[Example] Metal ion aggregation in the electrolyte of MaterialsStudio
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 electrolytes - 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 ideal for "Materials Informatics" ■ Simulation software that streamlines material development It can be utilized 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 Corporation Sales Department MAIL: sales@wavefront.co.jp
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 Corporation Sales Department MAIL: sales@wavefront.co.jp URL: http://www.wavefront.co.jp/
Price range
Delivery Time
Model number/Brand name
『Materials Studio』
Applications/Examples of results
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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