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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：0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：0 パーセンタイル：0(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.
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：0 パーセンタイル：0(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：3 パーセンタイル：48.82(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。
titanium alloys strong and ductileChong, Y.*; Gholizadeh, R.*; Guo, B.*; 都留 智仁; Zhao, G.*; 吉田 周平*; 光原 昌寿*; Godfrey, A.*; 辻 伸泰*
Acta Materialia, 257, p.119165_1 - 119165_14, 2023/09
被引用回数：5 パーセンタイル：87.83(Materials Science, Multidisciplinary)チタン合金は、優れた歪み硬化能を有する反面、降伏強度が低いという問題を抱えている。ここでは、Ti-12Mo(wt.%)準安定チタン合金の降伏強度の向上における結晶粒の微細化と格子間物質の添加の寄与について検討した。その結果、結晶粒の微細化は材料を強化するどころか、この合金の極限引張強度を低下させることがわかった。この予想外の異常な挙動は、ひずみ誘起
マルテンサイト相変態が著しく促進されたことに起因しており、その場観察放射光X線回折分析により、この相が相よりはるかに軟らかいことが初めて明らかになった。また、酸素添加と結晶粒微細化の組み合わせにより、Ti-12Mo-0.3O(wt.%)合金において前例のない強度と延性の相乗効果が得られることが判明した。この三元合金における酸素溶質には2つの有利な点がある。第一に、溶質酸素は、微細な組織においても、歪みによるマルテンサイト相への変態を大きく抑制し、過剰なマルテンサイトによる軟化効果を回避することができる。次に、アトムプローブトモグラフィーで明らかになったように、酸素溶質が双晶境界に偏析しやすい。これにより、
変形双晶の成長が抑制され、より広範な双晶の核生成が促進される。本研究で得られた知見は、強靭な準安定チタン合金を設計するための費用対効果の高い根拠となり、この高強度対重量構造材料のさらなる普及に大きな意味を持つ。
Mao, W.; Gao, S.*; Gong, W.; Bai, Y.*; Harjo, S.; Park, M.-H.*; 柴田 曉伸*; 辻 伸泰*
Acta Materialia, 256, p.119139_1 - 119139_16, 2023/09
被引用回数：5 パーセンタイル：91.69(Materials Science, Multidisciplinary)変形誘起塑性(TRIP)鋼は、変形誘起マルテンサイト変態(DIMT)に伴う加工硬化率の向上により、強度と延性の優れた組み合わせを示す。TRIP鋼や合金の加工硬化挙動におけるDIMTの役割を定量的に評価することは、強度と延性の両立を可能にする先進材料を設計するための指針を与えるが、変形中に相組成が変化し続け、応力と塑性ひずみの両方が構成相間で動的に分配されるため、その評価は困難である。本研究では、Fe-24Ni-0.3C(wt.%)TRIPオーステナイト鋼の引張変形とその場中性子回折測定を行った。中性子回折測定による応力分割と相分割に基づく解析手法を提案し、試験片の引張流動応力と加工硬化率を、オーステナイト母相,変形誘起マルテンサイト、DIMT変態速度に関連する因子に分解し、試料の加工硬化挙動における各因子の役割を考察した。さらに、回折プロファイル解析により測定した転位密度を用いてオーステナイトとマルテンサイト間の塑性ひずみ分配を間接的に推定し、材料中のオーステナイトとマルテンサイト間の応力・ひずみ分配の全体像を構築した。その結果、変形誘起マルテンサイト変態速度とマルテンサイトが負担する相応力の両方が、材料の全体的な引張特性に重要な役割を果たしていることが示唆された。提案した分解解析法は、TRIP現象を示す多相合金の機械的挙動を調べるために広く適用できる可能性がある。
Mg and long-period stacking ordered phases in a Mg-Zn-Y alloy by hot-extrusion with low extrusion ratioHarjo, S.; Gong, W.; 相澤 一也; 川崎 卓郎; 山崎 倫昭*
Acta Materialia, 255, p.119029_1 - 119029_12, 2023/08
被引用回数：7 パーセンタイル：94.17(Materials Science, Multidisciplinary)An as-cast sample and two hot-extruded samples with different extrusion ratios (R) of Mg
Zn
Y
alloy containing the HCP matrix (Mg) and the long-period stacking ordered phase (LPSO) of about 25-vol%, were used in tensile deformation in situ neutron diffraction experiments, to elucidate the effects of uniquely different microstructural evolutions in Mg and LPSO with varying the R value to the mechanical properties. Mg behaved as the soft phase and LPSO as the hard phase, and hot-extrusion improved the strength of both. At the R value of 5.0, a bimodal microstructure was created in Mg, increasing largely the yield strength of Mg. With increasing the R value to 12.5, the bimodal microstructure of Mg collapsed and the yield strength of Mg decreased. However, the strength of LPSO increased monotonously with increasing the R value due to the developments of kink bands and texture.
