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徳久 淳師*; 新井 淳也*; 城地 保昌*; 大野 善之*; 亀山 豊久*; 山本 啓二*; 畑中 正行*; Gerofi, B.*; 島田 明男*; 黒川 原佳*; et al.
Journal of Synchrotron Radiation, 20(6), p.899 - 904, 2013/11
被引用回数:5 パーセンタイル:29.23(Instruments & Instrumentation)Single-particle coherent X-ray diffraction imaging using X-ray free electron laser has potential to reveal a three-dimensional structure of a biological supra-molecule at sub-nano meter resolution. In order to realize this method, it is necessary to analyze as many as one million noisy X-ray diffraction patterns, each for an unknown random target orientation. To cope with the severe quantum noise we need to classify patterns according to their similarities and average similar patterns to improve the S/N ratio. We developed a high-speed scalable scheme to carry out classification on the K computer, a 10PFLOPS supercomputer at RIKEN Advanced Institute for Computational Science. It is designed to work on the real time basis with the experimental diffraction pattern collection at the X-ray free electron laser facility SACLA so that the result of classification can be feed-backed to optimize experimental parameters during the experiment. We report the present status of our effort of developing the system and also a result of application to a set of simulated diffraction patterns. We succeeded in classification of about one million diffraction patterns by running 255 separate one-hour jobs on 385-node mode.
佐久間 隆*; Mohapatra, S. R.*; 横川 穣*; 清水 識文*; 磯崎 信宏*; 上原 寛之*; Xianglian*; Basar, K.*; 高橋 東之*; 神嶋 修*; et al.
Proceedings of 12th Asian Conference on Solid State Ionics and 15th Chinese Conference on Solid State Ionics, p.439 - 445, 2010/00
イオン結晶,共有結晶及び金属結晶からの中性子散漫散乱に関して、原子の熱変位の相関効果を解析した。室温での最近接に位置する元素間での相関効果の値は結合状態によらず約0.7であり、この値は原子間距離の増加あるいは温度の低下に従って減少することが明らかになった。