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Journal Articles

Neutron diffraction study of hydrogen site occupancy in Fe$$_{0.95}$$Si$$_{0.05}$$ at 14.7 GPa and 800 K

Mori, Yuichiro*; Kagi, Hiroyuki*; Kakizawa, Sho*; Komatsu, Kazuki*; Shito, Chikara*; Iizuka, Riko*; Aoki, Katsutoshi*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; et al.

Journal of Mineralogical and Petrological Sciences, 116(6), p.309 - 313, 2021/00

The Earth's core is believed to contain some light elements because it is 10% less dense than pure Fe under the corresponding pressure and temperature conditions. Hydrogen, a promising candidate among light elements, has phase relations and physical properties that have been investigated mainly for the Fe-H system. This study specifically examined an Fe-Si-H system using in-situ neutron diffraction experiments to investigate the site occupancy of deuterium of hcp-Fez$$_{0.95}$$Si$$_{0.05}$$ hydride at 14.7 GPa and 800 K. Results of Rietveld refinement indicate hcp-Fe$$_{0.95}$$Si$$_{0.05}$$ hydride as having deuterium (D) occupancy of 0.24(2) exclusively at the interstitial octahedral site in the hcp lattice. The effect on the site occupancy of D by addition of 2.6 wt% Si into Fe (Fe$$_{0.95}$$Si$$_{0.05}$$) was negligible compared to results obtained from an earlier study of an Fe-D system (Machida et al., 2019).

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; Condensed Matter, 587, p.412153_1 - 412153_6, 2020/06

 Times Cited Count:1 Percentile:23.44(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:0(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:7 Percentile:63.65(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

Site occupation state of deuterium atoms in fcc Fe

Aoki, Katsutoshi*; Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami

Hamon, 25(1), p.26 - 31, 2015/02

The deuterization process of fcc Fe to form solid-solution fcc FeD$$_x$$ was investigated by in situ neutron diffraction measurements at high temperature and high pressure. In a completely deuterized specimen at 988 K and 6.3 GPa, deuterium atoms occupy the octahedral and tetrahedral interstitial sites with an occupancy of 0.532(9) and 0.056(5), respectively, giving a deuterium composition $$x$$ of 0.64(1). During deuterization, the metal-lattice expands approximately linearly with deuterium composition at a rate of 2.21 $AA$^3$$ per deuterium atom. The minor occupation of tetrahedral site is likely driven by the intersite movement of deuterium atoms along the $$langle 111 rangle$$ direction in the fcc metal lattice. These results provide implications for the light elements in the Earth's core and the mechanism of hydrogen embrittlement of ferrous metals.

Journal Articles

Site occupation state of deuterium atoms in fcc Fe

Aoki, Katsutoshi*; Machida, Akihiko*; Saito, Hiroyuki*; Hattori, Takanori; Sano, Asami

Hamon, 25(1), p.26 - 31, 2015/02

The deuterization process of fcc Fe to form solid1solution fcc FeD$$_{x}$$ was investigated by ${{it in situ}}$ neutron diffraction measurements at high temperature and high pressure. In a completely deuterized specimen at 988 K and 6.3 GPa, deuterium atoms occupy the octahedral and tetrahedral interstitial sites with an occupancy of 0.532(9) and 0.056(5), respectively, giving a deuterium composition $$x$$ of 0.64(1). During deuterization, the metal-lattice expands approximately linearly with deuterium composition at a rate of 2.21 $AA${}^{3}$$ per deuterium atom. The minor occupation of tetrahedral site is likely driven by the intersite movement of deuterium atoms along the $$<$$111$$>$$ direction in the fcc metal lattice. These results provide implications for the light elements in the Earth's core and the mechanism of hydrogen embrittlement of ferrous metals.

