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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：0 パーセンタイル：0(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：0 パーセンタイル：0.04(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.
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：1 パーセンタイル：57.45(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。
neutron diffraction and electron microscopy studyZheng, R.*; Gong, W.; Du, J.-P.*; Gao, S.*; Liu, M.*; Li, G.*; 川崎 卓郎; Harjo, S.; Ma, C.*; 尾方 成信*; et al.
Acta Materialia, 238, p.118243_1 - 118243_15, 2022/10
被引用回数：3 パーセンタイル：86.42(Materials Science, Multidisciplinary)Grain refinement can lead to the strengthening of metallic materials according to the Hall-Petch relationship. However, our recent results suggested that grain boundary sliding is the dominant deformation mode in bulk ultrafine grained (UFG) pure Mg at room temperature, leading to softening. Here, for the first time, we report that the Hall-Petch strengthening can be regained in bulk UFG pure Mg at cryogenic temperature. At 77K, the UFG pure Mg with a mean grain size of 0.6 
m exhibited ultrahigh tensile yield strength and ultimate tensile strength of 309 MPa and 380 MPa, respectively. Combined neutron diffraction and electron microscopy investigation indicated that residual dislocation structures and deformation twins hardly formed in the UFG specimen during tensile test at 298K. In contrast, fast accumulation of lattice defects and remarkable reorientation were evident at 77K, suggesting that the grain-boundary-mediated process was suppressed and the plastic deformation was dominated by dislocation slip and deformation twinning. In addition, all the pure Mg specimens exhibited pronounced strain hardening at 77 K, which was mainly attributed to the suppressed grain boundary sliding and dynamic recovery. The mean dislocation density and relative fractions of dislocations with various Burgers vectors of the UFG specimen deformed at 77K were determined quantitatively from neutron diffraction data.
榊 浩司*; Kim, H.*; Majzoub, E. H.*; 町田 晃彦*; 綿貫 徹*; 池田 一貴*; 大友 季哉*; 水野 正隆*; 松村 大樹; 中村 優美子*
Acta Materialia, 234, p.118055_1 - 118055_10, 2022/08
被引用回数：2 パーセンタイル：57.45(Materials Science, Multidisciplinary)Local structure in the di-hydride phases of V-Ti-Cr solid solution alloys were investigated using synchrotron X-ray and neutron total scattering experiments. Both Rietveld refinement and pair distribution function (PDF) refinement of the X-ray scattering data indicated that the crystal structure of the metal lattice was a face centered cubic (FCC) structure and no difference between their local structure and average structure was observed. However, the CaF
structure model did not reproduce the first peak corresponding to the metal-hydrogen correlation in neutron PDF patterns. When special quasi-random structure (SQS) models are applied for the refinements, the whole neutron PDF patterns were reproduced. Distribution of interatomic distances between hydrogen and metal atoms in the relaxed SQS models showed that interatomic distance of hydrogen with Cr was shorter than that with V and that with Ti was longer than that with V, independently of the chemical compositions.
Liu, M.*; Gong, W.; Zheng, R.*; Li, J.*; Zhang, Z.*; Gao, S.*; Ma, C.*; 辻 伸泰*
Acta Materialia, 226, p.117629_1 - 117629_13, 2022/03
被引用回数：11 パーセンタイル：98.67(Materials Science, Multidisciplinary)One hopeful path to realize good comprehensive mechanical properties in metallic materials is to accomplish homogeneous nanocrystalline (NC) or ultrafine grained (UFG) structure with low dislocation density. In this work, high pressure torsion deformation followed by appropriate annealing was performed on 316 stainless steel (SS). For the first time, we successfully obtained NC/UFG 316 SS having uniform microstructures with various average grain sizes ranging from 46 nm to 2.54 m and low dislocation densities. Among the series, an un-precedentedly high yield strength (2.34 GPa) was achieved at the smallest grain size of 46 nm, in which dislocation scarcity induced hardening accounting for 57% of the strength. On the other hand, exceptional strength-ductility synergy with high yield strength (900 MPa) and large uniform elongation (27%) was obtained in the fully recrystallized specimen having the grain size of 0.38 m. The high yield stress and scarcity of dislocation sources in recrystallized UFGs activated stacking faults and deformation twins nucleating from grain boundaries during straining, and their interaction with dislocations allowed for sustainable strain hardening, which also agreed with the plaston concept recently proposed. The multiple deformation modes activated, together with the effective strengthening mechanisms, were responsible for the outstanding comprehensive mechanical performance of the material.
