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Journal Articles

Hydrogen-accelerated spontaneous microcracking in high-strength aluminium alloys

Tsuru, Tomohito; Shimizu, Kazuyuki*; Yamaguchi, Masatake; Itakura, Mitsuhiro; Ebihara, Kenichi; Bendo, A.*; Matsuda, Kenji*; Toda, Hiroyuki*

Scientific Reports (Internet), 10, p.1998_1 - 1998_8, 2020/04

Age-hardening has been one and only process to achieve high strength aluminum alloys since unlike iron and titanium, pure aluminum does not have other solid phases during heat treatment. Highly-concentrated precipitations play therefore dominant role in mechanical properties and hydrogen embrittlement of aluminium alloys. It has been considered that the coherent interface between matrix and precipitation does not contribute to the crack initiation and embrittlement due to its coherency. Here, we discovered the origin of unprecedented quasi-cleavage fracture mode. Hydrogen partitioning at various defect sites is investigated comprehensively combined with experiment, theory and first-principles calculations. We demonstrate that despite low excess free volume, the aluminum-precipitation interface is more preferable trap site than void and grain boundary. The cohesivity of the interface deteriorates significantly with increasing occupancy while hydrogen atoms are trapped stably up to extremely high occupancy equivalent to spontaneous cleavage.

Journal Articles

Stable structure of hydrogen atoms trapped in tungsten divacancy

Osawa, Kazuhito*; Toyama, Takeshi*; Hatano, Yuji*; Yamaguchi, Masatake; Watanabe, Hideo*

Journal of Nuclear Materials, 527, p.151825_1 - 151825_7, 2019/12

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

no abstracts in English

Journal Articles

An Unreported precipitate orientation relationship in Al-Zn-Mg based alloys

Bendo, A.*; Matsuda, Kenji*; Lervik, A.*; Tsuru, Tomohito; Nishimura, Katsuhiko*; Nunomura, Norio*; Holmestad, R.*; Marioara, C. D.*; Shimizu, Kazuyuki*; Toda, Hiroyuki*; et al.

Materials Characterization, 158, p.109958_1 - 109958_7, 2019/12

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

Characterization of precipitates in Al-Zn-Mg alloys, using a combination of electron diffraction, bright field transmission electron microscopy and atomic scale scanning transmission electron microscopy imaging revealed the presence of an unreported $$eta$$$$_{13}$$ orientation relationship between the $$eta$$-MgZn$$_2$$ phase and the Al lattice with the following orientation relationship (0001)$$eta$$ $$||$$ (120)$$_{rm Al}$$ and ($$2bar{1}bar{1}0$$)$$eta$$ $$||$$ (001)$$_{rm Al}$$, plate on (120)$$_{rm Al}$$. The precipitate interfaces were observed and analyzed along two projections 90$$^{circ}$$ to one-another. The precipitate coarsening was through the common thickening ledge mechanism. The ledges were significantly stepped along one lateral direction. An interface relaxation model using density functional theory was carried out to explain the precipitate behavior.

Journal Articles

Characterisation of structural similarities of precipitates in Mg-Zn and Al-Zn-Mg alloys systems

Bendo, A.*; Maeda, Tomoyoshi*; Matsuda, Kenji*; Lervik, A.*; Holmestad, R.*; Marioara, C. D.*; Nishimura, Katsuhiko*; Nunomura, Norio*; Toda, Hiroyuki*; Yamaguchi, Masatake; et al.

Philosophical Magazine, 99(21), p.2619 - 2635, 2019/07

 Times Cited Count:5 Percentile:15.15(Materials Science, Multidisciplinary)

Journal Articles

Abnormally enhanced diamagnetism in Al-Zn-Mg alloys

Nishimura, Katsuhiko*; Matsuda, Kenji*; Lee, S.*; Nunomura, Norio*; Shimano, Tomoki*; Bendo, A.*; Watanabe, Katsumi*; Tsuchiya, Taiki*; Namiki, Takahiro*; Toda, Hiroyuki*; et al.

Journal of Alloys and Compounds, 774, p.405 - 409, 2019/02

 Times Cited Count:1 Percentile:60.52(Chemistry, Physical)

Journal Articles

Optimization of mechanical properties in aluminum alloys $$via$$ hydrogen partitioning control

Toda, Hiroyuki*; Yamaguchi, Masatake; Matsuda, Kenji*; Shimizu, Kazuyuki*; Hirayama, Kyosuke*; Su, H.*; Fujiwara, Hiro*; Ebihara, Kenichi; Itakura, Mitsuhiro; Tsuru, Tomohito; et al.

