Research

• Development of nano-scale wiredrawing: Molecular Dynamics Analysis of defect behavior in iron and steel wire
• Atomistic Study on the Performance of Electrolytes in Lithium Ion Batteries(LIB): Evaluation of Li+ diffusion, viscosity and ionic conductivity
• Plastic Deformability and Strength Evaluation of Silicon Based Hard Brittle Material (SiC)
• Mechanical Transmission in Hierarchical Structure of Biological Fibrillar Materials (Collagen / Cellulose Nano-sized Fibers): Twisting Force and Its Energy Transmission from Micro to Macro
• Multi-scale Modeling and Analysis of Solid Materials: Collaboration between Molecular Dynamics and Macroscopic Particle Method (Peridynamics Theory)
• Nano-scale Tribology and Plastic Deformation: The Effect of Nano-sized texturing on Friction
• Computer Simulation Methodology for Dynamic behavior of Solid Materials
• Universality of Structures based on Mechanical Function: Development from Molecular Structures to the Concept of Tensegrity

Mechanical Transmission in Hierarchical Structure of Biological Fibrillar Materials (Collagen / Cellulose Nano-sized Fibers): Twisting Force and Its Energy Transmission from Micro to Macro

Cellulose is attracting attention as a new material as it is expected to shift from petroleum-based manufacturing in recent years to bio-based manufacturing. Cellulose is an aggregation of biological macromolecule (bio-polymers) produced by photosynthesis from water and carbon dioxide in plants. It is constructed on a basic unit called cellulose microfibril (CMF), as observed in cell wall of plants. CMF is constituted by a plurality of cellulose monomers each of which are polymerized into a straight molecular chain. A plurality of molecular chains are gathered and crystalized. Nanometer-sized cellulose such as CMF is collectively called cellulose nanofiber (CNF). Since CMF is fibrous, it is expected to be applied to fiber reinforced plastics. Reinforced bicomponent fibers are often subjected to external forces and are expected to bear mechanical loading, not only tension, but also bending, twisting and their.

By using molecular dynamics method, in this laboratory we simulate behavior of atoms and molecules in CMF and conduct strength evaluation against each modes of loading.