem only intensifies when prediction of battery behaviour is needed at non-standard conditions (high temperatures, prolonged cycling/aging etc.).
To efficiently tackle this challenge, this interdisciplinary project brings together researchers from the material science on one end and energy engineering and modelling on the other. The main goal is to bridge the gap between recent knowledge on the nanoscale and the need for higher fidelity models on the engineering level. The main deliverable of this project will thus be an innovative next-generation predictive model for modelling the electrochemical, transport and thermal phenomena including side-reactions in insertion batteries, which is capable of supporting electrode engineering on the cell level.
To comply with these objectives a multi-scaling modelling approach will be applied on the cell level. It is estimated that three different scales ranging from the particle over electrode to the cell level are needed to efficiently model all cell relevant phenomena. The project thus, for the first time, bridges the scales “from particle to cell”. Additionally, it innovatively matches and validates models on these scales with original experiments. The proposed project thus features a significant direct scientific impact by pushing the boundaries in modelling of insertion batteries through innovative modelling aspects, innovative experiments and innovative validation driven model development fostering advanced interaction of models and experiments.
Thereby, it will be for the first time possible to predict macroscopic output on the level of cell, while consistently complying with the nanoscopic phenomena. In addition, elaborated model reduction strategies, which will allow tailoring of the modelling depth to the intended application, and model connectivity, further promote scientific and also applied significance of the project. Therefore, the proposed project also features a direct benefit for industry with the end goal being societal benefits.
This project extends the knowledge horizon in the area of LiFePO4 batteries, however findings can be applied also to other insertion battery materials. The project can thus be considered as a significant contribution to development of next generation of more powerful, durable, stable and safe batteries.
Significance for science
The proposed project contributes to new research directions in multiple means. It pushes the boundaries of modelling and understanding of phenomena in insertion batteries and thereby besides delivering clear contributions beyond state-of-the-art, which open new perspectives, also initiates and provides basic guidelines for bridging the gap between basic material science and application of this science in terms of models used in engineering environment. It furthermore, for the first time bridges the scales from particle to the cell level, and even more importantly, it innovatively matches and validates models on these scales with original experiments. The proposed innovative next-generation predictive model for modelling electrochemical, transport and thermal phenomena including side-reactions in insertion batteries is thus inherently innovative, which is also clearly stated in a structured manner with description of each Work package in Section 13 of this proposal.
Listed features of the innovative model are crucial for plausibly analysing and interpreting the local phenomena as well as for interrelating them with the cell level phenomena, which are the key elements that will enhance the knowledge basis in the area of insertion batteries. Innovative coupling of models for simulating electrochemical, transport, thermal and side-reaction phenomena will thus push the boundaries in terms of improved understanding and design capabilities for higher performance and lower cost of batteries as well as provide the basis for virtual safety analyses. Thereby, it will be for the first time possible to predict macroscopic output on the level of cell, while consistently complying with the nanoscopic phenomena. All these features clearly more systematically support development of next generation of more powerful, durable, stable and safe batteries.
As both project partners are strongly linked to the international electrochemical and engineering community, project deliverables will be promoted in the international projects within the electrochemical society and in projects with major providers of professional modelling tools for vehicle powertrains. This will generate a multiplicative scientific effect of the project results.
Proposed project thus features a significant direct scientific impact by pushing the boundaries in modelling of insertion batteries through innovative modelling aspects, innovative experiments and innovative validation driven model development fostering advanced interaction of models and experiments.
Significance for the country
Relevance and the potential impact of the project results are very significant. LiFePO4 cells and other insertion batteries are currently considered as a main battery technology in battery electric vehicles and many other mobile applications. Despite their widespread use, basic phenomena in the cells are still not resolved, which does not only pose scientific but to a much bigger extend also direct societal challenges. Safety of the batteries is namely one of the major implications, whereas incomplete understanding of underlying mechanisms hinders optimisation of the components and even more importantly their proper use, control and conditioning. Additionally, fast charging, being one of the important implications of electromobility, aggravates safety aspects and certainly calls for optimisation of not only the cell design but of the entire system including electrical and thermal aspects of the battery management systems, which are another important future application area of high fidelity system level battery models.
The proposed innovative simulation model will feature also a direct benefit for industry as it will for the first time predict macroscopic output on the level of the cell, while consistently complying with the nanoscopic phenomena. Furthermore, elaborated model reduction strategies and connectivity as well as interoperability of the models additionally promote significance of the developed model for industrial applications with the end goal being societal benefits.
The deliverables of the project, which will push the boundaries of knowledge in the area of insertion batteries and provide virtual tools for higher fidelity exploration of the design space on the cell level, will thus importantly support development of more powerful, durable, stable and safe batteries. The developed model allows for approaching engineering limits with higher certainty compared to the existing models. Furthermore, the developed model allows for more efficient and accurate optimization of interactions between different domains in the virtual environment and thus also enables development of battery packs featuring higher efficiency and performance. Due to these features the deliverables of the project simultaneously reduce development time and number of iterations and thus costs. Furthermore, deliverables of the project will also contribute to reduced efforts on physical testing and also prevent issues rather than mitigating them, which additionally reduces development costs and time.
Economical and societal benefits of the project will, besides publication, be promoted also through the transfer of the basic and applied knowledge in products of domestic and international partners. Both partners are namely strongly involved in industrial projects. Similar to other models developed by the LICeM, it is most likely that a specific configuration of the developed modelling will in the future also be implemented in the professional commercial simulation tools.
Most important scientific results
Final report
Most important socioeconomically and culturally relevant results
Interim report,
final report