Ohashi, Tomonori*; Sakamaki, Tatsuya*; Funakoshi, Kenichi*; Hattori, Takanori; Hisano, Naoki*; Abe, Jun*; Suzuki, Akio*
American Mineralogist, 107(3), p.325 - 335, 2022/03
The basaltic glass structure were investigated to 18 GPa using in situ X-ray and neutron diffraction. The O-O coordination number (CN) starts to rise with maintaining the mean O-O distance (r) above 2-4 GPa, and then CN stops increasing and r begins to shrink along with the increase in the Al-O coordination number (CN) above 9 GPa. This is interpreted by the change in the contraction mechanism from tetrahedral network bending to oxygen packing ratio increase via the CN increase. The oxygen packing fraction exceeds the value for dense random packing, suggesting that the oxygen-packing hypothesis cannot account for the pressure-induced structural transformations of silica and silicate glasses. The CN increase at 2-4 GPa reflects the elastic softening of silicate glass, which may causes anomalous elastic moduli of basaltic glass at 2 GPa.
Iizuka, Riko*; Goto, Hirotada*; Shito, Chikara*; Fukuyama, Ko*; Mori, Yuichiro*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Kagi, Hiroyuki*
Scientific Reports (Internet), 11(1), p.12632_1 - 12632_10, 2021/06
The Earth's core consist of Fe-Ni alloy with some light elements (H, C, O, Si, S etc.). Hydrogen (H) is the most abundant element in the universe and one of the promising candidates. In this study, we have investigated the effects of sulfur(S) on hydrogenation of iron-hydrous silicate system containing saturated water in the ideal composition of the primitive Earth. We observed a series of phase transitions of Fe, dehydration of the hydrous mineral, and formation of olivine and enstatite with increasing temperature. The FeS formed as the coexisting phase of Fe under high-pressure and temperature condition, but its unit cell volume did not increase, suggesting that FeS is hardly hydrogenated. Recovered samples exhibited that H and S can be incorporated into solid Fe, which lowers the melting temperature as Fe(H)-FeS system. No detection of other light elements (C, O, Si) in solid Fe suggests that they dissolve into molten iron hydride and/or FeS in the later process of Earth's core-mantle differentiation.
Sano, Asami; Kakizawa, Sho*; Shito, Chikara*; Hattori, Takanori; Machida, Shinichi*; Abe, Jun*; Funakoshi, Kenichi*; Kagi, Hiroyuki*
High Pressure Research, 41(1), p.65 - 74, 2021/03
We applied Kawai-type multi-anvil assemblies (MA6-8) for time-of-flight neutron-diffraction experiments to achieve high pressures and high temperatures simultaneously. To achieve sufficient signal intensities, the angular access to the sample was enlarged using slits and tapers on the first-stage anvils. Using SiC-binder sintered diamond for the second-stage anvils that transmits neutrons, sufficient signal intensities were achieved at a high-pressure of 23.1 GPa. A high-temperature experiment was also conducted at 16.2 GPa and 973 K, validating the use of tungsten carbide for the second-stage anvils. The present study reveals the capability of the MA6-8 cells in neutron-diffraction experiments to attain pressures and temperatures beyond the limits of the conventional MA6-6 cells used in the high-pressure neutron diffractometer PLANET at the MLF, J-PARC.
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-FezSi hydride at 14.7 GPa and 800 K. Results of Rietveld refinement indicate hcp-FeSi 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 (FeSi) was negligible compared to results obtained from an earlier study of an Fe-D system (Machida et al., 2019).
