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Journal Articles

Determination of atomistic deformation of tricalcium silicate paste with high-volume fly ash

Jee, H.*; Im, S.*; Kanematsu, Manabu*; Suzuki, Hiroshi; Morooka, Satoshi; Koyama, Taku*; Machida, Akihiko*; Bae, S.*

Journal of the American Ceramic Society, 103(12), p.7188 - 7201, 2020/12

 Times Cited Count:0 Percentile:100(Materials Science, Ceramics)

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

Analysis of atomistic structural deformation characteristics of calcium silicate hydrate in 53-year-old tricalcium silicate paste using atomic pair distribution function

Bae, S.*; Jee, H.*; Suh, H.*; Kanematsu, Manabu*; Shiro, Ayumi*; Machida, Akihiko*; Watanuki, Tetsu*; Shobu, Takahisa; Morooka, Satoshi; Geng, G.*; et al.

Construction and Building Materials, 237, p.117714_1 - 117714_10, 2020/03

 Times Cited Count:1 Percentile:100(Construction & Building Technology)

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

Pair distribution function analysis of nanostructural deformation of calcium silicate hydrate under compressive stress

Bae, S.*; Jee, H.*; Kanematsu, Manabu*; Shiro, Ayumi*; Machida, Akihiko*; Watanuki, Tetsu*; Shobu, Takahisa; Suzuki, Hiroshi

Journal of the American Ceramic Society, 101(1), p.408 - 418, 2018/01

 Times Cited Count:6 Percentile:41.07(Materials Science, Ceramics)

Despite enormous interest in calcium silicate hydrate (C-S-H), its detailed atomic structure and intrinsic deformation under an external load are lacking. This study demonstrates the nanostructural deformation process of C-S-H in tricalcium silicate (C$$_{3}$$S) paste as a function of applied stress by interpreting atomic pair distribution function (PDF) based on in situ X-ray scattering. Three different strains in C$$_{3}$$S paste under compression were compared using a strain gauge and the real and reciprocal space PDFs. PDF refinement revealed that the C-S-H phase mostly contributed to PDF from 0 to 20${AA}$ whereas crystalline phases dominated that beyond 20${AA}$. The short-range atomic strains exhibited two regions for C-S-H: I) plastic deformation (0-10 MPa) and II) linear elastic deformation ($$>$$10 MPa), whereas the long-range deformation beyond 20${AA}$ was similar to that of Ca(OH)$$_{2}$$. Below 10 MPa, the short-range strain was caused by the densification of C-S-H induced by the removal of interlayer or gel-pore water. The strain is likely to be recovered when the removed water returns to C-S-H.

Journal Articles

Maximizing $$T_c$$ by tuning nematicity and magnetism in FeSe$$_{1-x}$$S$$_x$$ superconductors

Matsuura, Kohei*; Mizukami, Yuta*; Arai, Yuki*; Sugimura, Yuichi*; Maejima, Naoyuki*; Machida, Akihiko*; Watanuki, Tetsu*; Fukuda, Tatsuo; Yajima, Takeshi*; Hiroi, Zenji*; et al.

Nature Communications (Internet), 8, p.1143_1 - 1143_6, 2017/10

 Times Cited Count:37 Percentile:9.91(Multidisciplinary Sciences)

Journal Articles

Mineralogical characterization of radioactive particles from Fukushima soil using $$mu$$-XRD with synchrotron radiation

Motai, Satoko*; Mukai, Hiroki*; Watanuki, Tetsu; Owada, Kenji; Fukuda, Tatsuo; Machida, Akihiko; Kuramata, Chisaki*; Kikuchi, Ryosuke*; Yaita, Tsuyoshi; Kogure, Toshihiro*

Journal of Mineralogical and Petrological Sciences, 111(5), p.305 - 312, 2016/10

 Times Cited Count:11 Percentile:38.29(Mineralogy)

no abstracts in English

Journal Articles

Investigation of elastic deformation mechanism in as-cast and annealed eutectic and hypoeutectic Zr-Cu-Al metallic glasses by multiscale strain analysis

