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Journal Articles

Estimation of force constants of Al from diffuse neutron scattering measurement

Makhsun*; Hashimoto, Takuya*; Sakuma, Takashi*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki; Danilkin, S. A.*

Journal of the Physical Society of Japan, 83(7), p.074602_1 - 074602_4, 2014/07

 Times Cited Count:2 Percentile:22.04(Physics, Multidisciplinary)

The correlations of atomic thermal displacements in Al were obtained from the analysis of diffuse neutron scattering intensity. The interatomic force constants were determined from the correlation effects using a newly introduced equation. The derived force constants and the crystal structure of Al were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The calculated phonon dispersion relations and specific heat of Al are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.

Journal Articles

Inter-atomic force constants of Ag$$_{2}$$O from diffuse neutron scattering measurement

Wada, Tamotsu*; Sakuma, Takashi*; Sakai, Ryutaro*; Uehara, Hiroyuki*; Xianglian*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki; Danilkin, S. A.*

Solid State Ionics, 225, p.18 - 21, 2012/10

 Times Cited Count:8 Percentile:37.58(Chemistry, Physical)

Diffuse neutron scattering measurement on Ag$$_{2}$$O crystals was performed at 8 K and 295 K. The observed diffuse scattering intensities were analyzed by including the correlation effects among thermal displacements of atoms in Ag$$_{2}$$O. Using the values of correlation effects among neighboring atoms and the values of Debye-Waller temperature parameter, force constants among first, second and third nearest neighboring atoms have been evaluated.

Journal Articles

Inter-atomic force constants from correlation effects among thermal displacement of atoms in PbTe

Xianglian*; Sakuma, Takashi*; Mohapatra, S. R.*; Uehara, Hiroyuki*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki

Molecular Simulation, 38(5), p.448 - 451, 2012/04

 Times Cited Count:2 Percentile:6.49(Chemistry, Physical)

Diffuse neutron scattering measurements have been performed on powder PbTe at 10 and 294 K. Oscillatory diffuse scattering intensity is clearly observed at 294 K. Oscillatory form of the diffuse neutron scattering intensity for PbTe was explained on inclusion of correlation effects among thermal displacements of atoms. From the values of correlation effects and Debye-Waller temperature parameter, force constants among the first nearest neighboring atoms was calculated, $$alpha$$ $$_{rm Pb-Te}$$ = 215 eV/nm$$^{2}$$, and the second ones were $$alpha$$ $$_{rm Pb-Pb}$$ =108 eV/nm$$^{2}$$ and $$alpha$$ $$_{rm Te-Te}$$ = 144 eV/nm$$^{2}$$ at 294 K.

Journal Articles

Conceptual design study of JSFR, 2; Reactor system

Eto, Masao*; Kamishima, Yoshio*; Okamura, Shigeki*; Watanabe, Osamu*; Oyama, Kazuhiro*; Negishi, Kazuo; Kotake, Shoji*; Sakamoto, Yoshihiko; Kamide, Hideki

Proceedings of International Conference on Fast Reactors and Related Fuel Cycles (FR 2009) (CD-ROM), 10 Pages, 2012/00

In the JSFR design, the diameter of the Reactor Vessel (RV) shall be minimized and the reactor internal structures shall be simplified for reduction in construction cost. The reduction in the RV diameter is achieved by adopting an advanced refueling system and the hot RV with high temperature wall. The flow velocity in the reactor upper plenum increases because the diameter of the RV is decreased. As the result, the coolant flow field in reactor upper plenum is severe. The optimization of the coolant flow field in the reactor upper plenum was carried out for prevention the cover gas entrainment and the vortex cavitations at the hot leg intake. In addition, structural integrities for seismic loadings and thermal loadings were evaluated because the design seismic loading was highly increased and the vessel wall is directly exposed to the thermal transients of the upper plenum. This paper describes the characteristics and the results of the design study of the reactor system.

Journal Articles

Correlation effects among thermal displacements of atoms in KBr

Sakuma, Takashi*; Xianglian*; Shimizu, Norifumi*; Mohapatra, S. R.*; Isozaki, Nobuhiro*; Uehara, Hiroyuki*; Takahashi, Haruyuki*; Basar, K.*; Igawa, Naoki; Kamishima, Osamu*

Solid State Ionics, 192(1), p.54 - 57, 2011/06

 Times Cited Count:11 Percentile:46.94(Chemistry, Physical)

Diffuse neutron scattering measurements have been performed on powder KBr. The oscillatory scheme of the diffuse scattering intensity is explained by the values of correlation effects among thermal displacements of 1st, 2nd and 3rd nearest neighboring atoms which are almost the same as those in other ionic crystals. Force constants among 1st, 2nd and 3rd nearest neighboring atoms are obtained from the correlation effects at 90 K are 0.83 eV/$AA $^{2}$$, 0.50 eV/$AA $^{2}$$ and 0.41 eV/$AA $^{2}$$, respectively.

