Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
(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：0 パーセンタイル：0.00(Nanoscience & Nanotechnology)The 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.
Zheng, R.*; Gong, W.; 他6名*
Acta Materialia, 293, p.121098_1 - 121098_12, 2025/07
被引用回数：0 パーセンタイル：0.00(Materials Science, Multidisciplinary)Hall-Petch law fails when grains smaller than a critical size, due to grain boundary (GB) kinetics-dominated plasticity. To enhance strength, improving GB stability is a consideration. However, this often requires a significant amount of alloying elements, posing resource challenges. Additionally, practical fabrication of extremely fine grains is still an issue. In our study, we firstly demonstrate a remarkable hardening-by-annealing phenomenon in magnesium (Mg) with relatively large grain sizes of 0.2-0.5 
m, even with ultra-low yttrium (Y) addition. We reveal that annealing induces GB segregation/relaxation, effectively limiting the GB kinetics and promoting dislocation-dominated plasticity. Furthermore, the accompanying dislocation annihilation hinders deformation due to dislocation scarcity. As a result, we discovered extraordinary hardening in bulk ultrafine grained Mg-Y ultra-dilute alloy. This work offers a promising avenue for developing energy- and resource-efficient sustainable Mg alloys with superior mechanical properties.
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：0 パーセンタイル：0.00(Nanoscience & Nanotechnology)An 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.
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.
Park, M.-H.*; 柴田 曉伸*; Harjo, S.; 辻 伸泰*
Acta Materialia, 292, p.121061_1 - 121061_13, 2025/06
被引用回数：1 パーセンタイル：84.88(Materials Science, Multidisciplinary)Dual-phase (DP) steel, composed of soft ferrite and hard martensite, offers excellent strength-ductility balance and low cost. This study found that refining the DP microstructure enhanced both yield strength and strain hardening, improving strength and ductility. Digital image correlation (DIC) revealed strain localization in ferrite, but refinement reduced strain differences between ferrite and martensite, suppressing crack initiation. More ferrite/martensite interfaces promoted plasticity in martensite via enhanced deformation constraint. neutron diffraction showed martensite bore higher phase stress, which increased with refinement. By combining -DIC and neutron data, individual stress-strain curves for ferrite and martensite were constructed for the first time, explaining the strength-ductility synergy through interphase constraint. These findings offer guidance for designing heterostructured materials to overcome the strength-ductility trade-off.
Wang, Y.*; Gong, W.; Harjo, S.; 他7名*
Acta Materialia, 288, p.120840_1 - 120840_14, 2025/04
被引用回数：3 パーセンタイル：84.88(Materials Science, Multidisciplinary)Low yield strength and the presence of Luders bands constitute principal impediments to the extensive applications of conventional medium Mn steels with a duplex microstructure of ferrite and austenite. Flash heating and the concept of chemical heterogeneity have been combined to engineer a duplex austenite-martensite microstructure in medium Mn steels, which has proven effective in augmenting the yield strength and mitigating the occurrence of Luders bands. However, the underlying mechanisms remain ambiguous. In the present work, the effect of austenite stability on yielding behavior was systematically investigated in an austenite-martensite duplex medium Mn steel. Austenite stability was identified as the critical factor governing yield strength, where reduced stability promotes early stage deformation induced martensite transformation, thereby decreasing yield strength. Diminished austenite stability may as well induce enhanced work hardening, thereby result in the inclination and eventual elimination of yield plateau, concomitant with the disappearance of Luders bands. These observations expand our current understanding of the yielding behavior in medium Mn steels and offer insights for the design of other advanced high strength steels.
neutron diffraction study伊東 達矢; 小川 祐平*; Gong, W.; Mao, W.*; 川崎 卓郎; 岡田 和歩*; 柴田 曉伸*; Harjo, S.