Tetsu To Hagane, 105(2), p.240 - 253, 2019/02

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

no abstracts in English

Journal Articles

First-principles calculation of multiple hydrogen segregation along aluminum grain boundaries

Yamaguchi, Masatake; Ebihara, Kenichi; Itakura, Mitsuhiro; Tsuru, Tomohito; Matsuda, Kenji*; Toda, Hiroyuki*

Computational Materials Science, 156, p.368 - 375, 2019/01

 Times Cited Count:5 Percentile:25.11(Materials Science, Multidisciplinary)

The segregation of multiple hydrogen atoms along aluminum (Al) grain boundaries (GBs) and fracture surfaces (FSs) was investigated through first-principles calculations considering the characteristics of GBs. The results indicate that hydrogen segregation is difficult along low-energy GBs. The segregation energy of multiple hydrogen atoms along GBs and FSs and the cohesive energy was obtained for three types of high-energy Al GBs. With increasing hydrogen segregation along the GBs, the cohesive energy of the GB decreases and approaches zero with no decrease in GB segregation energy. The GB cohesive energy decreases in parallel with the volume expansion of the region of low electron density along the GB.

Journal Articles

Surface energy reduction by dissociative hydrogen adsorption on inner surface of pore in aluminum

Yamaguchi, Masatake; Tsuru, Tomohito; Ebihara, Kenichi; Itakura, Mitsuhiro

Keikinzoku, 68(11), p.588 - 595, 2018/11

no abstracts in English

Journal Articles

Interpretation of thermal desorption spectra of hydrogen from aluminum using numerical simulation

Ebihara, Kenichi; Yamaguchi, Masatake; Tsuru, Tomohito; Itakura, Mitsuhiro

Keikinzoku, 68(11), p.596 - 602, 2018/11

Hydrogen embrittlement (HE) is considered as one cause of stress corrosion cracking. HE is a serious problem in the development of high strength aluminum alloy as with steels. For understanding HE, it is inevitable to know hydrogen trapping states in the alloys and it can be identified using thermal desorption spectrometry of H. In this study, we numerically simulated thermal desorption spectra of hydrogen in aluminum for a cylindrical and a plate specimens and interpreted the desorption peaks included in them on the basis of the trap site concentration and the trap energy. As a result, we found that the peak at the lowest-temperature side can result from grain boundaries and confirmed that the reported interpretation for other peaks is reasonable. We also obtained the result showing the possibility that the trap site concentration of defects changes during heating the specimens. This result may give a suggestion for the interpretation of temperature desorption spectra of steels.

Journal Articles

Microstructure evolution in a hydrogen charged and aged Al-Zn-Mg alloy

Bendo, A.*; Matsuda, Kenji*; Lee, S.*; Nishimura, Katsuhiko*; Toda, Hiroyuki*; Shimizu, Kazuyuki*; Tsuru, Tomohito; Yamaguchi, Masatake

Materialia, 3, p.50 - 56, 2018/11

Journal Articles

First-principles study of hydrogen segregation at the MgZn$$_{2}$$ precipitate in Al-Mg-Zn alloys

Tsuru, Tomohito; Yamaguchi, Masatake; Ebihara, Kenichi; Itakura, Mitsuhiro; Shiihara, Yoshinori*; Matsuda, Kenji*; Toda, Hiroyuki*

Computational Materials Science, 148, p.301 - 306, 2018/06

 Times Cited Count:10 Percentile:28.09(Materials Science, Multidisciplinary)

Hydrogen embrittlement susceptibility of high strength 7xxx series Al alloys has been recognized as the critical issues in the practical use of Al alloys. Focusing on the interface between MgZn$$_{2}$$ precipitates and an Al matrix, which is considered as one of the important segregation sites in these alloys, we investigated the stable $$eta$$-MgZn$$_{2}$$-Al interface, and the possible hydrogen trap sites in MgZn$$_{2}$$ and at the $$eta$$-MgZn$$_{2}$$-Al interface via first-principles calculation. Most of the interstitial sites inside the MgZn$$_{2}$$ crystal were not possible trap sites because their energy is relatively higher than that of other trap sites. The trap energy of the most favorable site at the $$eta$$-MgZn$$_{2}$$-Al is approximately -0.3 eV/H, which is more stable that of the interstitial site at the grain boundary. The interface between MgZn$$_{2}$$ and Al is likely to be a possible trap site in Al alloys.

Journal Articles

Journal Articles

FCC metal-like deformation behaviour of Ir$$_3$$Nb with the L1$$_2$$ structure

Okamoto, Norihiko*; Takemoto, Shohei*; Chen, Z. M. T.*; Yamaguchi, Masatake; Inui, Haruyuki*

International Journal of Plasticity, 97, p.145 - 158, 2017/10

 Times Cited Count:1 Percentile:84.43(Engineering, Mechanical)

Journal Articles

First-principles study on the slip behavior of magnesium alloys

Yamaguchi, Masatake

Materia, 56(8), p.480 - 483, 2017/08

no abstracts in English

Journal Articles

Embrittlement without hardening; Grain boundary embrittlement

Yamaguchi, Masatake

NEA/NSC/R(2016)5 (Internet), p.303 - 316, 2017/05

no abstracts in English

Journal Articles

Modeling of Phosphorus Transport by Interstitial Dumbbell in $$alpha$$-Iron Using First-Principles-Based Kinetic Monte Carlo

