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[Example] Reduction of electrolyte and formation of SEI film in MaterialsStudio

"Materials Studio" can perform battery property calculations [Case Study Introduction].

◇Introduction of cases on the reduction of electrolyte and the formation of SEI films - The SEI film refers to the film formed by the decomposition products of the electrolyte on the electrode surface. - It serves to prevent excessive decomposition of the electrode liquid and to regulate the ions absorbed by the electrode; however, an increase in the SEI film can lead to increased electrical resistance and a decline in battery performance. ◆Case Details - A Li / Li2CO3 / EC model was created. - The energy barrier of the SEI film, which plays a role in preventing excessive ion supply to the electrode, can be observed. - The charge transfer coefficient α calculated from the Butler-Volmer equation is approximately 0.22, which matches the experimental value. - This report enabled a bottom-up modeling approach for battery design. 【Product Features】 ■ Also optimal 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. *For more details, please feel free to contact us. Wavefront Inc. Sales Department MAIL: sales@wavefront.co.jp

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Would you like to improve business efficiency with "CAE×AI"?

We can assist you in improving business efficiency using machine learning and AI! We will introduce our software and analysis examples.

It is said that we have entered an era where the use of machine learning and AI is desired in research and development. Our company assists in improving operational efficiency through the use of machine learning and AI. Experienced engineers will propose various plans tailored to our customers' needs, such as "package software sales" and "contract analysis." Please feel free to contact us when you need assistance. 【Software We Handle】 ■ Predictive modeling tool "Neural Designer" ■ Plasma analysis "Particle PLUS/DL" ■ Data science tool "Pipeline Pilot" ■ Material development analysis software "Materials Studio" ■ Electronic lab notebook "BIOVIA Notebook" *For more details, please refer to the PDF materials or feel free to contact us.

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HHD Software

Providing top-level data editing and analysis software for serial, USB, and network communications.

"HHD Software" is a product that provides software for software and hardware developers. It offers top-level data editing and serial, USB, and network communication analysis software, as well as advanced virtual serial port tools. We have a lineup that includes the binary file editing tool "Hex Editor Neo" and the serial port monitoring tool "Serial Monitor." 【Partial Lineup】 ■ Binary file editing tool: Hex Editor Neo ■ Serial port monitoring tool: Serial Monitor ■ USB data analysis tool: USB Monitor ■ Network monitoring tool: Network Monitor ■ Device monitoring tool: Device Monitoring Studio *For more details, please refer to the related links or feel free to contact us.

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Multivariate Statistical Analysis Software VEKTOR

Vector is a multivariate statistical analysis software that supports various types of data! It enhances usability and enables data visualization.

"VEKTOR DIREKTOR" is a user-friendly multivariate statistical analysis software that supports various types of data and enables data visualization. From data import to prediction and classification, this product allows for effective data analysis through an intuitive workflow. It can execute the analyzed calibration models in real-time, enabling real-time monitoring and the construction of feedback/forward control systems. With comprehensive preprocessing aimed at spectral analysis, it can be comfortably used not only for big data analysis using process parameters but also for chemometrics. By providing only the methods frequently used by customers, it allows for maximizing the use of data with the appropriate tools. 【Features】 ■ Easy data import ■ Effective visualization ■ Comprehensive data preprocessing functions ■ Diverse analysis tools *For more details, please refer to the PDF materials or feel free to contact us.

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Materials development analysis software 'Materials Studio'

Material development simulation software for analysis in quantum mechanics, classical mechanics, and mesoscale, adapted for materials informatics.

"Materials Studio" A suite of molecular modeling/simulation tools for next-generation materials development equipped with quantum mechanics (density functional theory), classical mechanics (molecular dynamics calculations), mesoscale (dissipative particle dynamics calculations, etc.), statistics, and analysis/crystallization tools. "Materials Informatics" 【Features】 ■ Simulation software that streamlines materials development Available for use by those engaged in research, development, design, and manufacturing across various industries and fields. ■ Supports various types of materials Predicts how the atomic and molecular structures relate to the physical properties and behaviors of materials in the fields of materials science and chemistry, effective for understanding physical phenomena. ■ Examples Research and development in crystal growth, thin film formation, fuel cells, lubricants, catalysts, polymers and mixtures, metals and alloys, batteries and fuel cells, etc. ■ Enhanced visualization with "Materials Studio Visualizer" ■ All tasks, including creating crystal structures, setting calculation conditions, and displaying calculation results, can be performed on a single GUI screen. *For more details, please refer to the catalog or feel free to contact us.

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Software for new material development "Materials Studio"

Materials development simulation software compatible with various types of materials: 'Materials Studio'

"Materials Studio," a simulation software useful for new material development. By utilizing and collaborating with this tool, it contributes to more efficient and easier new material development. A next-generation molecular modeling/simulation toolset equipped with quantum mechanics, classical mechanics, mesoscale, statistics, and analysis/crystallization tools. 【Features】 ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries. ■ Supports various types of materials. ■ Allows for the creation of crystal structures, setting of calculation conditions, and display of calculation results all on a single GUI screen. 【Examples】 Tribochemical (lubrication) reactions Analysis of CFRP (carbon-based materials) Crystal growth, thin film formation, fuel cells, lubricants Catalysts, polymers, mixtures, metals and alloys, batteries, and fuel cells. "Materials Informatics" "An initiative to explore new materials through information science." In simple terms, "I want to create amazing materials easily!!" has become a realistic endeavor. *For more details, please feel free to contact us.

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Semiconductor Material Development Analysis Software 'Materials Studio'

Effective materials development simulation software for "Materials Informatics" - 'Materials Studio'

By utilizing tools and collaborating, we can contribute to new material development more efficiently and easily. ■ Ideal for "Materials Informatics" This is a next-generation molecular modeling/simulation toolset equipped with quantum mechanics, classical mechanics, mesoscale, statistics, and analysis/crystallization tools for material development. 【Features】 ■ Simulation software that streamlines material development Available for use by those engaged in research, development, design, and manufacturing across various industries. ■ 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. 【Examples】 Tribochemical (lubrication) reactions Analysis of CFRP (carbon-based materials) Crystal growth, thin film formation, fuel cells, lubricants, catalysts, polymers, mixtures, metals and alloys, batteries, and fuel cells. *For more details, please feel free to contact us. Wavefront Inc. Sales Department MAIL: sales@wavefront.co.jp URL: http://www.wavefront.co.jp/

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