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:34 Percentile:81.72(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

Formation of NaCl-type lanthanum monohydride under high pressure; Discovery of novel rare-earth metal hydride using synchrotron radiation X-ray and neutron

Machida, Akihiko; Honda, Mitsunori*; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Oshita, Hidetoshi*; Ikeda, Kazutaka*; Otomo, Toshiya*

Hamon, 23(2), p.131 - 136, 2013/05

Recently, we have revealed formation of NaCl-type LaD using synchrotron radiation X-ray diffraction and neutron diffraction measurements under high pressure. Previously, we have found that LaH$$_2$$ decomposes into two phases, which have different hydrogen compositions, the H-poor and H-rich phases, at 11 GPa at room temperature by synchrotron radiation X-ray diffraction. Recent neutron diffraction measurements on LaD$$_2$$ confirmed the formation of a NaCl-type LaD as the D-poor phase. This is the first observation of a formation of the rare-earth metal monodeuteride. Present result indicates that that rare-earth metal can form a series of stoichiometric hydrides, such as mono-, di-, and trihydride with the fcc metal lattice.

Journal Articles

A High energy component of the intense laser-accelerated proton beams detected by stacked CR-39

Kanasaki, Masato; Hattori, Atsuto; Sakaki, Hironao; Fukuda, Yuji; Yogo, Akifumi; Jinno, Satoshi; Nishiuchi, Mamiko; Ogura, Koichi; Kondo, Kiminori; Oda, Keiji*; et al.

Radiation Measurements, 50, p.46 - 49, 2013/03

 Times Cited Count:11 Percentile:70.63(Nuclear Science & Technology)

A precise measurement has been made utilizing a stacked CR-39 detectors unit for laser accelerated high intensity protons. The proton beams are derived from a thin polyimide target exposed to an high intense Ti:sapphire laser 8 J energy and 40 fs duration. The sample sets, stacked radiochromic film and CR-39 detectors covered with 13 $$mu$$m aluminum filter, are irradiated under vacuum condition. By analyzing the etch pits on the last layer of CR-39 which recorded etchable tracks, the proton energy in high energy region is evaluate more precisely than in the past. The residual ranges for each particle in the last layer has been obtained from etch pit growth curves with multi-stepetching technique. The maximum energy of proton is 14.39$$pm$$0.05 MeV. This method allows us to measure the maximum energy of proton precisely, which is obtained up to the hundredth place in unit of MeV in the laser-driven particle acceleration experiment.

Journal Articles

Formation of NaCl-type monodeuteride LaD by the disproportionation reaction of LaD$$_{2}$$

Machida, Akihiko; Honda, Mitsunori*; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Arima, Hiroshi*; Oshita, Hidetoshi*; et al.

Physical Review Letters, 108(20), p.205501_1 - 205501_5, 2012/05

 Times Cited Count:10 Percentile:58.4(Physics, Multidisciplinary)

Hydrogen atoms absorbed in a metal occupy the interstitial sites of the metal lattice. In an fcc metal lattice, each metal atom has two tetrahedral (T) and one octahedral (O) sites that can accommodate hydrogen. Rare-earth metal La forms T-site occupied LaH$$_2$$ and fully occupied LaH$$_3$$. O-site occupied or NaCl-type monohydride has yet to be reported for rare-earth metals. Previous X-ray diffraction measurements revealed the pressure-induced decomposition of an fcc-LaH$$_{2.3}$$ into H-rich and H-poor phases around 11 GPa. The present neutron diffraction measurements on LaD$$_{2}$$ confirm the formation of NaCl-type LaD as a counterpart of the D-rich LaD$$_{2+delta}$$ by disproportionation. First-principle calculations demonstrate that the NaCl-type LaH is stabilized at high pressures. Finding the NaCl-type LaH will pave the way for investigations on the site-dependent nature of hydrogen-metal interactions.

Journal Articles

Application of CR-39 solid state nuclear track detector to ion beam diagnosis

Kanasaki, Masato; Fukuda, Yuji; Sakaki, Hironao; Nishiuchi, Mamiko; Kondo, Kiminori; Kurashima, Satoshi; Kamiya, Tomihiro; Hattori, Atsuto*; Oda, Keiji*; Yamauchi, Tomoya*

Purazuma, Kaku Yugo Gakkai-Shi, 88(5), p.261 - 275, 2012/05

CR-39 solid state nuclear track detector, which was developed for optical lens, has been applied for various field such as radon surveys, measurement of galactic cosmic ray, cell irradiation experiment and so on. The CR-39 detectors have the great advantages of being insensitive to high energy photons and electrons and capable of detecting only ions in the mixed fields such as laser driven relativistic plasmas. Though there are some analytical methods of CR-39 to diagnose ion beam, unfortunately, only few researchers in the field of plasma know the methods. This article looks at how to use CR-39 detectors and introduce the accomplishment of the joint study JAEA and Kobe Univ. for application of CR-39 detectors to ion beam diagnosis.

