14.ITBLを用いた原子力材料シミュレーション環境構築の取り組み

概要

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Effective use of nuclear fuel is an important issue in nuclear material engineering. Pu recycle is refocused for this solution. Although there are active research works about it, they are carried out in limited research institutes because of radiotoxicity of Pu. However, researching characteristics of it in detail is very important for future nuclear energy engineering. We proposed computer simulation technique to analyze it by using a molecular dynamics (MD) simulation method. Although we have done many works, we required huge amount of computational resources to obtain realistic results and realize parameter survey runs. For this purpose, we have executed our simulation program on a Grid computing environment provided by ITBL. Since scientists do not expect to encompass the expertise for the ITBL system, we have tried to build an application-specific computing environment on a client terminal by using an ITBL's Java client API. It realizes seamless access to ITBL's computational resources and parameter survey runs. Moreover, it enables to carry out computation and native applications on a user's client terminal such as a visualization software for our simulation program successively in a single operation.
近畿大学の論文