Hattori, Takanori; Sano, Asami; Machida, Shinichi*; Ouchi, Keiichi*; Kira, Hiroshi*; Abe, Jun*; Funakoshi, Kenichi*
High Pressure Research, 40(3), p.325 - 338, 2020/09
To understand the practical effects of pressure-transmitting media (PTM) on neutron diffraction using Paris-Edinburgh presses, diffraction patterns of MgO were collected to approximately 20 GPa using PTMs of Pb, AgCl, 4:1 methano-ethanol (ME) mixture with and without heating, N, and Ar. Hydrostaticity in the sample chamber estimated from the MgO 220 peak width improves in the order of Pb, AgCl, Ar, ME mixture, N, and the heated ME mixture. Unlike previous results using a diamond anvil cell, the unheated ME mixture is superior to Ar even after freezing, probably due to the cup on the anvil face. Considering these results and the sizable coherent scattering of Ne, which would show good hydrostaticity, we conclude that the ME mixture (preferably the heated one) is the best PTM in neutron experiments up to 20 GPa, while Ar can be substituted when a sample is reactive to alcohols.
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
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) atom was obtained. This value is in agreement with the values of 2.14-2.2 atom previously reported for Ni and Ni Fe alloy.
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.
Urakawa, Satoru*; Inoue, Toru*; Hattori, Takanori; Sano, Asami; Kohara, Shinji*; Wakabayashi, Daisuke*; Sato, Tomoko*; Funamori, Nobumasa*; Funakoshi, Kenichi*
Minerals (Internet), 10(1), p.84_1 - 84_13, 2020/01
The structure of hydrous amorphous SiO is fundamental to investigate the effects of water on the physicochemical properties of oxide glasses and magma. The hydrous SiO glass with 13 wt.% DO was synthesized under high-pressure and high-temperature conditions and its structure was investigated by small angle X-ray scattering, X-ray diffraction, and neutron diffraction experiments at pressures of up to 10 GPa and room temperature. This hydrous glass is separated into a SiO rich major phase and a DO rich minor phase. Medium-range order of the hydrous glass shrinks compared to the anhydrous SiO glass due to disruption of SiO linkage by formation of Si-OD deuterioxyl, while the pressure response is similar. Most of DO molecules are in the small domains and hardly penetrate into SiO major phase.
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
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 () and pressure () conditions, including those corresponding to the Earth's inner core. 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 compositions when . 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) /H-atom, which was larger than that of the face-centered cubic (fcc) hydride. The hcp hydride showed an increase in with , whereas the fcc hydride showed a corresponding decrease. The present study provides guidance for further investigations of the Fe-H system over an extensive -- region.
Hattori, Takanori; Sano, Asami; Machida, Shinichi*; Abe, Jun*; Funakoshi, Kenichi*; Arima, Hiroshi*; Okazaki, Nobuo*
High Pressure Research, 39(3), p.417 - 425, 2019/06
We have developed a technique for neutron diffraction experiments at pressures up to 40 GPa using a Paris-Edinburgh press at the PLANET beamline in J-PARC. To increase the maximum accessible pressure, the diameter of the dimple for sample chamber at the top of the sintered diamond anvils is sequentially reduced from 4.0 mm to 1.0 mm. As a result, the maximum pressure increased and finally reached 40 GPa. By combining this technique with the beam optics which defines the gauge volume, diffraction patterns sufficient for full-structure refinements are obtainable at such pressures.
Hattori, Takanori; Sano, Asami; Machida, Shinichi*; Abe, Jun*; Funakoshi, Kenichi*; Okazaki, Nobuo*
Nihon Kessho Gakkai-Shi, 59(6), p.301 - 308, 2017/12
PLANET is a neutron beamline dedicated to high-pressure experiments. Combining the intense neutron source of J-PARC and high-pressure devices designed for time-of-flight powder neutron diffraction enables precise structure analysis of crystal, liquid and amorphous solids over wide pressure and temperature region of 0-20 GPa and 77-2000K. This beamline is effective for various studies in geophysics, planetary science, physics and chemistry. This paper overviews the beamline and introduces recent results obtained at PLANET.
Nakajima, Kenji; Kawakita, Yukinobu; Ito, Shinichi*; Abe, Jun*; Aizawa, Kazuya; Aoki, Hiroyuki; Endo, Hitoshi*; Fujita, Masaki*; Funakoshi, Kenichi*; Gong, W.*; et al.
