Yoneda, Yasuhiro; Noguchi, Yuji*
Japanese Journal of Applied Physics, 59(SP), p.SPPA01_1 - SPPA01_7, 2020/11
We investigate A-site cation ordering in the ferroelectric perovskite BiNaTiO (BNT) by synchrotron X-ray total scattering. Although BNT has a problem of a low depolarization temperature, it is promising a lead-free piezoelectric material. Since the depolarization temperature is presumed to correspond to a relaxer like gradual order-disorder phase transition, local structure analysis is necessary to understand the structure of the diorder phase. Through this approach, the elusive connection between chemical heterogeneity and structural heterogeneity is revealed. Because of the large randomness, the Ti off-center shift is averaged out beyond the unit cell and the structure becomes very close to the average structure beyond the unit cell.
Okudaira, Takuya; Oku, Takayuki; Ino, Takashi*; Hayashida, Hirotoshi*; Kira, Hiroshi*; Sakai, Kenji; Hiroi, Kosuke; Takahashi, Shingo*; Aizawa, Kazuya; Endo, Hitoshi*; et al.
Nuclear Instruments and Methods in Physics Research A, 977, p.164301_1 - 164301_8, 2020/10
Harjo, S.; Kubota, Satoru*; Gong, W.*; Kawasaki, Takuro; Gao, S.*
Acta Materialia, 196, p.584 - 594, 2020/09
Yoshioka, Satoru*; Tsuruta, Konosuke*; Yamamoto, Tomokazu*; Yasuda, Kazuhiro*; Matsumura, Sho*; Sugiyama, Takeharu*; Oba, Yojiro; Ishikawa, Norito; Kobayashi, Eiichi*; Okudaira, Koji*
Journal of the American Ceramic Society, 103(8), p.4654 - 4663, 2020/08
X-ray absorption near edge structure (XANES) and small-angle X-ray scattering (SAXS) reveal the damaged structures in MgAlO spinel induced by swift heavy ions. SAXS indicates the formation of ion tracks with cylindrical shape with a diameter of 5 nm. XANES indicates the cationic disordering between tetrahedral and octahedral sites by the irradiation. Quantitative analysis of XANES also reveals that cations preferably occupy the octahedral sites at high fluence.
Kotai Butsuri, 55(7), p.285 - 296, 2020/07
Electron states are the main theme of "solid-state physics", which is essential for microscopic understanding of multipoles and superconductivity, etc. Rare earths (4) and actinides (5) provide variety of interesting states realized with competing interactions between the increasing number of electrons. Since crystal field splitting of many-body electron system is smaller than the bandwidth, (1) high resolution experiments are needed, (2) essentially no clear spectrum with well defined peaks is expected in itinerant Ce and U compounds, and (3) Np and Pu is strictly regulated. Therefore, systematic research on magnetic excitations by neutron scattering experiments of localized compounds and rare earth iso-structural reference is useful. We describe the electron states of heavy electron compounds NpPdAl and actinide and rare earth based iso-structural family.
Takahama, Ryusei*; Ishii, Toi*; Indo, Daigo*; Arizono, Mitsutoshi*; Terakura, Chieko*; Tokura, Yoshinori*; Takeshita, Nao*; Noda, Masaaki*; Kuwahara, Hideki*; Saiki, Takuo*; et al.
Physical Review Materials (Internet), 4(7), p.074401_1 - 074401_11, 2020/07
Yonetani, Yoshiteru*; Nakagawa, Hiroshi
Chemical Physics Letters, 749, p.137441_1 - 137441_5, 2020/06
We calculated solvent accessibility of DNA backbone hydrogen sites, H1'-H5' by using molecular dynamics simulation of DNA. The result of accessibility is well correlated with the site-dependent reactivity with OH radicals experimentally reported, indicating that the different DNA-radical reactivity is mainly caused by the difference in the solvent accessibility of each hydrogen site. Compared with the previous calculation with solvent-accessible surface area, the present MD-based counting of molecular access provided a slightly improved result, which suggests importance of more realistic molecular components such as electrostatic interactions and DNA conformational fluctuation.
