Material Multiscale Simulation and Platform Application Technology
■ Introduction
▶ 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 transformation 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
■ Introduction
▶ Currently, the domestic industry lacks hybrid and dispersion R&D capabilities, so the most of the high-quality, high-valueadded
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.
■ Contact Us
Material and Chemical Research Laboratories
Dept. of Multiscale Material Simulation(M200)
Tien-Jung Huang
Tel:+886-3-5915330
Email:TJHuang@itri.org.tw