Acta Materialia, 287, p.120767_1 - 120767_16, 2025/04
被引用回数：1 パーセンタイル：0.00(Materials Science, Multidisciplinary)Incorporating solute hydrogen into Fe-Cr-Ni-based austenitic stainless steels enhances both strength and ductility, providing a promising solution to hydrogen embrittlement by causing solid-solution strengthening and assisting deformation twinning. However, its impacts on the relevant lattice defects evolution (
, dislocations, stacking faults, and twins) during deformation remains unclear. This study compared the tensile deformation behavior in an Fe-24Cr-19Ni (mass%) austenitic steel with 7600 atom ppm hydrogen-charged (H-charged) and without hydrogen-charged (non-charged) using neutron diffraction. Hydrogen effects on the lattice expansion, solid-solution strengthening, stacking fault probability, stacking fault energy, dislocation density, and strain/stress for twin evolution were quantitatively evaluated to link them with the macroscale mechanical properties. The H-charged sample showed improvements in yield stress, flow stress, and uniform elongation, consistent with earlier findings. However, solute hydrogen exhibited minimal influences on the evolution of dislocation and stacking fault. This fact contradicts the previous reports on hydrogen-enhanced dislocation and stacking fault evolutions, the latter of which can be responsible for the enhancement of twinning. The strain for twin evolution was smaller in the H-charged sample compared to the non-charged one. Nevertheless, when evaluated as the onset stress for twin evolution, there was minimal change between the two samples. These findings suggest that the increase in flow stress due to the solid-solution strengthening by hydrogen is a root cause of accelerated deformation twinning at a smaller strain, leading to an enhanced work-hardening rate and improved uniform elongation.
吉田 周平*; Gong, W.; 他9名*
Acta Materialia, 283, p.120498_1 - 120498_15, 2025/01
被引用回数：3 パーセンタイル：57.76(Materials Science, Multidisciplinary)Face-centered cubic (FCC) high/medium entropy alloys (HEAs/MEAs), novel multi-principal element alloys, are known to exhibit exceptional mechanical properties at room temperature; however, the origin is still elusive. Here, we report the deformation microstructure evolutions in a tensile-deformed Co
Cr
Ni representative MEA and Co
Ni alloy, a conventional binary alloy for comparison. These FCC alloys have high/low friction stresses, and share similar other material properties. The CoCrNi MEA exhibited higher yield strength and work-hardening ability than in the CoNi alloy. Deformation microstructures in the CoCrNi alloy were marked by the presence of coarse dislocation cells (DCs) regardless of grain orientation and a few deformation twins (DTs) in grains with the tensile axis (TA) near 
1 1 1
. In contrast, the MEA developed three distinct deformation microstructures depending on grain orientations: fine DCs in grains with the TA near 1 0 0, planar dislocation structure (PDS) in grains with other orientations, and a high density of DTs along with PDS in grains oriented 1 1 1. These findings demonstrate that FCC HEAs/MEAs with high friction stresses naturally develop unique deformation microstructures which is beneficial for realizing superior mechanical properties compared to conventional materials.
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。
岡田 和歩*; 柴田 曉伸*; 木村 勇次*; 山口 正剛; 海老原 健一; 辻 伸泰*
Acta Materialia, 280, p.120288_1 - 120288_14, 2024/11
被引用回数：2 パーセンタイル：36.18(Materials Science, Multidisciplinary)The present study aimed at strengthening prior austenite grain boundary (PAGB) cohesive energy using carbon segregation and investigated the effect of carbon segregation at PAGB on the microscopic crack propagation behavior of hydrogen-related intergranular fractures in high-strength martensitic steels. At the low hydrogen content (below 0.2 wt. ppm), the fracture initiation toughness (
) and tearing modulus (
), corresponding to crack growth resistance, were significantly improved by carbon segregation. In contrast, and did not change by carbon segregation at the high hydrogen content (above 0.5 wt. ppm). Considering the non-linear relationship between the toughness properties and the PAGB cohesive energy, the experimentally evaluated toughness properties ( and ) and the GB cohesive energy previously calculated by first-principles calculations were semi-quantitatively consistent even at the high hydrogen content. The microstructure observation confirmed that the plastic deformation associated with crack propagation, such as the local ductile fracture of uncracked ligaments and the formation of dislocation cell structures/nano-voids, played an important role in the non-linear relationship between the toughness properties and PAGB cohesive energy.