Takayanagi, Tomohiro; Ueno, Tomoaki*; Horino, Koki*; Ono, Ayato; Yamamoto, Kazami; Kinsho, Michikazu
IEEE Transactions on Applied Superconductivity, 30(4), p.4901605_1 - 4901605_5, 2020/06
Saito, Hiroyuki*; Machida, Akihiko*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Sato, Toyoto*; Orimo, Shinichi*; Aoki, Katsutoshi*
Physica B; Physics of Condensed Matter, 587, p.412153_1 - 412153_6, 2020/06
The site occupancy of deuterium (D) atoms in face-centered-cubic nickel (fcc Ni) was measured along a cooling path from 1073 to 300 K at an initial pressure of 3.36 GPa via in situ neutron powder diffraction. Deuterium atoms predominantly occupy the octahedral (O) sites and slightly occupy the tetrahedral (T) sites of the fcc metal lattice. The O-site occupancy increases from 0.4 to 0.85 as the temperature is lowered from 1073 to 300 K. Meanwhile, the T-site occupancy remains c.a. 0.02. The temperature-independent behavior of the T-site occupancy is unusual, and its process is not yet understood. From the linear relation between the expanded lattice volume and D content, a D-induced volume expansion of 2.09(13) /D atom was obtained. This value is in agreement with the values of 2.14-2.2 /D atom previously reported for Ni and Ni Fe alloy.
Bao, S.*; Cai, Z.*; Si, W.*; Wang, W.*; Wang, X.*; Shangguan, Y.*; Ma, Z.*; Dong, Z.-Y.*; Kajimoto, Ryoichi; Ikeuchi, Kazuhiko*; et al.
Physical Review B, 101(21), p.214419_1 - 214419_8, 2020/06
Nagashima, Mariko*; Armbruster, T.*; Akasaka, Masahide*; Sano, Asami; Nishio-Hamane, Daisuke*; Malsy, A.*; Imaoka, Teruyoshi*; Nakashima, Kazuo*
Physics and Chemistry of Minerals, 47(6), p.29_1 - 29_18, 2020/06
Three non-metamict chevkinite-subgroup minerals, from Cape Ashizuri, Japan, Tangir Valley, Diamar District, Pakistan and Haramosh Mts., Skardu district, Pakistan, were studied by crystal chemical techniques. Powder X-ray diffraction and transmission electron microscopic observations confirmed well crystalline samples. Electron-microprobe analyses indicated the general composition known for chevkinite-(Ce). Site scattering values determined by single-crystal X-ray structure refinements suggested assignment of subordinate Nb to the octahedral M3 and M4 sites, minor Th to M1 for the Ashizuri sample and minor Mg to M1 for both samples from Pakistan. Neutron time-of-flight powder diffraction studies were applied to determine the Ti/Fe distribution among octahedral sites for all samples and Mossbauer spectroscopy served for the Fe valence assignment at the four octahedral sites. The dominant iron valence at M1 of the Haramosh sample is ferric whereas for samples Nos. 1 and 2 iron is ferrous.
Saito, Hiroyuki*; Machida, Akihiko*; Iizuka, Riko*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Sato, Toyoto*; Orimo, Shinichi*; Aoki, Katsutoshi*
Scientific Reports (Internet), 10, p.9934_1 - 9934_8, 2020/06
Neutron powder diffraction profiles were collected for iron deuteride (FeDx) while the temperature decreased from 1023 to 300 K for a pressure range of 4-6 GPa. The ' deuteride with a double hexagonal close-packed (dhcp) structure, which coexisted with other stable or metastable deutrides at each temperature and pressure condition, formed solid solutions with a composition of FeD at 673 K and 6.1 GPa and FeD at 603 K and 4.8 GPa. Upon stepwise cooling to 300 K, the D-content x increased to a stoichiometric value of 1.0 to form monodeuteride FeD. In the dhcp FeD at 300 K and 4.2 GPa, dissolved D atoms fully occupied the octahedral interstitial sites, slightly displaced from the octahedral centers in the dhcp metal lattice, and the dhcp sequence of close-packed Fe planes contained hcp-stacking faults at 12%. Magnetic moments with 2.11 0.06 B/Fe-atom aligned ferromagnetically in parallel on the Fe planes.
