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Home  >  Journal list  >  MATERIALS TRANSACTIONS  >  Vol.52  No.3 (2011)  >  pp.391-396

MATERIALS TRANSACTIONS
<<Previous article Vol.52  No.3 (2011)   pp.391 - 396 Next article>>

On-the-Fly Kinetic Monte Carlo Simulation of Atomic Diffusion in L10 Structure

K. Sato1), S. Takizawa1) and T. Mohri1)
1) Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University

The atomic diffusion in L10 ordered phase is investigated using on-the-fly kinetic Monte Carlo simulations. We construct a simple model system of L10 ordered phase. Although a simple model system is employed, the simulation results reveal quite complex aspects of the atomic diffusion. It is found that the activation energies of both constituent atoms change significantly depending on the composition and that the correlation factor makes the activation energy larger for both atoms. It is also demonstrated that the diffusion anisotropy in the L10 phase which is observed in the experiment is reproduced. We discuss the different diffusion behavior of the constituent atoms, and clarify the mechanism of the diffusion anisotropy in L10 phase.


Keyword:
atomic diffusion, L10 phase, diffusion anisotropy, correlation factor, on-the-fly kinetic Monte Carlo simulation

Received: October 29, 2010
Accepted: December 15, 2010 , Published online: February 25, 2011
Copyright (c) 2011 The Japan Institute of Metals

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