Mao, W.*; Gao, S.*; Gong, W.; 川崎 卓郎; 伊東 達矢; Harjo, S.; 辻 伸泰*
Acta Materialia, 278, p.120233_1 - 120233_13, 2024/10
被引用回数：13 パーセンタイル：96.74(Materials Science, Multidisciplinary)Using a hybrid method of in situ neutron diffraction and digital image correlation, we found that ultrafine-grained 304 stainless steel exhibits Luders deformation after yielding, in which the deformation behavior changes from a cooperation mechanism involving dislocation slip and martensitic transformation to one primarily governed by martensitic transformation, as the temperature decreases from 295 K to 77 K. Such martensitic transformation-governed Luders deformation delays the activation of plastic deformation in both the austenite parent and martensite product, resulting in delayed strain hardening. This preserves the strain-hardening capability for the later stage of deformation, thereby maintaining a remarkable elongation of 29% while achieving a high tensile strength of 1.87 GPa at 77 K.
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：2 パーセンタイル：36.18(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：57.76(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：57.76(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。
Ma, Y.*; Naeem, M.*; Zhu, L.*; He, H.*; Sun, X.*; Yang, Z.*; He, F.*; Harjo, S.; 川崎 卓郎; Wang, X.-L.*
Acta Materialia, 270, p.119822_1 - 119822_13, 2024/05
被引用回数：10 パーセンタイル：94.16(Materials Science, Multidisciplinary)We report an in situ neutron diffraction study of 316 L that reveals an extraordinary work-hardening rate (WHR) of 7 GPa at 15 K. Detailed analyses show that the major contribution to the excellent strength and ductility comes from the transformation-induced plasticity (TRIP) effect, introduced by the austenite-to-martensite (
-to-
') phase transition. A dramatic increase in the WHR is observed along with the transformation; the WHR declined when the austenite phase is exhausted. During plastic deformation, the volume-fraction weighted phase stress and stress contribution from the '-martensite increase significantly. The neutron diffraction data further suggest that the -to-' phase transformation was mediated by the 
-martensite, as evidenced by the concurrent decline of the phase with the phase.
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：57.76(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。
Guo, B.*; Chen, H.*; Chong, Y.*; Mao, W.; Harjo, S.; Gong, W.; Zhang, Z.*; Jonas, J. J.*; 辻 伸泰*
Acta Materialia, 268, p.119780_1 - 119780_11, 2024/04
被引用回数：10 パーセンタイル：94.16(Materials Science, Multidisciplinary)This paper focused on the characterization and mechanism of the dynamic transformation from the alpha to beta phase during the hot deformation of Ti-6Al-4V alloy and pure titanium. The investigation employed in-situ neutron diffraction and atomistic simulations for a comprehensive understanding of the process. Dynamic transformations were observed during deformation of the Ti-6Al-4V alloy and pure titanium below the beta transus temperatures. During isothermal holding after unloading, the in-situ neutron diffraction results for Ti-6Al-4V and pure titanium indicated a sluggish reverse transformation from the beta to alpha phase. The mechanism of dynamic transformation was explored through in-situ neutron diffraction and atomistic simulations, which revealed twofold effects of deformation on dynamic transformation. Firstly, deformation led to a significant rise in the Gibbs energy of the alpha phase relative to the beta phase, expanding the beta phase region and diminishing the alpha phase region. Secondly, deformation lowered the energy barriers associated with dynamic transformation, facilitating the activation of dynamic transformation more readily than in the equilibrium state before deformation.
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：80.41(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。
Vauchy, R.; 廣岡 瞬; 村上 龍敏
Materialia, 32, p.101934_1 - 101934_12, 2023/12
The construction of the fluorite unit-cell from the ionic radii of the constitutive species is proposed with the use of our hybrid model, considering flexible anion and cation radii. 27 binary and stoichiometric compounds crystallizing in this structure were investigated to find a correlation between the anion's radius as a function of the cation's size.
Vauchy, R.; 廣岡 瞬; 村上 龍敏
Materialia, 32, p.101943_1 - 101943_8, 2023/12
The construction of the halite unit-cell from the ionic radii of the constitutive species is proposed with the use of our hybrid model, considering flexible anion and cation radii. 312 binary halite-structured stoichiometric compounds were analyzed. This systematic study focuses first on the revision of the ionic radii of the considered species then on the proposition of relations between the anionic radius as a function of the cation's size.
