[Case] Electrode Expansion in Charging and Discharging of MaterialsStudio
『Materials Studio』
"Materials Studio" can perform battery characteristic calculations. [Case Introduction] We will present examples of electrode expansion during charging/discharging.
◇Introduction of Electrode Expansion Cases in Charging/Discharging - Here, we are calculating and plotting the volume of the electrode to observe changes in the active material. - It is believed that the anode experiences an increase in volume due to the weakening of the intercalation bonds in the graphite layers caused by Li intercalation. - In the cathode, the volume increases with the decrease of Li ions. 【Product Features】 ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries. ■ Helps in the development of new materials more efficiently and easily. ■ Compatible with various types of materials. ■ All tasks, including crystal structure creation, calculation condition setting, and calculation result display, can be performed on a single GUI screen. *For more details, please feel free to contact us. Wavefront Corporation Sales Department MAIL: sales@wavefront.co.jp
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basic information
【Tools】 ■ Quantum Mechanics Simulation Tool ■ Classical Simulation Tool ■ Mesoscale Simulation Tool ■ Statistical Tool ■ Analysis/Crystallization Tool 【Examples】 ・Crystal Growth ・Behavior of Atoms on Crystal Surfaces ・Crystal Analysis ・Calculation of Physical Properties ・Sputtering Simulation ・Improvement of Lubricant Performance ・Catalysts ・Tribochemical (Lubrication) Reactions etc. *For more details, please feel free to contact us. Wavefront Inc. Sales Department MAIL: sales@wavefront.co.jp URL: https://www.wavefront.co.jp/
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For more details, please refer to the catalog or feel free to contact us. Contact: sales@wavefront.co.jp 〒220-6112 12th Floor, Queens Tower B, 2-3-3 Minatomirai, Nishi-ku, Yokohama, Kanagawa TEL: 045-682-7070 URL: https://www.wavefront.co.jp/
Detailed information
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Materials Studio provides a graphical user environment called Materials Studio Visualizer, which can be used to create, manipulate, and display models of molecules, crystals, surfaces, polymers, and mesoscale structures.
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Multiscale Simulation of Materials 'Materials Studio' is a comprehensive modeling/simulation platform equipped with: - Quantum mechanics (Density Functional Theory) - Classical mechanics (Molecular Dynamics Calculations) - Mesoscale (Dissipative Particle Dynamics Calculations, etc.) along with statistical, analytical/crystallization tools.
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- Here, we are calculating and plotting the volume of the electrode and observing the changes in the active material. - In the cathode, as the Li ions decrease, the volume increases.
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Our company develops and sells a "Maintenance Management System" for managing and operating various plants, factories, and other facilities and assets. Currently, this system is undergoing significant evolution into one that incorporates IoT technologies, such as sensor information and input from tablet devices, as well as AI technologies like machine learning, featuring functions for failure prediction and automatic scheduling. Additionally, as part of the recent trend towards digital transformation (DX), there is a growing movement to digitize and automate manufacturing processes and research and development sites in factories to enhance operational efficiency. In line with this trend, our company provides a solution aimed at improving efficiency in research and development environments, known as the Laboratory Information Management System (LIMS), which includes features such as workflow management, data tracking, data management, data analysis, and integration of electronic lab notebooks.