Computational Materials Science

Research

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Computational Materials Science

Overview

photo

MD simulation of void growth
for poly-crystal pure iron during tensile test

In our laboratory, novel materials were developed based on the computational science such as FEM (Fenite Element Method), Ab initio and MD(Molecular Dynamics) calculation for safe and reliable society.
1) Microstructural analysis of ductile fracture behaviour based on the non-linear fracture mechanics and its application to hign strength steel.
2) New silicon clathrate compounds as a high efficiency thermoelectric material without temperature gradient by controlling band gap. (accepted for energy-environment new technology leading program of NEDO projct ).
3) Human body- and earth-friendly materials and devices: Hydrogen absorption materials, hydrogen detection device using ultrasound, and a new process for solar cells.

Staff

Professor Osamu Furukimi
Associate Professor Yoshimine Kato
Associate Professor Shinji Munetoh
Assistant Professor Masatoshi Aramaki

The Main Research Topics

  • Effect of microstructure on local deformation energy of steels
  • Thermoelectric properties of silicon clathrate
  • Study on hydrogen absorption materials, hydrogen detection device using ultrasound, and a new process for solar cells.
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