New Research


2013/03/01

Atomistic scale slow dynamics simulation

Understanding of slow dynamics phenomena in solid materials

Prof: Shigenobu Ogata, Associate Prof: Hajime Kimizuka, Assistant Prof: Masato Wakeda

   Solid materials, such as crystalline metals and glasses, are widely used for industrial products around us. An understanding of structures and properties of solid materials from an atomistic viewpoint helps to improve material properties and also to develop new materials. Using atomistic simulation schemes, our laboratory have investigated atomic scale phenomena in solid materials.

 

   Atomistic simulations treat individual atomic motion. Therefore, it is difficult to investigate large space-scale phenomena including a huge number of atoms, as well as long time-scale phenomena. To overcome the time-scale limitation, our laboratory developed a new method, which can treat long time-scale phenomena in solid materials. For example, this method enables us to investigate the diffusion coefficient of carbon atoms in crystalline iron at low temperature, which is difficult for conventional atomistic simulation schemes (see figure).

 

   The limitation of time-scale in conventional atomistic simulations has prevented us from unveiling many phenomena in solid materials. An understanding of these phenomena from an atomistic viewpoint is important in academic field, and it also can contribute to the industrial development.


Ogata Laboratory
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