"Materials Studio" can perform battery property calculations [Case Study] Here we introduce a paper case study.
By profiling the diffusion energy of ions within the holy graphite, we are conducting discussions on the effects of the holy structure using Materials Studio. ◇ The effects associated with the improvement treatment of graphite anodes can be confirmed. 【Product Features】 ■ Also optimal for "Materials Informatics (MI)" ■ Simulation software that streamlines material development ■ Helps in the development of new materials more efficiently and easily. *For more details, please feel free to contact us.
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【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 - Performance Improvement of Lubricants - Catalysts - Tribochemical (Lubrication) Reactions and more 【Product Features】 ■ Supports various types of materials ■ Allows creation of crystal structures, setting of calculation conditions, and display of calculation results all on a single GUI screen *For more details, please feel free to contact us. Wavefront Co., Ltd. Sales Department MAIL: sales@wavefront.co.jp URL: http://www.wavefront.co.jp/
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For more details, please 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/
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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, and crystallization tools.
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By profiling the diffusion energy of ions within the holy graphite, we are conducting discussions on the effects of the holy structure using Materials Studio.
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We are using the CASTEP module in 'Materials Studio', which can handle a wide range of computational targets in quantum mechanical calculations. - Profiles were conducted on graphene IGA without holy structure processing and graphene HGA with holy structure processing. - By profiling the structures of IGA and HGA, or whether the ion movement is in the same plane or not, we are analyzing the effects of holy structure processing.
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- We showed the migration pathway of Li ions at the anode and the energy plot at the reaction coordinate. - A characteristic of the profile is that whether the migration of Li ions is in the same plane or not, applying Holy structure treatment reduces the energy barrier of the diffusion pathway. - Li ions diffuse across the holes of HGA much more easily than IGA, which is likely to facilitate the charge and discharge process of Li-ion batteries.
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You can confirm the effects associated with the improvement treatment of the graphite anode.
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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 a system 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 of digital transformation (DX), there is a growing movement to digitize and automate manufacturing processes and research and development sites in factories to improve operational efficiency. In line with this trend, our company provides a solution aimed at enhancing efficiency in research and development environments, which is the Laboratory Information Management System (LIMS). This software includes features such as workflow management, data tracking, data management, data analysis, and integration of electronic lab notebooks.