[Example] Metal ion aggregation in the electrolyte of MaterialsStudio
『Materials Studio』
Introduction of aggregation cases of metal ions in electrolyte solutions using "Materials Studio".
"Materials Studio" can perform battery characteristic calculations [Case Study] ◇ Introduction of aggregation cases of metal ions in electrolyte - RDF calculations were conducted to investigate the aggregation of LiPF6/PC-based electrolytes. - From the RDF, the size of the solvation shell can be examined. - Additionally, using this model, ion diffusion coefficients and charge transport characteristics can also be calculated. [Product Features] ■ Also optimal for "Materials Informatics" ■ Simulation software that streamlines material development It can be used by those engaged in research, development, design, and manufacturing across various industries. ■ Helps in the development of new materials more efficiently and easily. ■ Supports various types of materials. ■ All tasks, including crystal structure creation, calculation condition settings, and calculation result display, can be performed on a single GUI screen. *For more details, please feel free to contact us. Wavefront Co., Ltd. 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 Co., Ltd. Sales Department MAIL: sales@wavefront.co.jp URL: http://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, and crystallization tools.
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To investigate the aggregation of LiPF6/PC-based electrolytes, RDF calculations were performed.
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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.