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Journal Articles

A Noniterative mean-field QM/MM-type approach with a linear response approximation toward an efficient free-energy evaluation

Kido, Kentaro

Journal of Computational Chemistry, 40(24), p.2072 - 2085, 2019/09

 Times Cited Count:1 Percentile:83.82(Chemistry, Multidisciplinary)

Journal Articles

An Experimental study on heat transfer from a mixture of solid-fuel and liquid-steel during core disruptive accidents in Sodium-Cooled Fast Reactors

Kamiyama, Kenji; Konishi, Kensuke; Sato, Ikken; Toyooka, Junichi; Matsuba, Kenichi; Suzuki, Toru; Tobita, Yoshiharu; Pakhnits, A. V.*; Vityuk, V. A.*; Vurim, A. D.*; et al.

Proceedings of 10th International Topical Meeting on Nuclear Thermal Hydraulics, Operation and Safety (NUTHOS-10) (USB Flash Drive), 8 Pages, 2014/12

Journal Articles

Large-scale direct simulation of two-phase flow structure around a spacer in a tight-lattice nuclear fuel bundle

Takase, Kazuyuki; Yoshida, Hiroyuki; Ose, Yasuo*; Akimoto, Hajime

Computational Fluid Dynamics 2004, p.649 - 654, 2006/00

no abstracts in English

Journal Articles

Structural studies on liquids and glasses under high pressure and high temperature

Katayama, Yoshinori; Inamura, Yasuhiro*

Nuclear Instruments and Methods in Physics Research B, 238(1-4), p.154 - 159, 2005/08

 Times Cited Count:7 Percentile:48.87(Instruments & Instrumentation)

It is well know that many substances have different structures in the crystalline state and they exhibit first-order structural phase transitions by a change in pressure. On the other hand, pressure-induced structural changes in the liquid and glassy states were supposed to be monotonous. The recent development of synchrotron radiation sources enables us to perform structural studies on liquids and glasses under high pressure and high temperature conditions. These studies revealed that the changes in the liquid and glassy states are not necessarily monotonous. We will present recent results on liquid phosphorus and silica glass.

Journal Articles

Macroscopic Separation of Dense Fluid Phase and Liquid Phase of Phosphorus

Katayama, Yoshinori; Inamura, Yasuhiro*; Mizutani, Takeshi*; Yamakata, Masaaki*; Utsumi, Wataru; Shimomura, Osamu*

Science, 306(5697), p.848 - 851, 2004/10

 Times Cited Count:116 Percentile:4(Multidisciplinary Sciences)

Structural transformation between two liquid structures of phosphorus that occurred at about 1 GPa and 1000$$^{circ}$$C was investigated by in-situ X-ray radiography. When the low-pressure liquid was compressed, dark and round objects appeared in the radiograph. X-ray diffraction measurements confirmed that these objects were the high-pressure liquid. The drops grew and eventually filled the sample space. Decompressing caused the reverse process. The macroscopic phase separation supported the view that it was a first-order liquid-liquid phase transition. X-ray absorption measurements revealed that the change in density at the transition is about 40 % of the density of the high-pressure liquid.

Journal Articles

X-ray structural studies on elemental liquids under high pressures

Katayama, Yoshinori; Tsuji, Kazuhiko*

Journal of Physics; Condensed Matter, 15(36), p.6085 - 6103, 2003/09

 Times Cited Count:77 Percentile:6.98(Physics, Condensed Matter)

X-ray structural studies on several elemental liquids under high pressure are reviewed. Combination of synchrotron radiation sources and large volume presses enables us to carry out in-situ structural measurements on liquids at high pressures up to several GPa. The measurements have revealed that compressions of liquid alkali metals are almost uniform, whereas those of liquids that have covalent components in bonding are mostly anisotropic. In some elements, different types of volume dependence of the nearest neighbour distances are observed in different pressure ranges. This behaviour suggests that the liquid phase can be divided in regions. Although most of the observed structural changes are continuous, a discovery of an abrupt structural change in liquid phosphorus, which is completed over a pressure range of less than 0.05 GPa around 1GPa and 1050 $$^{circ}$$C, supports existence of a first-order liquid-liquid phase transition.