Suzuki, Hiroshi; Yamada, Rui*; Tsubaki, Shinki*; Imafuku, Muneyuki*; Sato, Shigeo*; Watanuki, Tetsu; Machida, Akihiko; Saida, Junji*

Metals, 6(1), p.12_1 - 12_11, 2016/01

 Times Cited Count:2 Percentile:78.91(Materials Science, Multidisciplinary)

Elastic deformation behaviors of as-cast and annealed eutectic and hypoeutectic Zr-Cu-Al bulk metallic glasses (BMGs) were investigated on a basis of different strain-scales determined by X-ray scattering and the strain gauge. The microscopic strains determined by Direct-space method (DSM) and Q-space method (QSM) were compared with the macroscopic strain measured by the strain gauge, and the difference in the deformation mechanism between eutectic and hypoeutectic Zr-Cu-Al BMGs was investigated by their correlation. The eutectic Zr$$_{50}$$Cu$$_{40}$$Al$$_{10}$$ BMG obtains more homogeneous microstructure by free-volume annihilation after annealing, improving a resistance to deformation but degrading ductility because of a decrease in the volume fraction of WBRs (Weakly-Bonded Regions) with relatively high mobility. On the other hand, the as-cast hypoeutectic Zr$$_{60}$$Cu$$_{30}$$Al$$_{10}$$ BMG originally has homogeneous microstructure, but loses its structural and elastic homogeneities because of nanocluster formation after annealing. Such structural changes after annealing might develop unique mechanical properties showing no degradations of ductility and toughness for the structural-relaxed hypoeutectic BMGs.

Journal Articles

Hydrogenation of $$L$$1$$_{2}$$-type AlNi$$_{3}$$ alloy at high pressure and temperature

Endo, Naruki*; Saito, Hiroyuki; Machida, Akihiko; Katayama, Yoshinori

Journal of Alloys and Compounds, 645(Suppl.1), p.S61 - S63, 2015/10

 Times Cited Count:0 Percentile:100(Chemistry, Physical)

Journal Articles

Melting of Pb charge glass and simultaneous Pb-Cr charge transfer in PbCrO$$_{3}$$ as the origin of volume collapse

Yu, R.*; Hojo, Hajime*; Watanuki, Tetsu; Mizumaki, Masaichiro*; Mizokawa, Takashi*; Oka, Kengo*; Kim, H.*; Machida, Akihiko; Sakaki, Koji*; Nakamura, Yumiko*; et al.

Journal of the American Chemical Society, 137(39), p.12719 - 12728, 2015/10

 Times Cited Count:15 Percentile:45.43(Chemistry, Multidisciplinary)

no abstracts in English

Journal Articles

Thermal expansion of a Au-Al-Yb intermediate valence quasicrystal

Watanuki, Tetsu; Kashimoto, Shiro*; Ishimasa, Tsutomu*; Machida, Akihiko; Yamamoto, Shin*; Tanaka, Yukinori*; Mizumaki, Masaichiro*; Kawamura, Naomi*; Watanabe, Shinji*

Solid State Communications, 211, p.19 - 22, 2015/06

 Times Cited Count:3 Percentile:79.82(Physics, Condensed Matter)

The thermal expansion of a Au-Al-Yb intermediate-valence quasicrystal has been studied by X-ray diffraction measurements. We have found anomalous thermal expansion behavior, namely zero thermal expansion below 50 K. By comparison with an isostructural Au-Al-Tm quasicrystal, the contribution of the Yb valence variation was extracted, and it was shown that its negative thermal expansion component due to the valence shift toward the divalent state by cooling compensated for the positive thermal expansion of the original lattice.

