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(Al, Zn)
Approximant crystal; Influence of chemical disorder清水 一行*; 山口 正剛; 赤丸 悟士*; 西村 克彦*; 阿部 李音*; 佐々木 泰祐*; Wang, Y.*; 戸田 裕之*
Scripta Materialia, 265, p.116730_1 - 116730_7, 2025/08
被引用回数：0The approximant crystal Mg(Al, Zn) (T-phase in Al-Zn-Mg alloys) holds the potential for enhancing both strength and hydrogen embrittlement resistance in aluminum alloys when present as nano-precipitates. Our previous computational exploration indicated strong hydrogen trapping but neglected the inherent chemical disorder of this approximant crystal. This study revisits hydrogen trapping in Mg(Al, Zn), directly including chemical disorder via special quasirandom structures. Density functional theory calculations reveal that, while chemical disorder introduces variations in trapping energies, the overall trend of strong trapping persists. Tetrahedral sites coordinated by Mg atoms exhibit particularly strong trapping, with smaller tetrahedral volumes correlating with stronger trapping due to enhanced Mg-H interactions. Multiple hydrogen occupation of these sites is also calculated, resulting in high hydrogen densities. Experimental validation using thermal desorption spectroscopy on a bulk Mg(Al, Zn) sample confirms hydrogen trapping, reinforcing the potential of this phase for designing advanced, hydrogen-resistant aluminum alloys.
Lin, Z. M.*; Liu, B. X.*; Ming, K. S.*; 徐 平光; Yin, F. X.*; Zheng, S. J.*
Scripta Materialia, 263, p.116692_1 - 116692_7, 2025/07
被引用回数：0 パーセンタイル：0.00(Nanoscience & Nanotechnology)Complementary layer thickness effects on strength and plasticity in Q235 and SUS304 steels provide a novel strategy to realize high strength and high plasticity of heterogeneous Q235/SUS304 multilayered steel. In this work, the tensile deformation behaviors and fracture characteristics of vacuum hot-rolled Q235/SUS304 multilayered steel with various layer thicknesses ranging from 223 
m to 5 m were deeply investigated. The tensile strength improved with the reduction of layer thickness, and the uniform elongation were first increasing and then decreasing with the decrease of layer thickness, and the peak value appeared at the layer thickness of 20 m. Interestingly, the fracture elongation forms a high plateau value within the 10
20 m range. Further analysis reveals that the severe strain localization in the brittle SUS304 thin layers is delayed by the ductile Q235 layers, which is mainly attributed to the different texture evolution and dislocation configuration characteristics during tensile deformation.
Mao, W.*; Gong, W.; 川崎 卓郎; Gao, S.*; 伊東 達矢; 山下 享介*; Harjo, S.; Zhao, L.*; Wang, Q.*
Scripta Materialia, 264, p.116726_1 - 116726_6, 2025/07
被引用回数：0An ultrafine-grained 304 austenitic stainless steel exhibited pronounced serrated Luders deformation at 20 K, with stress and temperature oscillations reaching 200 MPa and 20 K. 
neutron diffraction and digital image correlation revealed discontinuous Luders band propagation and burst martensite formation. During deformation, austenite phase stress remained lower than at upper yielding, indicating elastic behavior. Notably, martensite phase stress stayed lower than austenite until fracture, likely due to stress relaxation from burst martensitic transformation at 20 K. The low martensite stress delayed brittle fracture until austenite plastically yielded during uniform deformation.
山口 正剛; 海老原 健一; 板倉 充洋; 都留 智仁
Scripta Materialia, 255, p.116366_1 - 116366_5, 2025/01
被引用回数：0 パーセンタイル：0.00(Nanoscience & Nanotechnology)鉄鋼やアルミニウム合金の粒界破壊の原因候補の一つとして水素がもたらす粒界凝集エネルギー低下が考えられている。最近はそれに対する粒界偏析元素の影響が第一原理計算により調べられているが、粒界凝集エネルギーを定量的に評価した研究はない。本研究では、第一原理計算結果を利用した定量的評価手法について述べ、いくつかのテスト計算の例を示す。
Ying, H.*; Yang, X.*; He, H.*; Yan, A.*; An, K.*; Ke, Y.*; Wu, Z.*; Tang, S.*; Zhang, Z.*; Dong, H.*; et al.