Journal Articles

Estimation of inter-atomic force constants and phonon dispersion using correlation effects among thermal displacement of atoms in Ge

Sakuma, Takashi*; Mohapatra, S. R.*; Isozaki, Nobuhiro*; Uehara, Hiroyuki*; Xianglian*; Basar, K.*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki

Journal of Non-Crystalline Solids, 357(2), p.559 - 562, 2010/01

 Times Cited Count:2 Percentile:17.7(Materials Science, Ceramics)

The oscillatory diffuse scattering intensity of Ge was observed by neutron scattering measurement. The force constants among the first, second and third nearest neighboring atoms in Ge were determined from the values of correlation effects and Debye-Waller temperature parameters. The inter-atomic force constants among the first, second and third nearest neighboring atoms at 80 K in Ge are 363 eV/nm$$^{2}$$, 232 eV/nm$$^{2}$$ and 200 eV/nm$$^{2}$$, respectively.

Journal Articles

Correlation effects among thermal displacements of atoms from diffuse neutron scattering measurements

Sakuma, Takashi*; Mohapatra, S. R.*; Yokokawa, Jo*; Shimizu, Norifumi*; Isozaki, Nobuhiro*; Uehara, Hiroyuki*; Xianglian*; Basar, K.*; Takahashi, Haruyuki*; Kamishima, Osamu*; et al.

Proceedings of 12th Asian Conference on Solid State Ionics and 15th Chinese Conference on Solid State Ionics, p.439 - 445, 2010/00

Diffuse neutron scattering intensities from ionic crystals, covalent crystals and metal crystals are analyzed by including the correlation effects among thermal displacements of atoms into the function describing background intensity. The obtained values of correlation effects among first nearest neighboring atoms are 0.7 near room temperature. The values of the correlation effects do not depend much on the type of the crystal binding near room temperature. The values of correlation effects decrease rapidly with the increase of inter-atomic distances. The correlation effects also decrease with the decrease of temperature.

Journal Articles

Correlation effects among thermal displacements of atoms in VSe by diffuse neutron scattering measurement

Sakuma, Takashi*; Xianglian*; Siagian, S.*; Basar, K.*; Takahashi, Haruyuki*; Igawa, Naoki; Kamishima, Osamu*

Journal of Thermal Analysis and Calorimetry, 99(1), p.173 - 176, 2009/10

 Times Cited Count:3 Percentile:13.75(Thermodynamics)

Neutron diffraction measurements have been performed on powder VSe at 294 K. The diffuse scattering theory including correlation effects among thermal displacements of atoms is applied to background function in the rietveld analysis. The oscillatory scheme of the diffuse scattering intensity from hexagonal VSe is explained by the correlation effects among far-neighboring Se-Se atoms. The values of the correlation effects depend on the inter-atomic distance and not on the crystal structure.

Journal Articles

Anharmonic effective pair potentials of $$gamma-$$ and $$alpha-$$CuBr at high pressure

Yoshiasa, Akira*; Okube, Maki*; Otaka, Osamu*; Kamishima, Osamu*; Katayama, Yoshinori

Japanese Journal of Applied Physics, Part 1, 39(12A), p.6747 - 6751, 2000/12

 Times Cited Count:10 Percentile:44.92(Physics, Applied)

The anharmonic effective pair potentials $$V(u)=au^{2}/2+bu^{3}/3!+cu^{4}/4!$$ for Br-Cu bond in $$gamma-$$ and $$alpha-$$CuBr under pressure have been investigated by an extended X-ray absorption fine structure (EXAFS) technique. The EXAFS spectra near the Br K-edge were measured under high temperature and high pressure using a large-volume uniaxial press and synchrotron radiation from SPring-8. The anharmonic effective pair potential for each phase is influenced by pressure and become steeper with increasing pressure. The potential parameter $$a$$ for $$gamma$$-phase at 0.1MPa increases by about 20% at the pressure of 4.8GPa. The stastical distribution of Cu in $$alpha$$-CuBr and superionic conduction mechanism have been discussed based on the effective pair potential and distribution of Br-Cu distances.

Journal Articles

The XAFS beamline BL01B1 at SPring-8

Uruga, Tomoya*; Tanida, Hajime*; Yoneda, Yasuhiro; Takeshita, Kunikazu*; Emura, Shuichi*; Takahashi, Masao*; Harada, Makoto*; Nishihata, Yasuo; Kubozono, Yoshihiro*; Tanaka, Tsunehiro*; et al.

Journal of Synchrotron Radiation, 6(Part3), p.143 - 145, 1999/05

An x-ray absorption fine-structure (XAFS) spectroscopy beamline, BL01B1, was installed at a bending magnet source at SPring-8 and has been open to users since October 1997. It was designed for XAFS experiments covering a wide energy range. Position tables and automatical control programs were established to adjust the x-ray optics and achieve the designed performance of the beamline under each experimental condition. This has enabled conventional XAFS measurements to be made with a good data quality from 4.5 to 110 keV.

Oral presentation

Diffuse neutron scattering measurements of Ag$$_{2}$$O and Cu$$_{2}$$O

Sakai, Ryutaro*; Wada, Tamotsu*; Sakuma, Takashi*; Takahashi, Haruyuki*; Kamishima, Osamu*; Igawa, Naoki; Danilkin, S. A.*

no journal, , 

The correlation effects among thermal displacements of atoms in Ag$$_{2}$$O and Cu$$_{2}$$O are studied at 8 and 295 K by diffuse neutron scattering method. The force constants of these substances are obtained from the correlation effects and Debye-Waller temperature parameters. The mean square of the thermal displacements of atoms can be obtained in terms of correlation effects and Debye-Waller temperature parameters. The inter-atomic force constants among first and second nearest neighboring atoms have been estimated at room temperature. The calculated force constants in the present works were almost equal to that of ionic crystals.

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