Journal Articles

Structure factor and electronic structure of compressed liquid rubidium

*; G.Kahl*

Physical Review B, 58(9), p.5314 - 5321, 1998/09

 Times Cited Count:19 Percentile:30.82(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Structure of liquid rubidium and liquid sodium under pressure

Morimoto, Yoshiki*; Kato, Sayuri*; Toda, Naohiro*; Katayama, Yoshinori; Tsuji, Kazuhiko*; Yaoita, Kenichi*; Shimomura, Osamu

Review of High Pressure Science and Technology, 7, p.245 - 247, 1998/03

X-ray diffraction for liquid Rb and liquid Na has been measured under pressure up to 6 GPa using synchrotron radiation. Volume dependences of static structure factor $$S(Q)$$ and pair distribution function $$g(r)$$ were obtained to the volume range $$nu(=V/V_{0})$$ of 0.52 for liquid Rb and $$nu$$ of 0.73 for liquid Na to investigate the effect of the electronic change on the structure of liquid metals. With increasing pressure, the peaks of $$S(Q)$$ of both liquid Rb and liquid Na shift towards higher $$Q$$, and the heights of the first peak increase. Theses volume dependences of the structural data are compared with those for other metals under pressure and expanded fluids.

Journal Articles

Rubidium from a liquid metal to a plasma

*; G.Kahl*

Strongly Coupled Coulomb Systems, p.129 - 134, 1998/00

no abstracts in English

Journal Articles

First-principles molecular dynamics of liquid alkali metals based on the quantal hypernetted chain theory

; Chihara, Junzo

Physical Review E, 53(6), p.6253 - 6263, 1996/06

 Times Cited Count:16 Percentile:39.75(Physics, Fluids & Plasmas)

no abstracts in English

Journal Articles

Liquid metallic lithium as a nucleus-electron mixture

Chihara, Junzo

Journal of Non-Crystalline Solids, 117-118, p.128 - 131, 1990/00

 Times Cited Count:0 Percentile:100(Materials Science, Ceramics)

no abstracts in English

Journal Articles

Polarisation effects on core levels of a Ne impurity immersed in liquid metallic hydrogen

J.Phys.,C, 20, p.753 - 763, 1987/00

no abstracts in English

Journal Articles

X-ray diffraction of the molten salt 50mol%AlCl$$_{3}$$-50mol%LiCl

*; *; *;

J.Chem.Soc.,Faraday Trans.,2, 81, p.319 - 326, 1985/00

no abstracts in English

Journal Articles

Structural analysis of molten NaNO$$_{2}$$

; *; *; *; Furukawa, Kazuo; *

1st Int. Symp. on Molten Salt Chemistry, J-204, p.345 - 348, 1983/00

no abstracts in English

Journal Articles

Structural analyses of molten R$$_{2}$$SO$$_{4}$$,R=Li,Na,K,Cs and Ag

*; *; *; ; Furukawa, Kazuo

First Inter.Symp.on Molten Salt Chem.Technol.,J-207, p.354 - 357, 1983/00

no abstracts in English

Journal Articles

Molten-salt technology supported by theory; Ionic-liquid structural model, earth mantle, fusion reactors, accel, molten-salt breeders,etc

Furukawa, Kazuo

Kinzoku Butsuri Semina, 6(1), p.11 - 23, 1983/00

no abstracts in English

Journal Articles

X-ray diffraction analysis of glassy and molten PbO-SiO$$_{2}$$ system

; *; *; *; Furukawa, Kazuo; *

Nippon Kinzoku Gakkai-Shi, 47(2), p.132 - 141, 1983/00

no abstracts in English

Journal Articles

Structural analysis of molten Na$$_{2}$$BeF$$_{4}$$ and NaBeF$$_{3}$$ by X-ray diffraction

*; ; *; Furukawa, Kazuo

J.Chem.Soc.,Faraday Trans.,I, 78, p.2051 - 2058, 1982/00

no abstracts in English

Journal Articles

Structural analysis of molten LiBr

; Furukawa, Kazuo; *; *

J.Chem.Soc.,Faraday Trans.,I, 78(5), p.1555 - 1560, 1982/00

no abstracts in English

Journal Articles

X-ray diffraction analysis of molten NaCl near its melting point

; Furukawa, Kazuo

J.Chem.Soc.,Faraday Trans.,I, 77, p.1981 - 1985, 1981/00

no abstracts in English

29 (Records 1-20 displayed on this page)