Scripta Materialia, 250, p.116181_1 - 116181_7, 2024/09
被引用回数：1 パーセンタイル：41.92(Nanoscience & Nanotechnology)Nanoscale chemical fluctuations and their effect on the deformation behavior of CrFeCoNi-based high-entropy alloys (HEAs) were investigated using small-angle scattering and in situ neutron diffraction measurements. Small-angle scattering results demonstrated the presence of nano (
10 nm) chemical fluctuations in the as-prepared CrFeCoNiPd HEAs, which was attributed to the negative mixing of enthalpy and the significant atomic radius difference between Pd and the constituent elements in the CrFeCoNi-based alloys. Subsequent tensile tests demonstrated that the yield and tensile strengths of the as-prepared CrFeCoNiPd HEA surpass those of the as-prepared CrMnFeCoNi HEA. Neutron diffraction data analysis revealed an anomalous response of dislocation evolution with the strain.
Fang, W.*; Liu, C.*; Zhang, J.*; 徐 平光; Peng, T.*; Liu, B.*; 諸岡 聡; Yin, F.*
Scripta Materialia, 249, p.116046_1 - 116046_6, 2024/08
被引用回数：2 パーセンタイル：63.37(Nanoscience & Nanotechnology)The influence of interstitial carbon on the texture evolution of high-entropy alloys during cold rolling was investigated. To prevent carbide formation, elements with weak carbon affinity were carefully selected in the (FeMnCoNi)
C
alloy. Neutron diffraction, electron channeling contrast imaging, and electron backscatter diffraction were used to analyze the texture and microstructure evolution in alloys with and without carbon addition. Though their texture components are similar at the early stage of deformation, the Brass and Goss textures in the carbon-containing alloy at 50% cold rolling reduction are obviously higher than those in the carbon-free alloy, while Copper and S textures are lower. A large number of deformation twins induced in the carbon containing alloy is attributed as the significant reason for the texture differences. This work helps to understand the impact of interstitial carbon on the texture evolution of high-entropy alloys, providing valuable insights for microstructure and performance optimization.
染川 英俊*; 都留 智仁; 内藤 公喜*; Singh, A.*
Scripta Materialia, 249, p.116173_1 - 116173_6, 2024/08
被引用回数：2 パーセンタイル：41.92(Nanoscience & Nanotechnology)Mg二元合金の
双晶境界に偏析した双晶境界は、転位滑りを阻害する役割を果たすため硬度の増加に寄与する。本研究では、合金元素添加による双晶境界の移動度の影響を実験と計算によって評価した。その結果、内部摩擦試験により、溶質元素に関係なく、誘起された双晶境界は可逆的な動き、つまり成長と収縮のため、減衰能力を高めるのに効果的であることが明らかになった。対照的に、双晶境界偏析のある試験片とない試験片の損失係数を比較すると、偏析は減衰能力の低下につながることがわかった。双晶境界の滑りが発生するために必要なエネルギー障壁は、損失係数と密接に関係していることを示した。
Mn清水 一行*; 西村 克彦*; 松田 健二*; 赤丸 悟士*; 布村 紀男*; 並木 孝洋*; 土屋 大樹*; Lee, S.*; 髭本 亘; 都留 智仁; et al.