岡田 和歩*; 柴田 曉伸*; Gong, W.; 辻 伸泰*
Acta Materialia, 225, p.117549_1 - 117549_13, 2022/02
被引用回数：6 パーセンタイル：94.23(Materials Science, Multidisciplinary)In this study, the deformation microstructure of hydrogen-charged ferritic-pearlitic 2Mn-0.1C steel was characterized using SEM-BSE, SEM-EBSD, TEM, and neutron diffraction. The microscopic mechanism of hydrogen-related quasi-cleavage fracture along the 
planes was also discussed. It was found that hydrogen increased the relative velocity of screw dislocations to edge dislocations, leading to a tangled dislocation morphology, even at the initial stage of deformation (strain = 0.03). In addition, the density of screw dislocations at the later stage of deformation (strain = 0.20) increased in the presence of hydrogen. Based on the experimental results, it is proposed that a high density of vacancies accumulated along slip planes by jog-dragging of screw dislocations, and coalescence of the accumulated vacancies led to the hydrogen-related quasi-cleavage fracture along the {011} slip planes.
Wei, D.*; Wang, L.*; Zhang, Y.*; Gong, W.; 都留 智仁; Lobzenko, I.; Jiang, J.*; Harjo, S.; 川崎 卓郎; Bae, J. W.*; et al.
Acta Materialia, 225, p.117571_1 - 117571_16, 2022/02
被引用回数：22 パーセンタイル：99.69(Materials Science, Multidisciplinary)Recently-developed high-entropy alloys (HEAs) containing multiple principal metallic elements have ex-tended the compositional space of solid solutions and the range of their mechanical properties. Here we show that the realm of possibilities can be further expanded through substituting the constituent metals with metalloids, which are desirable for tailoring strength/ductility because they have chemical interactions and atomic sizes distinctly different from the host metallic elements. Specifically, the metalloid substitution increases local lattice distortion and short-range chemical inhomogeneities to elevate strength, and in the meantime reduces the stacking fault energy to discourage dynamic recovery and encourage defect accumulation via partial-dislocation-mediated activities. These impart potent dislocation storage to improve the strain hardening capability, which is essential for sustaining large tensile elongation. As such, metalloid substitution into HEAs evades the normally expected strength-ductility trade-off, enabling an unusual synergy of high tensile strength and extraordinary ductility for these single-phase solid solutions.
Naeem, M.*; He, H.*; Harjo, S.; 川崎 卓郎; Lin, W.*; Kai, J.-J.*; Wu, Z.*; Lan, S.*; Wang, X.-L.*
Acta Materialia, 221, p.117371_1 - 117371_18, 2021/12
被引用回数：16 パーセンタイル：93.54(Materials Science, Multidisciplinary)We studied the deformation behavior of CrFeCoNi high-entropy alloy by in situ neutron diffraction at room temperature, intermediate low temperature of 140 K, low temperatures of 40 K (no serrated deformation) and 25 K (with massive serrations). The contributions from different deformation mechanisms to the yield strength and strain hardening have been estimated. The athermal contributions to the yield strength were 
183 MPa at all temperatures, while the Peierls stress increased significantly at low temperatures (from 148 MPa at room temperature to 493 MPa at 25 K). Dislocations contributed to 94% strain hardening at room temperature. Although the dislocation strengthening remained the major hardening mechanism at very low temperatures, the planar faults contribution increased steadily from 6% at room temperature to 28% at 25 K.
板倉 充洋; 山口 正剛; 江草 大佑*; 阿部 英司*
Acta Materialia, 203, p.116491_1 - 116491_9, 2021/01
被引用回数：11 パーセンタイル：88.15(Materials Science, Multidisciplinary)シンクロ型長周期積層(LPSO)合金において溶質原子クラスタはキンク変形やキンク強化といった特異な塑性に中心的役割を果たす。強化機構を解明にはその原子構造を決定することが必須であるが、クラスタに含まれる格子間原子に関して不明な点が残っていた。本研究では第一原理計算によりクラスタが形成される過程を詳細に調べ、その成長過程で中心付近にある原子が自発的に格子間原子となり、同時に空孔が形成されることを示した。これにより実験で不明であった格子間原子の種類と割合が決定された。更に自発的な空孔形成はこれまで金属材料では知られていない現象であり、これによってLPSO構造の形成が加速されていることを初めて示した。
Lam, T.-N.*; Lee, S. Y.*; Tsou, N.-T.*; Chou, H.-S.*; Lai, B.-H.*; Chang, Y.-J.*; Feng, R.*; 川崎 卓郎; Harjo, S.; Liaw, P. K.*; et al.