Journal Articles

New PbTiO$$_{3}$$-type giant tetragonal compound Bi$$_{2}$$ZnVO$$_{6}$$ and its stability under pressure

Yu, R.*; Hojo, Hajime*; Oka, Kengo*; Watanuki, Tetsu; Machida, Akihiko; Shimizu, Keisuke*; Nakano, Kiho*; Azuma, Masaki*

Chemistry of Materials, 27(6), p.2012 - 2017, 2015/03

 Times Cited Count:18 Percentile:35.73(Chemistry, Physical)

no abstracts in English

Journal Articles

Hydrogenation of a TiFe-based alloy at high pressures and temperatures

Endo, Naruki*; Saita, Itoko*; Nakamura, Yumiko*; Saito, Hiroyuki; Machida, Akihiko

International Journal of Hydrogen Energy, 40(8), p.3283 - 3287, 2015/03

 Times Cited Count:10 Percentile:63.58(Chemistry, Physical)

Journal Articles

Observation of transient structural changes on hydrogen absorption process of LaNi$$_{4.75}$$Sn$$_{0.25}$$ by time resolved X-ray diffraction

Machida, Akihiko; Higuchi, Kensuke*; Katayama, Yoshinori; Sakaki, Koji*; Kim, H.*; Nakamura, Yumiko*

Nippon Kinzoku Gakkai-Shi, 79(3), p.124 - 130, 2015/03

 Times Cited Count:4 Percentile:66.57(Metallurgy & Metallurgical Engineering)

Structural changes on hydrogen absorption process of hydrogen absorbing alloy LaNi$$_{4.75}$$Sn$$_{0.25}$$ have been investigated by time-resolved X-ray diffraction measurements using synchrotron radiation source. We have found the transient intermediate phase between the solid solution and hydride phases of LaNi$$_{4.75}$$Sn$$_{0.25}$$ under non-equilibrium hydrogen pressure condition at room temperature. LaNi$$_{4.75}$$Sn$$_{0.25}$$ has transformed into the hydride through three phase co-existing state. The hydrogen content of the intermediate phase estimated from the unit cell volume is independent of the induced hydrogen gas pressure. The variation of lattice constants indicate that the hydrogen atoms are located at the La$$_{2}$$Ni$$_{2}$$(Ni,Sn)$$_{2}$$ octahedron and La$$_{2}$$(Ni,Sn)$$_{2}$$ tetrahedron in the intermediate phase.

Journal Articles

Compositional dependence of hydrogenation properties in Ti$$_{1+y}$$(Fe$$_{1-x}$$Mn$$_{x}$$)$$_{1-y}$$ ($$0.2 leq x leq 0.5$$, $$0 leq y leq 0.08$$)

Sakaki, Koji*; Kim, H.*; Machida, Akihiko; Watanuki, Tetsu; Nakamura, Yumiko*

Nippon Kinzoku Gakkai-Shi, 79(3), p.112 - 117, 2015/03

 Times Cited Count:0 Percentile:100(Metallurgy & Metallurgical Engineering)

no abstracts in English

Journal Articles

Effect of a quenching rate on hydrogen storage properties of V$$_{0.79}$$Ti$$_{0.2}$$Zr$$_{0.01}$$

Kim, H.*; Sakaki, Koji*; Asano, Kota*; Ikeda, Kazutaka*; Otomo, Toshiya*; Machida, Akihiko; Watanuki, Tetsu; Nakamura, Yumiko*

Nippon Kinzoku Gakkai-Shi, 79(3), p.131 - 136, 2015/03

 Times Cited Count:0 Percentile:100(Metallurgy & Metallurgical Engineering)

no abstracts in English

Journal Articles

Phase diagram of the Eu-H system at high temperatures and high hydrogen pressures

Saito, Hiroyuki; Machida, Akihiko; Matsuoka, Takehiro*; Aoki, Katsutoshi*

Solid State Communications, 205, p.24 - 27, 2015/03

 Times Cited Count:4 Percentile:73.73(Physics, Condensed Matter)

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.

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