Scripta Materialia, 245, p.116051_1 - 116051_6, 2024/05
被引用回数：2 パーセンタイル：63.37(Nanoscience & Nanotechnology)質量ppmレベルの水素は金属材料の水素脆化を引き起こすが、水素の捕獲部位を実験的に解明することは極めて困難である。我々は、正ミュオンが水素の軽い同位体として作用することを利用して、物質中の水素の捕獲状態を研究した。ゼロ磁場ミュオンスピン緩和実験と密度汎関数理論(DFT)計算をAlMnに対して行った。AlMnにおける水素のDFT計算の結果、4つの水素トラップサイトが見つかり、その水素トラップエネルギーはeV/atom単位で0.168(サイト1), 0.312(サイト2), 0.364(サイト3), 0.495(サイト4)であった。推定された双極子磁場幅の温度変化(
)は、94, 193, 236Kでステップ状の変化を示した。サイト密度を考慮すると、観測されたの変化温度は、サイト1, 3, 4にミュオンがトラップされたものと解釈される。
Tang, J.*; Wang, Y.*; 藤原 比呂*; 清水 一行*; 平山 恭介*; 海老原 健一; 竹内 晃久*; 上椙 真之*; 戸田 裕之*
Scripta Materialia, 239, p.115804_1 - 115804_5, 2024/01
被引用回数：11 パーセンタイル：82.25(Nanoscience & Nanotechnology)Al-Zn-Mg-Cu合金の外部および内部水素(H)の組合せによって誘起される応力腐食割れ(SCC)の挙動をその場3次元評価技術を使い系統的に調べた。Al-Zn-Mg-Cu合金のSCCは水素濃度が臨界値を超える潜在的なクラック発生領域で発生・進展し、Hがナノスケール
-MgZn
析出物界面での原子結合を弱め巨視的な割れを引き起こしていることが分かった。さらに、水環境からき裂へ浸透した外部Hが、き裂先端近傍に勾配を持つH影響ゾーンを作ることでSCCにおいて重要な役割を果たすことや、あらかじめ存在する内部Hが、塑性変形に伴いき裂先端に向かうことでSCCにおけるき裂の発生と進展の両方に関与することも分かった。
段野下 宙志*; 長谷川 寛*; 樋口 翔*; 松田 広志*; Gong, W.; 川崎 卓郎; Harjo, S.; 梅澤 修*
Scripta Materialia, 236, p.115648_1 - 115648_5, 2023/11
被引用回数：3 パーセンタイル：25.24(Nanoscience & Nanotechnology)Work-hardening behavior of a lath martensitic Fe-18Ni alloy during tensile deformation is discussed based on the Taylor's equation. The dislocation characteristics are monitored using in situ neutron diffraction. In the specimens of as-quenched (AQ) and tempered at 573 K (T573), the dislocations are extremely dense and randomly arranged. The dislocations in AQ and T573 form dislocation cells as deformation progresses. Consequently, a composite condition comprising cell walls and cell interiors is formed, and the coefficient 
in the Taylor's equation increases. Cells are already present in the specimen tempered at 773 K (T773), which has a low dislocation density and a large fraction of edge-type dislocations. As deformation continues, the dislocation density of T773 increases, its cell size decreases, and its composite condition become stronger. Simultaneously, the edge-type dislocation fraction decreases, keeping unchanged. Thus, both the dislocation arrangement and character affected , thereby affecting the work-hardening behavior.
ders band deformation in an ultrafine grain stainless steel by combining 
neutron diffraction and digital image correlation analysisMao, W.; Gao, S.*; Gong, W.; Harjo, S.; 川崎 卓郎; 辻 伸泰*
Scripta Materialia, 235, p.115642_1 - 115642_6, 2023/10
被引用回数：14 パーセンタイル：86.59(Nanoscience & Nanotechnology)本研究では、巨大なリューダースバンド変形を示す超微細粒(UFG)ステンレス鋼の引張その場中性子回折とデジタル画像相関測定を行い、バンド伝播中の歪硬化に対するオーステナイト母相と変形誘起マルテンサイトの個々の寄与を評価した。定量的解析の結果、UFG構造によって流動応力が大幅に増加した場合、オーステナイト母相のひずみ硬化は均一な変形を維持するには不十分であることがわかった。リューダースバンドの伝播に必要なひずみ硬化は、マルテンサイトの形成とその内部の高い内部応力によってもたらされた。
neutron diffraction studyGong, W.; 川崎 卓郎; Zheng, R.*; 眞山 剛*; Sun, B.*; 相澤 一也; Harjo, S.; 辻 伸泰*
Scripta Materialia, 225, p.115161_1 - 115161_5, 2023/03
被引用回数：9 パーセンタイル：59.81(Nanoscience & Nanotechnology)Deformation behavior during uniaxial compression at 21 K and 298 K in a commercial AZ31 magnesium alloy was studied by neutron diffraction. Decreasing the deformation temperature resulted in a slight increase in yield stress (115 MPa 
139 MPa), but a remarkable enhancement in both the fracture stress (365 MPa 551 MPa) and fracture strain (12.8% 16.5%). The low temperature sensitivity of the {10
2} extension twinning which governed the macroscopic yielding led to the slight increase in yield stress. At 21K, basal slip was suppressed, while the extension twinning was promoted resulted in higher twin volume fraction. In the late stage of deformation, the {101}-{102} double twinning was suppressed, which is considered to be the reason to delay the fracture at 21 K.