Acta Materialia, 201, p.412 - 424, 2020/12
被引用回数：29 パーセンタイル：94.97(Materials Science, Multidisciplinary)We examined fatigue-crack-growth behaviors of CoCrFeMnNi high-entropy alloys (HEAs) under as-fatigued and tensile-overloaded conditions using neutron-diffraction measurements coupled with diffraction peak-profile analyses. We applied both high-resolution transmission electron microscopy (HRTEM) and neutron-diffraction strain mapping for the complementary microstructure examinations. Immediately after a single tensile overload, the crack-growth-retardation period was obtained by enhancing the fatigue resistance, as compared to the as-fatigued condition. The combined mechanisms of the overload-induced larger plastic deformation, the enlarged compressive residual stresses and plastic-zone size, the crack-tip blunting ahead of the crack tip, and deformation twinning governed the pronounced macroscopic crack-growth-retardation behavior following the tensile overload.
Wang, Y.*; 友田 陽*; 大村 孝仁*; Gong, W.*; Harjo, S.; 田中 雅彦*
Acta Materialia, 196, p.565 - 575, 2020/09
被引用回数：20 パーセンタイル：89.43(Materials Science, Multidisciplinary)The continuous and discontinuous yielding behaviors in ferrite-cementite steels were complementarily investigated via nano- and macroscale deformation examinations. The results obtained by electron microscopy, synchrotron X-ray, and neutron diffractions indicate that the ferrite-cementite interface of the heat-treated specimen is semi-coherent with a high internal stress field, whereas that of the recrystallized one is incoherent with a low internal stress field. Moreover, coherency strain, which depends on the total area of the ferrite-cementite interface, and thermal strain, which is governed by temperature, are the two factors that influence peak broadening. The nanoindentation tests revealed that the critical loads are significantly lower near the semi-coherent interface than those near the incoherent interface and the ferrite grain boundary; this suggests that dislocations are easily emitted from the semi-coherent interface.
Harjo, S.; 窪田 哲*; Gong, W.*; 川崎 卓郎; Gao, S.*
Acta Materialia, 196, p.584 - 594, 2020/09
被引用回数：8 パーセンタイル：61.57(Materials Science, Multidisciplinary)To understand work hardening behavior during low-cycle loading, ductile cast iron containing spheroidal graphite, pearlite, and ferrite matrix was investigated in an in situ neutron diffraction study of up to four cycles of tensile-compressive loading with applied strains of 
0.01. The amplitudes of applied stress, Bauschinger stress, and Bauschinger strain were found to increase with increasing cycle number, indicating work hardening as cyclic loading progressed. Absolute values of ferrite lattice strain at maximum and minimum applied strains increased with increasing cycle number, indicating an increase in ferrite strength. Consequently, the stress contribution to the strength from ferrite increased as cyclic loading progressed. The increase in ferrite strength, caused by dislocation accumulation in ferrite during cyclic loading, played an important role in the work hardening of the ductile cast iron.
observation and analysis of solid-state diffusion and liquid migration in a crystal growth system; A Segregation-driven diffusion coupleTremsin, A. S.*; Perrodin, D.*; Losko, A. S.*; Vogel, S. C.*; 篠原 武尚; 及川 健一; Bizarri, G. A.*; Bourret, E. D.*; Peterson, J. H.*; Wang, K. P.*; et al.
Acta Materialia, 186, p.434 - 442, 2020/03
被引用回数：3 パーセンタイル：28.4(Materials Science, Multidisciplinary)Energy-resolved neutron imaging is employed for measurements of dopant transport in a simple experiment performed before the crystal growth of the scintillator BaBrCl:5%Eu via a vertical gradient freeze technique. During a stabilization period preceding growth, we observed the diffusion of Eu from the solid phase into the melt over a period of approximately 4 h. Comparing the measured centerline concentration profile with a mathematical model for the system, we estimate the solid-state diffusivity of Eu in BaBrCl as 
= 1.9 
10
m
/s and an upper limit for the liquid-phase diffusivity of Eu in the melt as 
= 2.5 10 m/s, at temperatures near the melting point. We compare this experiment, where diffusion is driven by a concentration discontinuity arising from segregation, to the classical diffusion couple technique.
Wang, Y.*; 友田 陽*; 大村 孝仁*; 諸岡 聡; Gong, W.*; Harjo, S.
Acta Materialia, 184, p.30 - 40, 2020/02
被引用回数：18 パーセンタイル：87.11(Materials Science, Multidisciplinary)A high-intensity and high-resolution neutron diffractometer with a thermomechanically controlled processing simulator was employed in-situ to investigate martensite transformation behavior with and without ausforming for a medium-carbon low-alloy steel. Serial neutron diffraction profiles have revealed that the transformation behavior could be successfully monitored during quenching with and without the ausforming process. The lattice parameter and the full width at half maximum of austenite peaks significantly decreases and increases upon martensite transformation, respectively. After ausforming, the data reveal that lattice parameters are larger in austenite whereas smaller in martensite compared with those in the non-ausformed case, which is ascribed to the introduced dislocations. The cutting-edge operant quantitative measurements with neutron diffraction for steel production is demonstrated.