Journal Articles

Structure of liquid water under high pressure up to 17 GPa

Katayama, Yoshinori; Hattori, Takanori; Saito, Hiroyuki; Ikeda, Takashi; Aoki, Katsutoshi; Fukui, Hiroshi*; Funakoshi, Kenichi*

Physical Review B, 81(1), p.014109_1 - 014109_6, 2010/01

 Times Cited Count:61 Percentile:89.83(Materials Science, Multidisciplinary)

The structure of liquid water was studied along the melting curve up to 17.1 GPa and 850 K by in situ X-ray diffraction. At low pressures, the local structure changed toward a simple liquid-like structure through an increase in the coordination number of water molecules. Once densely packed structure of water molecules was achieved around 4 GPa, the volume was reduced through the decrease of the intermolecular distance on further compression. Classical molecular dynamics simulations well reproduced the experimental results although the degree of agreement depended on pressure. Limitations of the pair potential model were discussed.

Journal Articles

High-pressure structural study on amorphous materials using cBN anvils

Hattori, Takanori; Saito, Hiroyuki; Kaneko, Hiroshi; Okajima, Yuka; Aoki, Katsutoshi; Utsumi, Wataru

KEK Proceedings 2007-7, p.56 - 60, 2007/12

We introduce high-pressure study on amorphous materials using a multi-anvils press equipped with the X-ray transparent cBN anvils. First, we mention merits of the angle-dispersive X-ray diffraction system compared with the conventional energy-dispersive system. Next, we show the results of the verification of the high-pressure formation of the elemental bulk metallic glass as an example. Finally, the characteristics of X-ray absorption are shown both for the combinational sintered diamond anvils and the presently used cBN anvils.

Journal Articles

Does bulk metallic glass of elemental Zr and Ti exist ?; Verification of the high-pressure formation of amorphous Zr and Ti

Hattori, Takanori; Saito, Hiroyuki; Aoki, Katsutoshi; Kaneko, Hiroshi; Okajima, Yuka; Utsumi, Wataru

Nihon Kessho Gakkai-Shi, 49(3), p.179 - 185, 2007/06

The high-pressure formation of the bulk metallic glass of elemental Zr and Ti, which has been recently reported, is verified by a newly developed angle dispersive X-ray diffraction (ADX) system using a large volume multi-anvil apparatus equipped with X-ray transparent anvils. The ADX data revealed that Zr and Ti remain as a crystalline form at high-pressure and temperature condition where the amorphization has been reported. The misinterpretation in the previous papers is attributed to the anomalous rapid grain growth that is related to the characteristic lattice dynamic and the resulting anomalously fast self diffusion in the high-temperature phases of Zr and Ti.

Journal Articles

Phantom of elemental bulk metallic glass; Verification of the amorphous formation of Zr and Ti under pressure

Hattori, Takanori; Saito, Hiroyuki; Utsumi, Wataru; Aoki, Katsutoshi; Kaneko, Hiroshi; Okajima, Yuka

SPring-8 Riyosha Joho, 12(1), p.45 - 50, 2007/01

no abstracts in English

Journal Articles

Does bulk metallic glass of elemental Zr and Ti exist?