土田 紀之*; 上路 林太郎*; Gong, W.; 川崎 卓郎; Harjo, S.
Scripta Materialia, 222, p.115002_1 - 115002_6, 2023/01
被引用回数：8 パーセンタイル：55.35(Nanoscience & Nanotechnology)The present study investigated the tensile deformation behavior of quenched and tempered martensite steels at various austenitization and tempering temperatures using in situ neutron diffraction experiments. Phase lattice strains in the bcc and cementite (
) phases and dislocation structures in the bcc phase were analyzed. The phase lattice strain in bcc became almost stagnant after yielding as the tempering temperature increased. The phase lattice strain in increased linearly with an increase in the flow stress, independent of the austenitization and tempering temperatures. The stress partitioning between bcc and was confirmed after the yielding of bcc, which contributed to the work hardening. The phase stresses of bcc and and their stress partitioning improve the mechanical properties of martensite steels, which can be summarized by the systematic changes in phase lattice strain and dislocation properties due to the austenitization and tempering temperatures.
Wei, D.*; Gong, W.; 川崎 卓郎; Harjo, S.; 加藤 秀実*
Scripta Materialia, 216, p.114738_1 - 114738_6, 2022/07
被引用回数：50 パーセンタイル：97.92(Nanoscience & Nanotechnology)Near-equiatomic single-phase twining-induced plasticity (TWIP) high-entropy alloys (HEAs) exhibit a good combination of strength and ductility, but their modest yield strength requires further improvement. Here, we propose a strategy for markedly enhancing their strength while retaining satisfactory ductility, taking advantage of the temperature dependence of the stacking fault energy. The room-temperature strength of a representative TWIP HEA was improved by the cryogenic pre-deformation-induced dislocations, martensite, nanotwins, and stacking faults. The tensile properties were further tuned by subsequent annealing to obtain partially recovered or recrystallized microstructures. The influence of regulated microstructures on the yield strength was clarified by neutron diffraction line profile analysis. This study presents possibilities for fabricating advanced HEAs by tuning the substructures.
Luo, M.-Y.*; Lam, T.-N.*; Wang, P.-T.*; Tsou, N.-T.*; Chang, Y.-J.*; Feng, R.*; 川崎 卓郎; Harjo, S.; Liaw, P. K.*; Yeh, A.-C.*; et al.
Scripta Materialia, 210, p.114459_1 - 114459_7, 2022/03
被引用回数：23 パーセンタイル：88.92(Nanoscience & Nanotechnology)The effect of grain size on strain-controlled low-cycle fatigue (LCF) properties in the CoCrFeMnNi high-entropy alloys (HEAs) was investigated towards the distinct microstructural developments during cyclic loading at a strain amplitude of 
1.0%. A much more prominent secondary cyclic hardening (SCH) behavior at the final deformation stage was observed in the fine-grained (FG) than in the coarse-grained (CG) CoCrFeMnNi. In-situ neutron-diffraction and microscopic examination, strongly corroborated by molecular dynamic (MD) simulations, indicated that dislocation activities from planar slip to wavy slip-driven subgrain structures within the grains acted as the primary cyclic-deformation behaviors in the FG CoCrFeMnNi. Differently observed in the cyclic behavior of the CG CoCrFeMnNi was due to a transition from the planar dislocation slip to twinning.
