Dissolution analysis simulation for CFRP (carbon fiber) and various types of material development simulation software.
"Materials Studio" A suite of molecular modeling/simulation tools for next-generation material development equipped with quantum mechanics (density functional theory), classical mechanics (molecular dynamics calculations), mesoscale (dissipative particle dynamics calculations, etc.), 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 and fields. ■ Supports various types of materials Effective in predicting how the atomic and molecular structures relate to the physical properties and behaviors of materials in the fields of materials science and chemistry, aiding in the understanding of physical phenomena. ■ Examples Tribochemical (lubrication) reactions Research and development of crystal growth, thin film formation, fuel cells, lubricants, etc. Catalysts, polymers and mixtures, metals and alloys, batteries and fuel cells, etc. ■ Enhanced visualization with "Materials Studio Visualizer" ■ 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.
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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.
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For more details, please refer to the catalog or feel free to contact us.
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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◆Diffusion of Oil in Water◆ This shows the calculation results of the diffusion of oil in water using dissipative particle dynamics. The dark reddish-brown mass in the center of the video is the oil. The green dots surrounding the oil are water molecules. In this calculation, four water molecules and one oil molecule are treated as a single bead (particle) to speed up the computation time. ◇Used Modules Vizualizer, Mesocite
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◆Methane Diffusion in Polybutadiene Using Molecular Dynamics◆ Atomic distances and molecular angles can be easily determined using the Amorphous Cell to ensure that atomic distances are not too close, based on the force fields used in molecular dynamics. For the polymer polybutadiene, it is also possible to obtain complex atomic arrangements based on force field calculations while considering density. ◇Used Modules Visualizer, Amorphous Cell, Forcite Plus, COMPASS
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◆Behavior of Silane Coupling on CeO2(110) Surface◆ This is the result of calculations on the behavior of silane coupling on the CeO2(110) surface using molecular dynamics simulations. By employing the COMPASS force field, which has been rigorously validated, it is possible to accurately calculate the behavior of organic molecules. ◇Modules Used Vizualizer, Forcite Plus, COMPASS
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Simulation of tribochemical reactions It is a friction phenomenon involving chemical reactions of amorphous SiC using water as a lubricant. Simulation of tribochemical reactions.
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Image of "Dissolution Parameters of Mixed Polymers" analysis using [Forcite Plus].
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Analysis image of "physical property calculation of CFRP, which is one of the composite materials, using [Forcite Plus]."
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