neutron diffractionGong, W.; Harjo, S.; 友田 陽*; 諸岡 聡; 川崎 卓郎; 柴田 曉伸*; 辻 伸泰*
Acta Materialia, 250, p.118860_1 - 118860_16, 2023/05
被引用回数：6 パーセンタイル：70.11(Materials Science, Multidisciplinary)Martensitic transformation is accompanied by the generation of microscale and macroscale internal stresses during cooling below the martensitic transformation start temperature. These internal stresses have been determined through X-ray or neutron diffraction, but the reported results are not consistent, probably because the measured lattice parameter is influenced not only by the internal stress but also by several factors, including solute elements and crystal defects. Therefore, neutron diffraction combined with dilatometry measurements during martensitic transformation and subsequent cyclic tempering were performed for an Fe-18Ni alloy. The phase strains calculated by lattice parameter variations show that a hydrostatic compressive strain in austenite and a tensile strain in martensite arose as the martensitic transformation progressed during continuous cooling or isothermal holding. However, the phase stresses of austenite and martensite estimated from these strains failed to hold stress balance law when dense crystal defects involved in the processes. After these crystal defects were removed by appropriate tempering, the stress balance law held well. Meanwhile, the phase stresses of austenite and martensite were changed to opposite, revealing their true identity. Various crystal defects in austenite and martensite, introduced by plastic accommodation, were suggested to affect their lattice parameters and then their phase stresses.
Kwon, H.*; 志賀 基之; 君塚 肇*; 小田 卓司*
Acta Materialia, 247, p.118739_1 - 118739_11, 2023/04
被引用回数：5 パーセンタイル：81.19(Materials Science, Multidisciplinary)機械学習によるモーメントテンソルポテンシャルを用いた経路積分シミュレーションから、体心立方格子金属(Nb, Fe, W)中の希薄水素の拡散係数を密度汎関数理論レベルの精度で推定した。この計算結果は、精度が高いと考えられるいくつかの実験結果と大いに一致した。また、実験結果と矛盾なく同位体効果を再現した。
Kwon, H.*; Sathiyamoorthi, P.*; Gangaraju, M. K.*; Zargaran, A.*; Wang, J.*; Heo, Y.-U.*; Harjo, S.; Gong, W.; Lee, B.-J.*; Kim, H. S.*
Acta Materialia, 248, p.118810_1 - 118810_12, 2023/04
被引用回数：15 パーセンタイル：98.95(Materials Science, Multidisciplinary)Maraging steels, known for ultrahigh strength and good fracture toughness, derive their superior properties from lath martensite structure with high-density nanoprecipitates. In this work, we designed a novel Fe-based medium-entropy alloy with a chemical composition of Fe
Co
Ni
Mo
in atomic% by utilizing the characteristics of the maraging steels. By a single-step aging of only 10 min at 650 
C, the alloy showed microstructures consisting of a very high number density of (Fe, Co, Ni)
Mo
-type nanoprecipitates in lath martensite structure and reverted FCC phase, which led to ultrahigh yield strength higher than 2 GPa. This work demonstrates a novel direction to produce strong and ductile materials by expanding the horizons of material design with the aid of high-entropy concept and overcoming the limits of conventional materials.