椎原 良典*; 金澤 良亮*; 松中 大介*; Lobzenko, I.; 都留 智仁; 香山 正憲*; 森 英喜*
Scripta Materialia, 207, p.114268_1 - 114268_4, 2022/01
被引用回数：24 パーセンタイル：79.97(Nanoscience & Nanotechnology)本研究では、最新の人工ニューラルネットワーク(ANN)ポテンシャルに基づく分子力学を使用した鉄中の46種類の対称傾角粒界の粒界(GB)エネルギーを評価した。粒界エネルギー計算の精度の検証のため、密度汎関数理論(DFT)に基づく第一原理計算、および古典的な経験ポテンシャルである、埋め込み原子法(EAM)、および修正EAM(MEAM)との比較を行った。その結果、EAMとMEAMはDFTの結果(平均約27%)とは大きく異なっていた一方、ANNポテンシャルによる結果はDFTの結果(平均5%)と非常によく一致していることを確認した。GBの一軸引張計算では、EAMとMEAMにおける延性挙動のアーティファクトが改善され、ANNポテンシャルではDFTで観察されたGBの脆性破壊傾向を再現した。これらの結果は、需要の高い鉄におけるANNポテンシャルの有効性を示している。
Naeem, M.*; He, H.*; Harjo, S.; 川崎 卓郎; Zhang, F.*; Wang, B.*; Lan, S.*; Wu, Z.*; Wu, Y.*; Lu, Z.*; et al.
Scripta Materialia, 188, p.21 - 25, 2020/11
被引用回数：89 パーセンタイル：98.25(Nanoscience & Nanotechnology)The deformation behavior of CrMnFeCoNi high entropy alloy was investigated by in situ neutron diffraction at an ultralow temperature of 15 K. Analysis of the diffraction peak widths showed an extremely high dislocation density at 15 K, reaching 10
m
. In addition, the dislocation density was found to closely follow the development of texture caused by deformation. In contrast to deformation by dislocation slip at room temperature, the ultralow-temperature deformation also involved stacking faults, twinning and serrations. The deformation pathway at ultralow temperature is outlined which is responsible for the extraordinary strength-ductility combination.
山下 享介; 諸岡 聡; Harjo, S.; 川崎 卓郎; 古賀 紀光*; 梅澤 修*
Scripta Materialia, 177, p.6 - 10, 2020/03
被引用回数：36 パーセンタイル：87.01(Nanoscience & Nanotechnology) neutron diffraction measurements during tensile tests at low temperatures of a low alloy steel containing retained austenite have been performed. Evolutions of phase fractions and phase stresses were analyzed and discussed with the progress of deformation. The role of austenite in the steel during deformation at low temperatures was observed not to directly in the contribution to the strengths but in the improvement of the elongation by transformation of austenite to martensite -and in the increasing of the work-hardening rate by an increase in the phase fraction of martensite and the work hardening of martensite.
113 deformation twinning in metastable 
-type Ti alloy focusing on stress-induced 
martensite phaseCho, K.*; 森岡 亮太*; Harjo, S.; 川崎 卓郎; 安田 弘行*
Scripta Materialia, 177, p.106 - 111, 2020/03
被引用回数：59 パーセンタイル：94.70(Nanoscience & Nanotechnology)Deformation behavior of Ti-12Mo alloy which is primarily deformed by {332}113 deformation twinning was studied by in situ neutron diffraction measurements and deformation structure analyses, focusing on the formation of stress-induced martensite phase. We directly observed for the first time that the phase was formed at the initial stage of the plastic deformation and the volume fraction of the phase increased with increasing plastic deformation. This stress-induced martensite phase acts as a nucleation site for the {332}113 twins. Further increase in stress results in a replacement of the phase by the {332}113 twins.
庄司 衛太*; 磯谷 祥世*; 鈴木 陸人*; 久保 正樹*; 塚田 隆夫*; 甲斐 哲也; 篠原 武尚; 松本 吉弘*; 福山 博之*
Scripta Materialia, 175, p.29 - 32, 2020/01
被引用回数：24 パーセンタイル：75.72(Nanoscience & Nanotechnology)The effect of melt convection on the phase separation structures in undercooled Cu- Co alloys was investigated using the electromagnetic levitation technique, where the melt convection was controlled by applying a static magnetic field. The three-dimensional phase separation structures of the solidified Cu-Co alloys were first observed using neutron computed tomography. A large number of small spherical Co-rich phases were dispersed in the Cu-rich phase matrix when the static magnetic field was relatively small. In contrast, several coalesced Co-rich phases, which were elongated along the direction of the static magnetic field, appeared in the higher strength of static magnetic field.
