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Journal Articles

Optimization and inference of bin widths for histogramming inelastic neutron scattering spectra

Tatsumi, Kazuyoshi; Inamura, Yasuhiro; Kofu, Maiko; Kiyanagi, Ryoji; Shimazaki, Hideaki*

Journal of Applied Crystallography, 55(3), p.533 - 543, 2022/06

 Times Cited Count:0 Percentile:0.01(Chemistry, Multidisciplinary)

A data-driven bin-width optimization for the histograms of measured data sets based on inhomogeneous Poisson processes was developed in a neurophysiology study [Shimazaki & Shinomoto (2007). Neural Comput. 19, 1503-1527], and a successive study [Muto et al. (2019). J. Phys. Soc. Jpn, 88, 044002] proposed its application to inelastic neutron scattering (INS) data. In the present study, the results of the method on experimental INS time-of-flight data collected under different measurement conditions from a copper single crystal are validated. The extrapolation of the statistics on a given data set to other data sets with different total counts precisely infers the optimal bin widths on the latter. The histograms with the optimized bin widths statistically verify two fine-spectral feature examples in the energy and momentum transfer cross sections: (i) the existence of the phonon band gaps; and (ii) the number of plural phonon branches located close to each other. This indicates that the applied method helps in the efficient and rigorous observation of spectral structures important in physics and materials science like novel forms of magnetic excitation and phonon states correlated to lattice thermal conductivities.

Journal Articles

First principles study of core-hole effect on fluorine K-edge X-ray absorption spectra of MgF$$_{2}$$ and ZnF$$_{2}$$

Yamamoto, Tomoyuki*; Mizoguchi, Teruyasu*; Tatsumi, Kazuyoshi*; Tanaka, Isao*; Adachi, Hirohiko*; Muramatsu, Yasuji; Gullikson, E. M.*; Perera, R. C. C.*

Materials Transactions, 45(7), p.1991 - 1993, 2004/07

 Times Cited Count:7 Percentile:44.68(Materials Science, Multidisciplinary)

First principles calculations have been carried out to investigate the core-hole effects on the theoretical fine structures of the X-ray absorption spectra of MgF$$_{2}$$ and ZnF$$_{2}$$ ath FK-edge. Experimental profiles of the near-edge X-ray absorption fine structures are well reproduced by the theoretical calculations when the core-hole effect is introduced. The dependence of supercell size on the theoretical fine structures is also examined.

Oral presentation

Application of computation science on advanced materials analyses

Tatsumi, Kazuyoshi

no journal, , 

no abstracts in English

Oral presentation

Improved efficiency of neutron scanning measurement by Gaussian process regression

Hasemi, Hiroyuki; Tatsumi, Kazuyoshi; Sato, Hirotaka*; Kamiyama, Takashi*

no journal, , 

no abstracts in English

Oral presentation

Development of efficient measurement system for neutron imaging using the gaussian process regression

Hasemi, Hiroyuki; Tatsumi, Kazuyoshi; Sato, Hirotaka*; Kamiyama, Takashi*

no journal, , 

no abstracts in English

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