Woo, W.*; Kim, Y. S.*; Chae, H. B.*; Lee, S. Y.*; Jeong, J. S.*; Lee, C. M.*; Won, J. W.*; Na, Y. S.*; 川崎 卓郎; Harjo, S.; et al.
Acta Materialia, 246, p.118699_1 - 118699_13, 2023/03
被引用回数：13 パーセンタイル：98.47(Materials Science, Multidisciplinary)In situ neutron diffraction experiments have been performed under loading in cast-wrought (CW) and additively manufactured (AM) equiatomic CoCrNi medium-entropy alloys. The diffraction line profile analysis correlated the faulting-embedded crystal structure to the dislocation density, stacking/twin fault probability, and stacking fault energy as a function of strain. The results showed the initial dislocation density of 1.8
10
m
in CW and 1.310
m in AM. It significantly increased up to 1.310
m- in CW and 1.710 m in AM near fracture. The dislocation density contributed to the flow stress of 470 MPa in CW and 600 MPa in AM, respectively. Meanwhile, the twin fault probability of CW (2.7%) was about two times higher than AM (1.3%) and the stacking fault probability showed the similar tendency. The twinning provided strengthening of 360 MPa in CW and 180 MPa in AM. Such a favorable strengthening via deformation twinning in CW and dislocation slip in AM was attributed to the stacking fault energy. It was estimated as 18.6 mJ/m
in CW and 37.5 mJ/m in AM by the strain field of dislocations incorporated model. Dense dislocations, deformation twinning, and atomic-scale stacking structure were examined by using electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM).
Wang, Y.*; 友田 陽*; 大村 孝仁*; Gong, W.; Harjo, S.
Materialia, 27, p.101685_1 - 101685_9, 2023/03
The evolution of internal stress during displacive transformation is a topic of continuous debate. Neutron diffraction was used to study the isothermal bainite transformation in a 0.4 C low alloyed steel from 773 to 623 K to provide a clearer basis for discussion regarding the change in the austenite lattice parameter. According to diffraction profile analysis, fresh bainite possesses a body-centered tetragonal structure, and its c/a ratio decreases rapidly over time. The austenite lattice parameter increases or decreases depending on whether the transformation temperature is above or below the nose of the Time-Temperature-Transformation (TTT) curve. This isothermal transformation behavior can be divided into two categories: above and below the nose of TTT curve, which correspond to the upper and lower bainites, respectively. The internal stresses caused by the transformation strains are relaxed by dislocation motion and vacancy formation. The yielded dislocations and vacancies not only affect the broadening of both austenite and bainitic ferrite diffraction peaks but also the lattice parameter.
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：4 パーセンタイル：53.21(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.
Lam, T.-N.*; Chin, H.-H.*; Zhang, X.*; Feng, R.*; Wang, H.*; Chiang, C.-Y.*; Lee, S. Y.*; 川崎 卓郎; Harjo, S.; Liaw, P. K.*; et al.
Acta Materialia, 245, p.118585_1 - 118585_9, 2023/02
被引用回数：8 パーセンタイル：78.27(Materials Science, Multidisciplinary)The present study investigates the crystallographic-texture effects on the improved fatigue resistance in the CoCrFeMnNi high-entropy alloys (HEAs) with the full-size geometry of the ASTM Standards E647-99. We exploited X-ray nano-diffraction mapping to characterize the crystal-deformation levels ahead of the crack tip after stress unloading under both constant- and tensile overloaded-fatigue conditions. The crack-tip blunting-induced much higher deformation level was concentrated surrounding the crack-tip which delays the fatigue-crack growth immediately after a tensile overload. The predominant deformation texture orientation in the Paris regime was investigated, using electron backscatter diffraction and orientation distribution function analyses. The twinning formation-driven shear deformation gave rise to the development of the Goss-type texture within the plastic deformation regime under a tensile-overloaded-fatigue condition, which was attributed to enhance the crack deflection and thus the tensile induced crack-growth-retardation period in the CoCrFeMnNi HEA.
neutron diffraction澤口 孝宏*; 友田 陽*; 吉中 奎貴*; Harjo, S.