Hattori, Takanori; Saito, Hiroyuki; Kaneko, Hiroshi; Okajima, Yuka; Aoki, Katsutoshi; Utsumi, Wataru

Physical Review Letters, 96(25), p.255504_1 - 255504_4, 2006/06

 Times Cited Count:26 Percentile:75.82(Physics, Multidisciplinary)

To verify the high-pressure formation of the bulk metallic glass in elemental Zr and Ti, which Zhang and Zhao and Y. Wang ${it et al.}$ recently reported, the high-pressure states were investigated by our newly developed $textit{in-situ}$ angle-dispersive X-ray diffraction using a two-dimensional detector and X-ray transparent anvils. Despite the disappearance of all the Bragg peaks in the one-dimensional energy-dispersive data, two-dimensional angle-dispersive data showed several intense Bragg spots even at the conditions where the amorphization was reported. This finding suggests that Zr and Ti do not transform into an amorphous state, but that their grain size becomes large, which causes the missing Bragg peaks in energy-dispersive data.

Oral presentation

Suspicious amorphous formation in Zr and Ti and the truth

Hattori, Takanori; Saito, Hiroyuki; Kaneko, Hiroshi; Okajima, Yuka; Aoki, Katsutoshi; Utsumi, Wataru

no journal, , 

no abstracts in English

Oral presentation

Structure of water under high pressure and temperature

Katayama, Yoshinori; Hattori, Takanori; Saito, Hiroyuki; Aoki, Katsutoshi; Fukui, Hiroshi*; Funakoshi, Kenichi*

no journal, , 

The unique properties of liquid water are related hydrogen bonded network structure. Simulation studies predicted drastic changes such as weakening of hydrogen-bonded network structure and molecular dissociation in a pressure range from a few GPa to a few tens GPa. We have measured in-situ X-ray diffraction of liquid water just above the melting temperature at pressures up to 17 GPa using a cubic-type multi-anvil press on BL14B1 beamline and a Kawai-type double-stage press on BL04B1 beamline at SPring-8 synchrotron radiation facility. Below 5 GPa, the coordination number of water molecules rapidly increased to about 9 while inter-molecular distance stayed almost constant. In other words, the local structure changed to a simple structure with increasing pressure. Above this pressure, the volume reduction was attributed to a decreased of inter-molecular distance.

Oral presentation

Structure of water under high pressure and temperature, 2

Katayama, Yoshinori; Hattori, Takanori; Saito, Hiroyuki; Aoki, Katsutoshi; Funakoshi, Kenichi*; Tange, Yoshinori*

no journal, , 

Liquid water at ambient conditions shows unique properties because of hydrogen-bonded network structure. We conducted high-pressure high-temperature X-ray diffraction experiments up to 17 GPa at the SPring-8 synchrotron radiation facility and reported that the local structure changed towards a simple liquid-like structure through an increase of coordination number. We have extended the pressure range to 20 GPa and the results will be reported. However these data were measured just above the melting temperature at each pressure so that the effect of pressure (density) and that of temperature could not be separated. In this work, we have conducted X-ray diffraction measurement at various temperatures near 1 GPa. The shoulder of the first peak in S(Q) vanished at 200 $$^{circ}$$C and the first peak became symmetric at 600 $$^{circ}$$C. This result suggests a structural change from a low coordinated structure to a simple liquid-like structure.

Oral presentation

Structure of liquid water under high pressure and high temperature

Katayama, Yoshinori; Hattori, Takanori; Saito, Hiroyuki; Ikeda, Takashi; Aoki, Katsutoshi; Fukui, Hiroshi*; Funakoshi, Kenichi*

no journal, , 

Liquid water shows unique properties and they are related to a network structure formed by hydrogen bonds. The coordination number of water molecules is close to 4 at ambient condition. We have measured X-ray diffraction of liquid water under high-pressure and high-temperature conditions just above the melting line up to 9 GPa using a cubic-type multi-anvil press on BL14B1 and up to 17 GPa using a Kawai-type press at BL04B1 at SPring-8. The coordination number of water molecules increased rapidly to about 10 around 5 GPa while the intermolecular distance was almost constant. On further compression, the volume was reduced through the decrease of the intermolecular distance. Classical molecular dynamics simulations were also performed for comparison. They well reproduced the experimental results although the degree of agreement depended on pressure. These results are compared with results of previous neutron scattering, X-ray diffraction and first-principles molecular dynamics studies.

58 (Records 1-20 displayed on this page)