Quantum Beam Science (Internet), 1(3), p.9_1 - 9_59, 2017/12
The neutron instruments suite, installed at the spallation neutron source of the Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex (J-PARC), is reviewed. MLF has 23 neutron beam ports and 21 instruments are in operation for user programs or are under commissioning. A unique and challenging instrumental suite in MLF has been realized via combination of a high-performance neutron source, optimized for neutron scattering, and unique instruments using cutting-edge technologies. All instruments are/will serve in world-leading investigations in a broad range of fields, from fundamental physics to industrial applications. In this review, overviews, characteristic features, and typical applications of the individual instruments are mentioned.
Liss, K.-D.*; Funakoshi, Kenichi*; Dippenaar, R. J.*; Higo, Yuji*; Shiro, Ayumi*; Reid, M.*; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi
Metals, 6(7), p.165_1 - 165_22, 2016/07
Titanium aluminides find application in modern light-weight, high-temperature turbines, such as aircraft engines, but suffer from poor plasticity during manufacturing and processing. Huge forging presses enable materials processing in the 10 GPa range and hence, it is necessary to investigate the phase-diagrams of candidate materials under these extreme conditions. Here we report on an in-situ synchrotron X-ray diffraction study in a large-volume-press of a modern ( + ) two-phase material, Ti-45Al-7.5Nb-0.25C, under pressures up to 9.6 GPa and temperatures up to 1686 K. At room temperature, the volume response to pressure is accommodated by the transformation rather than volumetric strain, expressed by apparently high bulk moduli of both constituent phases. Crystallographic aspects, specifically lattice strain and atomic order are discussed in detail. It is interesting to note that this transformation takes place despite an increase in atomic volume, which is due to the high ordering energy of . Upon heating under high pressure, both the eutectoid and -solvus transition temperatures are elevated, and a third, cubic -phase is stabilized above 1350 K. Earlier research has shown that this -phase is very ductile during plastic deformation, essential in near-conventional forging processes. Here, we were able to identify an ideal processing window for near-conventional forging, while the presence of the detrimental -phase is not present under operating conditions. Novel processing routes can be defined from these findings.
Hattori, Takanori; Sano, Asami; Arima, Hiroshi*; Funakoshi, Kenichi*; Abe, Jun*; Machida, Shinichi*; Okazaki, Nobuo*; Ouchi, Keiichi*; Inamura, Yasuhiro
Koatsuryoku No Kagaku To Gijutsu, 26(2), p.89 - 98, 2016/06
PLANET is a high-pressure neutron beamline constructed at pulsed-neutron source in Materials and Life Science Facility (MLF) in J-PARC. The six-axis multi-anvil press designed for time of flight (TOF) neutron diffraction experiments enables routine data collection at high pressures and high temperatures up to 10 GPa and 2000 K, respectively. To obtain clean data, the beamline is equipped with the incident slits and receiving collimators that eliminate parasitic scattering from the high-pressure cell. The high performance of the diffractometer for the resolution ( 0.6%) and the accessible d-spacing range (0.2 - 8.4 ) together with low-parasitic scattering characteristics enables precise structure determination of crystals and liquids under high pressure and temperature conditions.
Sakamaki, Tatsuya*; Suzuki, Akio*; Otani, Eiji*; Terasaki, Hidenori*; Urakawa, Satoru*; Katayama, Yoshinori; Funakoshi, Kenichi*; Wang, Y.*; Hernlund, J. W.*; Ballmer, M. D.*
Nature Geoscience, 6(12), p.1041 - 1044, 2013/12
The bounday between Earth's rigid lighosphere and the underlying, ductile ashenosphere is marked by a distinct siseismic discontinuity. We measure the density, viscosity and structure of basaltic magmas using high-pressure and high-temperature experiments and in situ X-ray analysis under pressure of up to 5.5 GPa. We find that the magmas rapidly become denser with increasing presure and show a viscosity minimum near 4 GPa. Magma mobility determined by the density and viscosity data exhibits a peak at pressures corresponding to depths of 120-150 km, within the asthenosphere. The diminishing mobility of magma in Earth's asthenosphere as the mlets ascend could lead to excessive melt accumulation at depths of 80-100 km, at the lithosphere-asthenosphere boundary. It is concluded that the observed seismic discontinuity at the lithosphere-asthenosphere boundary records this accumulation of melt.