Ahadi, A.*; Khaledialidusti, R.*; 川崎 卓郎; Harjo, S.; Barnoush, A.*; 土谷 浩一*
Acta Materialia, 173, p.281 - 291, 2019/07
被引用回数：18 パーセンタイル：76.65(Materials Science, Multidisciplinary)The temperature-dependent elasticity of the B19' NiTi is unknown today. To gain insights into the lattice-level temperature-dependent elasticity of the B19' crystal, we present results of neutron diffraction experiments performed on polycrystalline martensitic specimens in the temperature range of 300 down to 50 K. The experimental results are compared with the density functional theory molecular dynamics (DFT-MD) and Quasi Harmonic Approximation (QHA) calculations. The results confirm that the temperature-dependent Young's modulus (TDYM) of the B19' crystal is strongly anisotropic. The experimental results along with the first-principles calculations confirm that the Elinvar and Invar are two confluent properties in NiTi SMAs and can be tailored by texturing B19' crystallographic orientations.
Yang, P.-J.*; Li, Q.-J.*; 都留 智仁; 尾方 成信*; Zhang, J.-W.*; Sheng, H.-W.*; Shan, Z.-W.*; Sha, G.*; Han, W.-Z.*; Li, J.*; et al.
Acta Materialia, 168, p.331 - 342, 2019/04
被引用回数：36 パーセンタイル：94.06(Materials Science, Multidisciplinary)ニオブなどの体心立方構造をもつ金属材料は低濃度の酸素固溶によって脆化しやすいことが知られているが、酸素誘起の硬化や損傷の機構は明らかになっていない。我々は、実験、および第一原理計算と分子動力学計算を用いて詳細な機構を検討した。その結果、酸素の格子間原子はらせん転位と引力相互作用を生じ、それによって転位運動でクロスキンクが生成され、同時に多くの空孔が生成されることを明らかにした。これらの空孔はさらに酸素と転位の三体間の硬化によって転位の運動を阻害することで、著しい硬化を生じることを明らかにした。
Ahadi, A.*; 川崎 卓郎; Harjo, S.; Ko, W.-S.*; Sun, Q. P.*; 土谷 浩一*
Acta Materialia, 165, p.109 - 117, 2019/02
被引用回数：38 パーセンタイル：94.69(Materials Science, Multidisciplinary)We report emergence of an unprecedented elastocaloric effect with a decrease of temperature, well below the temperature range of martensitic phase transformation, in a model nanocrystalline NiTi that preserves slim-hysteresis superelasticity at ultra-low temperatures. The new elastocaloric effect emerges at a temperature of about 90 K, exhibits an opposite sign than the conventional elastocaloric effect, and intensifies gradually with a decrease of temperature to 18 K. At 18 K, a large adiabatic temperature change of +3.4 K is measured upon rapid release of tensile stress. The measured adiabatic temperature change are larger and extend over a wider temperature span than the existing electrocaloric, piezocaloric, and barocaloric cryo-refrigeration materials.
都留 智仁; 染川 英俊*; Chrzan, D. C.*
Acta Materialia, 151, p.78 - 86, 2018/06
被引用回数：53 パーセンタイル：96.3(Materials Science, Multidisciplinary)溶質元素による金属の破壊現象を理解するため、Mg合金に対して実験と破壊力学理論と第一原理計算の連携による検討を行った。Mg二元系合金の破壊を極めて脆性的であると仮定し、粒界や双晶境界の破壊をエネルギーベースの基準で評価することによって第一原理計算を有効に適用することを可能にした。また、化学結合が破壊に寄与する影響を詳細に検討し、IIIBやIVB族元素が破壊抵抗を向上する効果を有することを体系的に明らかにした。これまでに知られていない元素であるZrが破壊靱性を向上させるという実験結果とよく一致しており、計算科学を用いた元素戦略による材料設計が有効であることを示した。
染川 英俊*; 都留 智仁; Singh, A.*; 三浦 誠司*; Schuh, C. A.*
Acta Materialia, 139, p.21 - 29, 2017/10
被引用回数：24 パーセンタイル：79.04(Materials Science, Multidisciplinary)ナノインデンテーションにおけるポップイン挙動は転位の活動によって生じるため、結晶方位に強く影響する。我々はマグネシウムに対するナノインデンテーションに対する実験と分子動力学計算によって方位の影響を詳細に検討した。実験によるインデンテーションから、底面の押込みにおけるポップイン荷重とそれに付随した変位は柱面への押込みより大きくなることがわかり、原子シミュレーションによる荷重-変位関係からも同様の結果が得られた。これらの方位による違いは、押込みによって生成される転位のタイプによって特徴づけられ、柱面のポップインは押込み軸に垂直な底面すべりによって生じる一方、底面では押込み方向の変位を生成しない底面すべりだけでなく錐面上に転位が生成されるためであることがわかった。
