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[2020 advanced battery materials Forum] material virtual simulation "enabling" battery technology development


The innovation of core key materials is related to the development prospect of lithium battery industry. The industrialization and cost reduction of new materials have also become the focus of the development of the whole industry chain.

August 26-27,2020 advanced battery material Cluster Industry Development ForumHeld at Hyatt Regency Shenzhen airport. The conference was hosted by Shenzhen advanced battery material industry cluster and jointly organized by Shenzhen fresh Power Research Institute, high tech lithium battery and high tech hydrogen battery.

Focusing on the innovative technology and industrial prospects of the core and key materials of batteries,Yang Lei, chief engineer of Shenzhen Puhua System Technology Co., Ltd. (China partner of Dassault system)Make a keynote speech entitled "data science helps battery material research and development".

"Multi scale computing simulation platform and data flow tools can significantly reduce physical experiments in the field of materials, reduce research and development costs, shorten the cycle of product innovation and design, and enhance product competitiveness." Yang Lei pointed out that compared with the actual trial and error to optimize material properties, the simulation first cost is lower.

At present, the ability of molecular simulation calculation is limited by methods and computational power, which requires effective molecular modeling, and is not suitable for direct simulation calculation of ultra long time scale and ultra large systems.

Biovia material virtual simulation can carry out virtual design by introducing molecular simulation based on quantum mechanics in material development and design, so as to realize material selection and property prediction, process optimization, virtual experiment and high-throughput virtual screening. At the same time, the chemical reaction can be evaluated by characterizing the change of electronic structure based on Schrodinger equation.

Yang Lei pointed out that accelerating the innovation process of battery materials, reducing the time and cost of realizing the scheme, improving the output rate of researchers and enhancing the competitiveness of products play a vital role in the industrialization and cost reduction of new materials.

At the same time, biovia battery material calculation simulation solution realizes the system integration of battery cells, battery modules, battery packs, electric drive systems to the vehicle level from the electrical, thermal and life levels of battery cells, and refines the vehicle level performance indicators to the performance indicators of parts.

In the modeling and Simulation of materials, theoretical models are used to continuously guide and strengthen experimental measurement; Pre select candidate materials according to the requirements of cell / system level; Provide reference for cell / system level material requirements.

In the link of providing digital continuity, the innovation boundary is extended from system to atom, and the invention of new materials is triggered in this process; Link the atomic properties of the material to the physical properties of the cell and the performance of the system.

In cell / system modeling and simulation, accurate electrochemical models can be used to predict aging / safety / performance, and virtual parameters can be used to predict aging behavior before experiments.

Together with Dassault system, Puhua technology helps enterprises quickly build the vehicle architecture in the early stage, and quickly carry out scheme balancing and vehicle virtual integration and verification.

Article source:High tech lithium power grid

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