Brazhkin, V. V.*; Farnan, I.*; Funakoshi, Kenichi*; Kanzaki, Masami*; Katayama, Yoshinori; Lyapin, A. G.*; Saito, Hiroyuki
Physical Review Letters, 105(11), p.115701_1 - 115701_4, 2010/09
Liquid BO represents an archetypical oxide melt with the cation coordination number 3 and unusual structural units - planar boroxol rings. It features super-high viscosity at melting temperature. The results of the X-ray diffraction study and viscosity measurements of the BO liquid under high pressure up to 8 GPa are presented. Additionally, the NMR study of BO glasses quenched from the melt at different pressures has been carried out. The number of the boroxol rings in the melt rapidly decreases with pressure. The viscosity of the BO melt along the melting curve drops by 4 orders of magnitude as the pressure increases up to 5.5 GPa and remains unchanged on further pressure increase.
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
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.
Fuchizaki, Kazuhiro*; Hase, Takaki*; Yamada, Akihiro*; Hamaya, Nozomu*; Katayama, Yoshinori; Funakoshi, Kenichi*
Journal of Chemical Physics, 130(12), p.121101_1 - 121101_4, 2009/03
In situ synchrotron X-ray diffraction measurements on tin tetraiodide, which consists of SnI tetrahedral molecules at ambient pressure, have been performed. It was established that the liquid forms existing above and below 1.5 GPa, where the slope of the melting curve of the solid phase changes abruptly, have different structures. This discovery offers evidence of thermodynamically stable polyamorphism in general compounds as well as in elements. A possible phase diagram that includes the two amorphous states already found is proposed based on the pseudobinary regular solution model. The vertex-to-face orientation between the nearest molecules plays a key role in the transition from the low-pressure to the high-pressure liquid phase.
Brazhkin, V. V.*; Kanzaki, Masami*; Funakoshi, Kenichi*; Katayama, Yoshinori
Physical Review Letters, 102(11), p.115901_1 - 115901_4, 2009/03
As-S liquid undergoes structural transformation form a molecular liquid into a polymerized one, then into a metallic one. We have measured the viscosity of the As-S liquid under high pressures and found large viscosity variations by 4-5 orders of magnitude. The viscosity values of the As-s liquids are moderate in the molecular state, very high in the covalent state, and low in the metallic state. From these results, it is possible to predict the viscosity behavior in other melts under pressure. The possibility of varying the viscosity value of the melts under pressure by many orders of magnitude is of great importance for materials science and earth science.
Brazhkin, V. V.*; Funakoshi, Kenichi*; Kanzaki, Masami*; Katayama, Yoshinori
Physical Review Letters, 99(24), p.245901_1 - 245901_4, 2007/12
Viscosity is one of the fundamental physical properties of liquids; for different melts it varies in an extremely wide range. Selenium is among the first elementary substances to have manifested, at compression, a phase transformation in the liquid state accompanied by melt metallization. Direct measurements by means of a real-time radiography show that the viscosity of liquid Se under pressure drops by 500 times to a very low level of 8 mPa s. This is the first case of viscosity measurements being performed both for a relatively viscous semiconducting state and a low-viscous metallic state of the same liquid substance. The viscosity of the Se melt strongly decreases with pressure along the melting curve in a semiconducting state and experiences a further significant drop at melt metallization. A similar phenomenon is expected to be observed in many chalcohenide, halogenide and oxide melts.