Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Mon...

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Bibliographic Details
Main Authors: Atsushi M. Ito, Shuichi Kato, Arimichi Takayama, Hiroaki Nakamura
Format: Article
Language:English
Published: Elsevier 2017-08-01
Series:Nuclear Materials and Energy
Online Access:http://www.sciencedirect.com/science/article/pii/S2352179116302198