Building an application-specific grid computing environment using ITBL for nuclear material engineering

Tsujita, Yuichi*; Arima, Tatsumi*; Idemitsu, Kazuya*; Suzuki, Yoshio   ; Kimura, Hideo

Recently, Pu recycle is refocused for effective use of nuclear fuel (e.g., GNEP program in US). In such the advanced fuel cycle, inert matrix fuels (e.g., ZrO-PuO) are expected for effective burning Pu. However, Pu material is difficult to manage due to its radiotoxicity, thus cost of experimental facilities for it is very expensive. As computer simulation cuts cost for experimental researches, we have performed molecular dynamics (MD) simulations to research its material characteristics. In order to obtain more realistic results, many atoms and many time steps are required in order of ten to hundred thousands. As cost of such computation is high, parallelized program was executed on a grid computing environment provided by an ITBL system.