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Report No.

The Disordered 3-dimensional structure visualized by a combination of high-energy synchrotron X-rays and computer simulations

Kohara, Shinji*; Oishi, Yasuo*; Takata, Masaki*; Yoneda, Yasuhiro   ; Suzuya, Kentaro

The use of high-energy (E $$>$$ 50 keV) X-rays from SPring-8 allows us to perform X-ray diffraction experiments on disordered materials with the following advantages: high resolution in real space due to the wide range of scattering vector, small correction terms (particularly the absorption correction), and fast diffraction measurement with small amount of samples. Recently, high-energy X-ray diffraction data have been combined with neutron diffraction data from a pulsed neutron source to provide more detailed and reliable structural information than has hitherto been available. Furthermore, the use of reverse Monte Carlo modelling and PDF (pair distribution function) simulation based on high-energy X-ray diffraction data have succeeded in illustrating 3-dimensional structure of disordered materials and disorder in crystalline materials.



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