An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering: Acquisitions of the pair distribution function and the pair potential

Ken Ichi Amano; Ryosuke Sawazumi; Hiroshi Imamura; Tomonari Sumi; Kota Hashimoto; Kazuhiro Fukami; Haru Kitaoka; Naoya Nishi; Tetsuo Sakka

doi:10.1246/CL.200292

An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering: Acquisitions of the pair distribution function and the pair potential

Ken Ichi Amano, Ryosuke Sawazumi, Hiroshi Imamura, Tomonari Sumi, Kota Hashimoto, Kazuhiro Fukami, Haru Kitaoka, Naoya Nishi, Tetsuo Sakka

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

Small-angle X-ray and neutron scatterings can measure the structure factor of dispersed particles (macromolecules or colloidal particles), which can estimate the pair distribution function and the pair potential between the particles. However, the assumption of a model pair potential is usually necessary in the estimations. Especially when the system condition is complicated, one cannot prepare a plausible model pair potential. Hence, we propose a model-potential-free method. The new method does not require the assumptions of rigid particle surface and random phase approximation unlike the conventional model-potential-free method.

Original language	English
Pages (from-to)	1017-1021
Number of pages	5
Journal	Chemistry Letters
Volume	49
Issue number	9
DOIs	https://doi.org/10.1246/CL.200292
Publication status	Published - Sep 2020

Keywords

Nelder-Mead method
Power law
Statistical mechanics of simple liquids

ASJC Scopus subject areas

Chemistry(all)

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10.1246/CL.200292

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An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering : Acquisitions of the pair distribution function and the pair potential. / Amano, Ken Ichi; Sawazumi, Ryosuke; Imamura, Hiroshi; Sumi, Tomonari; Hashimoto, Kota; Fukami, Kazuhiro; Kitaoka, Haru; Nishi, Naoya; Sakka, Tetsuo.

In: Chemistry Letters, Vol. 49, No. 9, 09.2020, p. 1017-1021.

Research output: Contribution to journal › Article › peer-review

Amano, KI, Sawazumi, R, Imamura, H, Sumi, T, Hashimoto, K, Fukami, K, Kitaoka, H, Nishi, N & Sakka, T 2020, 'An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering: Acquisitions of the pair distribution function and the pair potential', Chemistry Letters, vol. 49, no. 9, pp. 1017-1021. https://doi.org/10.1246/CL.200292

Amano, Ken Ichi ; Sawazumi, Ryosuke ; Imamura, Hiroshi ; Sumi, Tomonari ; Hashimoto, Kota ; Fukami, Kazuhiro ; Kitaoka, Haru ; Nishi, Naoya ; Sakka, Tetsuo. / An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering : Acquisitions of the pair distribution function and the pair potential. In: Chemistry Letters. 2020 ; Vol. 49, No. 9. pp. 1017-1021.

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title = "An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering: Acquisitions of the pair distribution function and the pair potential",

abstract = "Small-angle X-ray and neutron scatterings can measure the structure factor of dispersed particles (macromolecules or colloidal particles), which can estimate the pair distribution function and the pair potential between the particles. However, the assumption of a model pair potential is usually necessary in the estimations. Especially when the system condition is complicated, one cannot prepare a plausible model pair potential. Hence, we propose a model-potential-free method. The new method does not require the assumptions of rigid particle surface and random phase approximation unlike the conventional model-potential-free method.",

keywords = "Nelder-Mead method, Power law, Statistical mechanics of simple liquids",

author = "Amano, {Ken Ichi} and Ryosuke Sawazumi and Hiroshi Imamura and Tomonari Sumi and Kota Hashimoto and Kazuhiro Fukami and Haru Kitaoka and Naoya Nishi and Tetsuo Sakka",

note = "Funding Information: We appreciate advice and comments from H. Matsuoka and M. Maebayashi. This work has been mainly supported by Grant-in-Aid for Young Scientists (B) from the Japan Society for the Promotion of Science (15K21100), and partly supported by Grant-in-Aid for Scientific Research (B) from the Japan Society for the Promotion of Science (15H03877). Publisher Copyright: {\textcopyright} 2020 The Chemical Society of Japan.",

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doi = "10.1246/CL.200292",

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T2 - Acquisitions of the pair distribution function and the pair potential

AU - Amano, Ken Ichi

AU - Sawazumi, Ryosuke

AU - Imamura, Hiroshi

AU - Sumi, Tomonari

AU - Hashimoto, Kota

AU - Fukami, Kazuhiro

AU - Kitaoka, Haru

AU - Nishi, Naoya

AU - Sakka, Tetsuo

N1 - Funding Information: We appreciate advice and comments from H. Matsuoka and M. Maebayashi. This work has been mainly supported by Grant-in-Aid for Young Scientists (B) from the Japan Society for the Promotion of Science (15K21100), and partly supported by Grant-in-Aid for Scientific Research (B) from the Japan Society for the Promotion of Science (15H03877). Publisher Copyright: © 2020 The Chemical Society of Japan.

PY - 2020/9

Y1 - 2020/9

N2 - Small-angle X-ray and neutron scatterings can measure the structure factor of dispersed particles (macromolecules or colloidal particles), which can estimate the pair distribution function and the pair potential between the particles. However, the assumption of a model pair potential is usually necessary in the estimations. Especially when the system condition is complicated, one cannot prepare a plausible model pair potential. Hence, we propose a model-potential-free method. The new method does not require the assumptions of rigid particle surface and random phase approximation unlike the conventional model-potential-free method.

AB - Small-angle X-ray and neutron scatterings can measure the structure factor of dispersed particles (macromolecules or colloidal particles), which can estimate the pair distribution function and the pair potential between the particles. However, the assumption of a model pair potential is usually necessary in the estimations. Especially when the system condition is complicated, one cannot prepare a plausible model pair potential. Hence, we propose a model-potential-free method. The new method does not require the assumptions of rigid particle surface and random phase approximation unlike the conventional model-potential-free method.

KW - Nelder-Mead method

KW - Power law

KW - Statistical mechanics of simple liquids

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An improved model-potential-free analysis of the structure factor obtained from a small-angle scattering: Acquisitions of the pair distribution function and the pair potential

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