Real time and real space analysis for atomic dynamics in liquids

Kawakita, Yukinobu  ; Kikuchi, Tatsuya*  ; Inamura, Yasuhiro  ; Tahara, Shuta*; Maruyama, Kenji*; Hanashima, Takayasu*; Nakamura, Mitsutaka   ; Kiyanagi, Ryoji  ; Yamauchi, Yasuhiro*; Chiba, Kaori*; Kawamura, Seiko   ; Sakaguchi, Yoshifumi*; Shimakura, Hironori*; Takahashi, Ryuta*; Arima, Hiroshi*; Wakai, Daisuke*; Nakajima, Kenji  

We have developed analysis method to reduce the so-call van Hove function, a time-space correlation function, through the regularization method for coherent quasielastic neutron scattering (QENS) of liquids. In principle, the van Hove function in r-t space can be obtained by double Fourier transform from dynamic structure factor in Q-E space. Instead of a direct function estimation of the van Hove function through the regularization method which easily involves systematical deviation of the calculated dynamic structure factor from the experimental dynamic structure factor, we used a mediation function between them and estimated it through the regularization method. We will discuss with the properties of the mediation function and the obtained van Hove function and the calculated dynamic structure factor with an example of liquid metals with complex static structure such as Bi and Sb whose QENS were measured by AMATERAS spectrometer in J-PARC.