Ebihara, Kenichi; Suzudo, Tomoaki; Yamaguchi, Masatake

Materials Transactions, 58(1), p.26 - 32, 2017/01

 Times Cited Count:3 Percentile:64.77(Materials Science, Multidisciplinary)

In order to evaluate grain boundary (GB) phosphorous (P) segregation in nuclear reactor pressure vessel steels under irradiation, the rate-theory model based on first-principles calculations is developed. In this study, we evaluated the diffusion coefficient of the mixed interstitial dumbbell of a P atom and an iron(Fe) atom using a kinetic Monte Carlo (kMC) simulation based on first-principles calculations. The evaluated diffusion coefficient was almost the same with the diffusion coefficient of P atoms which migrate via octahedral interstitial sites, and was much faster than that for P transport by vacancies. Furthermore, from the simulation of the irradiation induced GB P segregation using the model which was modified to include P atoms of octahedral interstitial sites, it was found that the boundary condition at GB is not valid for P atoms of octahedral interstitial sites

Journal Articles

Analysis of intergranular cracking in an alloy steel by hydrogen-enhanced decohesion

Yamaguchi, Masatake; Ebihara, Kenichi; Itakura, Mitsuhiro

Proceedings of 2016 International Hydrogen Conference (IHC 2016); Materials Performance in Hydrogen Environments, p.563 - 571, 2017/00

no abstracts in English

Journal Articles

Novel cross-slip mechanism of pyramidal screw dislocations in magnesium

Itakura, Mitsuhiro; Kaburaki, Hideo; Yamaguchi, Masatake; Tsuru, Tomohito

Physical Review Letters, 116(22), p.225501_1 - 225501_5, 2016/06

 Times Cited Count:21 Percentile:13.51(Physics, Multidisciplinary)

Dislocations in close packed metals usually dissociate into a planar shape and their slip is confined in the corresponding slip planes. Cross-slip usually requires transformation of the planar dislocation core into a perfect dislocations, which requires high activation energy. Using an extensive DFT calculations, we have found a notable exception to this conventional view. The pyramidal $$<$$c+a$$>$$ screw dislocation in Mg consists of two partial dislocations connected by a stacking fault, and the stacking fault can migrate perpendicular to the plane by atom shuffling, enabling the dislocation to cross-slip without transforming into a perfect dislocation.

Journal Articles

Effect of aluminum or zinc solute addition on enhancing impact fracture toughness in Mg-Ca alloys

Hase, Takayuki*; Otagaki, Tatsuya*; Yamaguchi, Masatake; Ikeo, Naoko*; Mukai, Toshiji*

Acta Materialia, 104, p.283 - 294, 2016/02

 Times Cited Count:21 Percentile:12.56(Materials Science, Multidisciplinary)

We measured the impact toughness of three alloys (Mg, Mg-0.3 at.% Ca-0.6 at.% Zn, and Mg-0.3 at.% Ca-0.6 at.% Al) by the impact three-point bending test. The plastic deformability and impact toughness were higher in the ternary alloys than in pure Mg. The generalized stacking fault energy and grain boundary cohesive energy were estimated by first-principles calculations for Mg, binary Mg-Ca, ternary Mg-Ca-Zn, and ternary Mg-Ca-Al alloys. The calculation results agreed with the trend in the experimental results. We suggest that addition of Ca along with Zn or Al reduced plastic anisotropy and strengthened the grain boundaries, leading to higher in impact toughness of Mg alloys.

Journal Articles

Migration of rhenium and osmium interstitials in tungsten

Suzudo, Tomoaki; Yamaguchi, Masatake; Hasegawa, Akira*

Journal of Nuclear Materials, 467(Part 1), p.418 - 423, 2015/12

AA2015-0099.pdf:0.62MB

 Times Cited Count:27 Percentile:2.69(Materials Science, Multidisciplinary)

Tungsten is expected to be a promising plasma-facing material for future fusion devices, but radiation-induced precipitation (RIP), which leads the material to hardening, is a concern at their practical use. One of the keys to accurate prediction of the emergence of RIP is migration of solute atoms, rhenium and osmium, that are produced by nuclear transmutation through irradiation. We conduct a series of numerical simulations using an atomic kinetic Monte Carlo method and investigate the migration of these solute atoms in the form of tungsten-rhenium and tungsten-osmium mixed dumbbells, considered to be the most efficient "carriers" of the solute atoms. We find that the low rotation energy barrier of these mixed dumbbells leading to three-dimensional migration greatly influences their diffusivities. The result also suggests that, although these dumbbells have three-dimensional motion, one cannot simply reduce their migration behavior to that of vacancy-like spherical objects.

227 (Records 1-20 displayed on this page)