Acta Materialia, 242, p.118494_1 - 118494_14, 2023/01
被引用回数：5 パーセンタイル：61.61(Materials Science, Multidisciplinary)Fe-Mn-Si-based alloys, show superior resistance to plastic fatigue compared to the conventional steels, which is ascribed to the reversible back-and-forth movement of Shockley partial dislocations associated with a reversible martensitic transformation between the face-centered cubic 
-austenite and hexagonal close-packed 
-martensite. The purpose of this study was to gather evidence of the reversible martensitic transformation using in situ neutron diffraction under cyclic loading. Three Fe-30Mn-Si-Al alloys with different Gibbs free energy differences at 298 K were studied to unravel the effect of phase stability on the degree of reversibility.
phase to phase in zirconium alloy revealed by in-situ neutron diffraction during high temperature deformationGuo, B.*; Mao, W.; Chong, Y.*; 柴田 曉伸*; Harjo, S.; Gong, W.; Chen, H.*; Jonas, J. J.*; 辻 伸泰*
Acta Materialia, 242, p.118427_1 - 118427_11, 2023/01
被引用回数：7 パーセンタイル：61.61(Materials Science, Multidisciplinary)Dynamic transformation from alpha (HCP) to beta (BCC) phase in a zirconium alloy was revealed by the use of in-situ neutron diffraction during hot compression. The dynamic transformation was unexpectedly detected during isothermal compression at temperatures of 900C and 950C (alpha + beta two-phase region) and strain rates of 0.01 s
and 0.001 s, even though equilibrium two-phase states were achieved prior to the hot compression. Dynamic transformation was accompanied by diffusion of Sn from beta to alpha phase, which resulted in changes of lattice parameters and a characteristic microstructure of alpha grains. The details of dynamic transformation are discussed using the evolution of lattice constants.
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：6 パーセンタイル：61.61(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.
Chong, Y.*; 都留 智仁; Guo, B.*; Gholizadeh, R.*; 井上 耕治*; 辻 伸泰*
Acta Materialia, 240, p.118356_1 - 118356_15, 2022/11
被引用回数：16 パーセンタイル：92.61(Materials Science, Multidisciplinary)本研究では、室温でのチタンの引張特性と変形挙動に及ぼす窒素含有量と結晶粒径の影響を体系的に調査した。巨大ひずみ加工と焼鈍により、超高降伏強度(1.04GPa)と大きな均一伸び(10%)の前例のない相乗効果を組み合わせた、完全再結晶微細構造を備えた超微細粒(UFG)Ti-0.3wt.%N合金が得られた。Ti-0.3wt.%N合金の硬化およびひずみ硬化メカニズムは、変形下部構造の観察と第一原理計算によって包括的に研究された。UFG Ti-0.3wt.%Nの優れた強度/延性バランスへの窒素の寄与は2倍であることが明らかになった。粒子内の窒素原子は、八面体から六面体のサイトへの窒素のシャッフルにより、角柱面上の
転位の運動を強く妨げ、純Tiの6倍の摩擦応力の増加を引き起こした。さらに、Ti-0.3wt.%N合金の柱面と錐面の間の積層欠陥エネルギー差が大幅に減少することで、
転位の活性化が容易になり、ひずみ硬化率の向上に寄与した。我々の実験的および理論的計算研究は、延性を大幅に犠牲にすることなく手頃な価格の高強度チタンの設計に関する知見を与える。
