Material Multiscale Simulation and Platform Application Technology
■ Technology Overview
• Traditionally, researchers have gone through trial and error in the development of new materials, which consumes a lot of time, money and manpower. As a result, they can’t keep up with the speed to applications, which has become a bottleneck for high-value ransformation to the industry
• The technology assists industries to quickly implement an integrated innovative research model, prompt them to apply material simulation and design platforms, and accelerate the development and application of high-value materials, circular materials and digital materials
■ Features
• New material property prediction technology: Using platform tools and inputting chemical structures, the physical properties of more than 90 kinds of polymer materials can be predicted, and the prediction
accuracy is ≥ 95%, and the screening speed is < 1 hour
• Material multi-scale simulation and design platform: perform multi-scale material simulation services, quantum/micro/mesoscopic material design, high-speed GPU computing system and AI learning
computing for material prediction
■ Applications
• Quick prediction of physical properties of new materials, modification design of dispersants/additives, simulation of polymer interfaces, simulation of composite materials and bonding, simulation of polymer
rheological viscoelasticity, and prediction of dispersion, thermal conductivity and mechanical properties of composite materials
• Assist the industry to realize the integration of software and hardware for material multi-scale simulation and design
Hybrid and Dispersion Technology Platform
■ Technology Overview
Currently, the domestic industry lacks hybrid and dispersion R&D capabilities, so the most of the highquality, high-value-added materials are imported from abroad. Therefore, development of a hybrid and dispersion interface and dispersion stability technology is necessary, including accessing the database service platform through the network to obtain the parameters of the dispersion system. The key issues are how to find mutually compatible materials, how to use dispersion stabilization design and how to develop the correct dispersant structure to solve material/process design problems and accelerate material innovation.
■ Features
• Quick search using dispersant/solvent/material screening, solubility parameter/interface compatibility matching
• Particle dispersion stabilized simulation and analysis technology
• Dispersion process optimization simulation design and process parameter database application technology
■ Applications
• Material simulation and dispersant database: access the database service platform through the Internet, obtain the parameters of the dispersion system, and reduce material development time
• Through the cloud network and talent training courses, the connection between the industry and the industry is strengthened. The website of the "Hybrid Dispersion Technology Network" is https://dispersion.itri.org.tw
Product Feature Analysis and Parameter Optimization Simulation Technology
■ Technology Overview
• Product features are affected by three factors including size, material and process parameters, and product performance is mostly the result of combining multiple physical and chemical effects
• This simulation technology is derived from basic science to establish a predictive model, combined with experimental verification, to analyze and design product characteristics
• Furthermore, according to the product requirements, the size, material and process parameters are backward pushed back to optimize the design
■ Features
• Customized software: Design input and output parameters according to customer needs
• Installation-free software: analysis and design can be performed on a general computer without professional computing equipment
• No professional background needed: easily carry out analysis and design without professional expertise
• Security protection: password protection to prevent confidential information
• Minimum memory space: the custom software would only take about a few hundred MB
■ Services
• Mechanics/flow field/electricity/magnetism/acoustics analysis
• Optimization design of topology and lightweight structure
• Reverse engineering optimization of dimensions, material and process analysis
• Application of DEM particle stacking algorithm
Material Digital Design and Application Service Platform
■ Technology Overview
• The Multiscale Simulation Laboratory was founded in 2001 and has 20 years of R&D energy related to material simulation. By integrating numerical calculations, interdisciplinary models and AI technologies, we assist the industry in rapid transformation and develop low-carbon circular economy materials, nextgeneration ICT / 5, 6G materials and high-value petrochemical innovative materials
• We use multi-scale simulation and design technology, machine learning and carbon reduction diagnosis technology, interdisciplinary material design technology, and combined with simulation and AI platform to help domestic industry personnel to shorten the development cycle of new materials and accelerate material R&D design, modification, screening and differentiated product development
■ Features
• Quick prediction and design of physical properties of various polymers, additives, dispersants and other formulations
• Prediction and dispersion simulation of physical properties, compatibility, phase structure, shape design, rheological viscoelasticity and mechanical properties, etc. of various polymers, copolymerized polymers, mixed polymers, polymer composites, polymer solutions and colloids, etc.
• Multi-scale integration of material simulation/experiment/test/process information for digital material design and formula optimization
■ Services
• Customized entrusted technical service projects
• Integrated solution for customized material design and development
• Assist the material industry to integrate and introduce AI technology
• Customized technology integration and application
Industrial Technology Research Institute (ITRI)
Material and Chemical Research Laboratories (MCL)
Dept. of Multiscale Material Simulation (M200)