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Journal Articles

Neutron diffraction study on the deuterium composition of nickel deuteride at high temperatures and high pressures

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

 Times Cited Count:0 Percentile:100(Physics, Condensed Matter)

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) ${AA $^{3}$/D}$ atom was obtained. This value is in agreement with the values of 2.14-2.2 ${AA $^{3}$/D}$ atom previously reported for Ni and Ni$$_{0.8}$$ Fe$$_{0.2}$$ alloy.

Journal Articles

Crystal and magnetic structures of double hexagonal close-packed iron deuteride

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

 Times Cited Count:0 Percentile:100(Multidisciplinary Sciences)

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 $$varepsilon$$' 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$$_{0.68(1)}$$ at 673 K and 6.1 GPa and FeD$$_{0.74(1)}$$ 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$$_{1.0}$$. In the dhcp FeD$$_{1.0}$$ 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 $$pm$$ 0.06 B/Fe-atom aligned ferromagnetically in parallel on the Fe planes.

Journal Articles

Hexagonal close-packed iron hydride behind the conventional phase diagram

Machida, Akihiko*; Saito, Hiroyuki*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Sato, Toyoto*; Orimo, Shinichi*; Aoki, Katsutoshi*

Scientific Reports (Internet), 9(1), p.12290_1 - 12290_9, 2019/08

 Times Cited Count:3 Percentile:34.9(Multidisciplinary Sciences)

Hexagonal close-packed iron hydride, hcp FeHx, is absent from the conventional phase diagram of the Fe-H system, although hcp metallic Fe exists stably over extensive temperature ($$T$$) and pressure ($$P$$) conditions, including those corresponding to the Earth's inner core. ${{it In situ}}$ X-ray and neutron diffraction measurements at temperatures ranging from 298 to 1073 K and H pressures ranging from 4 to 7 GPa revealed that the hcp hydride was formed for FeH$$_{x}$$ compositions when $$x < 0.6$$. Hydrogen atoms occupied the octahedral interstitial sites of the host metal lattice both partially and randomly. The hcp hydride exhibited a H-induced volume expansion of 2.48(5) $AA $^{3}$$/H-atom, which was larger than that of the face-centered cubic (fcc) hydride. The hcp hydride showed an increase in $$x$$ with $$T$$, whereas the fcc hydride showed a corresponding decrease. The present study provides guidance for further investigations of the Fe-H system over an extensive $$x$$-$$T$$-$$P$$ region.

Journal Articles

True Boundary for the formation of homoleptic transition-metal hydride complexes

Takagi, Shigeyuki*; Iijima, Yuki*; Sato, Toyoto*; Saito, Hiroyuki; Ikeda, Kazutaka*; Otomo, Toshiya*; Miwa, Kazutoshi*; Ikeshoji, Tamio*; Aoki, Katsutoshi*; Orimo, Shinichi*

Angewandte Chemie; International Edition, 54(19), p.5650 - 5653, 2015/05

 Times Cited Count:23 Percentile:29.5(Chemistry, Multidisciplinary)

Journal Articles

Site occupancy of interstitial deuterium atoms in face-centred cubic iron

Machida, Akihiko; Saito, Hiroyuki; Sugimoto, Hidehiko*; Hattori, Takanori; Sano, Asami; Endo, Naruki*; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.

Nature Communications (Internet), 5, p.5063_1 - 5063_6, 2014/09

 Times Cited Count:28 Percentile:17.88(Multidisciplinary Sciences)

Iron hydride FeH$$_x$$, is thermodynamically stable only at high hydrogen pressure of several GPa. To investigate the hydrogenation process and hydrogen state in iron hydride, it is necessary to carry out the in-situ measurement under high pressure and high temperature. In this study, we performed the in-situ neutron diffraction measurement of Fe-D system using the high pressure neutron diffractometer PLANET in the MLF, J-PARC, and determined the deuterium occupying sites and occupancies in fcc-FeD$$_x$$. We found the minor occupation of tetrahedral sites under high pressure and high temperature. We considered the mechanism of the minor occupation based on the Quantum-mechanical calculation.

Journal Articles

Unusual sevenfold coordination of Ru in complex hydride Na$$_{3}$$RuH$$_{7}$$; Prospect for formation of [FeH$$_{7}$$]$$^{3-}$$ anion

Takagi, Shigeyuki*; Ikeshoji, Tamio*; Matsuo, Motoaki*; Sato, Toyoto*; Saito, Hiroyuki; Aoki, Katsutoshi; Orimo, Shinichi*

Applied Physics Letters, 103(11), p.113903_1 - 113903_4, 2013/09

 Times Cited Count:8 Percentile:58.33(Physics, Applied)

Oral presentation

Structural studies of iron deuteride by in-situ neutron diffraction measurements under high temperature and high pressure

Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Sato, Toyoto*; Matsuo, Motoaki*; et al.

no journal, , 

no abstracts in English

Oral presentation

In situ neutron diffraction measurement on deuterization process of iron at high pressure and high temperature

Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki*; Watanuki, Tetsu; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.

no journal, , 

Iron hydride FeH$$_x$$, is thermodynamically stable only at high hydrogen pressure of several GPa. Three hydride phases, bcc-FeH$$_x$$ ($$x < 0.05$$), dhcp-FeH$$_x$$ ($$x sim 1$$), and fcc-FeH$$_x$$ ($$x = 0 - 1$$) were confirmed at 300-2000 K and 0-20 GPa. In situ neutron diffraction measurement on their deutrides have not been reported yet. A high pressure neutron diffractometor, PLANET, constructed at Materials and Life Science Experimental Facility at J-PARC, enables us to perform in situ neutoron diffraction measurements on deuterization process of metals at high pressure and high temperature. With PLANET, the deuteration process of iron was investigated at a pressure of about 7 GPa and temperatures up to about 1000 K. This in situ measurement was successfully made using a deuterization reaction cell developed for neutron diffraction measurement. We observed the bcc-fcc transition of pure iron around 800 K and successive deuterization of fcc-Fe around 870 K.

Oral presentation

${it In situ}$ neutron diffraction measurement on the deuterization process of Fe at high temperature and high pressure

Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki; Watanuki, Tetsu; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.

no journal, , 

no abstracts in English

Oral presentation

Study of deuterization reaction process of iron at high pressure using in situ neutron diffraction measurement

Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki; Watanuki, Tetsu; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.

no journal, , 

no abstracts in English

Oral presentation

Feasibility study for observation of superabundant vacancy formation by neutron diffraction measurements under high temperature and high pressure

Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Sato, Toyoto*; Orimo, Shinichi*; Aoki, Katsutoshi

no journal, , 

no abstracts in English

Oral presentation

Syntheses of complex hydrides under high pressure and high temperature using synchrotron X-ray diffraction measurement

Saito, Hiroyuki; Takagi, Shigeyuki*; Iijima, Yuki*; Sato, Toyoto*; Matsuo, Motoaki*; Aoki, Katsutoshi*; Orimo, Shinichi*

no journal, , 

no abstracts in English

12 (Records 1-12 displayed on this page)
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