Kogawa, Hiroyuki; Wakui, Takashi; Naoe, Takashi; Haga, Katsuhiro; Takada, Hiroshi; Futakawa, Masatoshi
Journal of Nuclear Science and Technology, 57(5), p.487 - 494, 2020/05
Neutron flux per pulse reached world record at neutron source in the J-PARC. In the J-PARC, mercury target system is used as a spallation neutron source. A target vessel has the multi-walled protection system that comprises a mercury vessel enclosed with a double-walled water shroud. This is to prevent the leakage of the mercury outside the mercury vessel. The multi-walled structure needed to be complicated with a lot of welding lines. However, during the operation, we faced an unscheduled shutdown due to water leakage to the intermediate layer between the mercury vessel and water shroud. An investigation on the cause of the leakage was carried out. It is deduced that the leakage path was formed due to the crack propagation from welding defects that is caused by the complicated multi-walled structure. The crack propagation is attributed to the repeated stress by pressure waves generated in the mercury target. Based on the investigation results, the design was improved to remove the welding line on the complicated structure and to realize the stable operation with 1 MW proton beam.
Kofu, Maiko; Yamamuro, Osamu*
Journal of the Physical Society of Japan, 89(5), p.051002_1 - 051002_12, 2020/05
The behavior of hydrogen in metals has attracted much attention in fundamental and applied research areas for many decades. Among metals, palladium is remarkable in that it can absorb large quantities of hydrogen, and hydrogen atoms are highly mobile in the fcc Pd lattice. The dynamics of hydrogen in Pd have been investigated by means of neutron spectroscopy which is the best tool to provide insights into microscopic dynamics of hydrogen atoms. In this article, we review recent and historical neutron scattering works to facilitate the latest understanding of the hydrogen dynamics in bulk and nanometer-sized Pd hydrides.
Iida, Kazuki*; Kofu, Maiko; Suzuki, Katsuhiro*; Murai, Naoki; Kawamura, Seiko; Kajimoto, Ryoichi; Inamura, Yasuhiro; Ishikado, Motoyuki*; Hasegawa, Shunsuke*; Masuda, Takatsugu*; et al.
Journal of the Physical Society of Japan, 89(5), p.053702_1 - 053702_5, 2020/05
Abe, Nobuyuki*; Shiozawa, Shunsuke*; Matsuura, Keisuke*; Sagayama, Hajime*; Nakao, Akiko*; Ohara, Takashi; Tokunaga, Yusuke*; Arima, Takahisa*
Physical Review B, 101(18), p.180407_1 - 180407_5, 2020/05
Nakagawa, Hiroshi; Kataoka, Mikio*
Biochimica et Biophysica Acta; General Subjects, 1864(4), p.129536_1 - 129536_6, 2020/04
The rigidity and flexibility of a protein is reflected in its structural dynamics. Studies on protein dynamics often focus on flexibility and softness; this review focuses on protein structural rigidity. The extent of rigidity can be assessed experimentally with incoherent neutron scattering; a method that is complementary to molecular dynamics simulation. This experimental technique can provide information about protein dynamics in timescales of pico- to nanoseconds and at spatial scales of nanometers; these dynamics can help quantify the rigidity of a protein by indices such as force constant, Boson peak, dynamical transition, and dynamical heterogeneity. These indicators also reflect the rigidity of a protein's secondary and tertiary structures. In addition, the indices reveal how rigidity is influenced by different environmental parameters, such as hydration, temperature, pressure, and protein-protein interactions. Hydration affects both rigidity and softness more than other environmental factors. Interestingly, hydration affects harmonic and anharmonic motions in opposite ways. This difference is probably due to the protein's dynamic coupling with water molecules via hydrogen bonding.
Akagi, Hiroshi*; Kumada, Takayuki; Otobe, Tomohito*; Itakura, Ryuji*; Hasegawa, Hirokazu*; Oshima, Yasuhiro*
Chemistry Letters, 49(4), p.416 - 418, 2020/04
Xu, P. G.; Ikeda, Yoshimasa*; Hakoyama, Tomoyuki*; Takamura, Masato*; Otake, Yoshie*; Suzuki, Hiroshi
Journal of Applied Crystallography, 53(2), p.444 - 454, 2020/04
Kirihara, Yoichi; Nakashima, Hiroshi; Sanami, Toshiya*; Namito, Yoshihito*; Itoga, Toshiro*; Miyamoto, Shuji*; Takemoto, Akinori*; Yamaguchi, Masashi*; Asano, Yoshihiro*
Journal of Nuclear Science and Technology, 57(4), p.444 - 456, 2020/04
no abstracts in English