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transitionsYang, Q.*; Yang, X.*; Wang, Y.*; Fei, Y.*; Li, F.*; Zheng, H.*; Li, K.*; Han, Y.*; 服部 高典; Zhu, P.*; et al.
Nature Communications (Internet), 15, p.7778_1 - 7778_9, 2024/09
明るい一重項励起子と三重項励起子を同時に発現する発光材料は、オプトエレクトロニクス、サイネージ、情報暗号化において大きな可能性を秘めている。しかしながら、高性能の白色発光を実現するためには、蛍光と燐光の寄与が不均衡であることが大きな障害となっている。ここでは、水素結合の協同効果による圧力処理エンジニアリングによって、n--遷移の混合を実現し、イソフタル酸(IPA)中で三重項状態の発光を7%から40%に高めることで、この課題に対処した。加圧処理したIPAでは、蛍光と燐光のハイブリッドに基づく優れた白色発光が得られ、フォトルミネッセンス量子収率は当初の19%(青色発光)から75%に増加した。その場での高圧IRスペクトル、X線回折、中性子回折から、圧力の上昇に伴い水素結合が連続的に強化されることが明らかになった。さらに、この強化された水素結合は、圧力処理後も常圧条件下まで保持され、バランスの取れた一重項/三重項励起子集団のための効率的な系間交差を目的としたIPAに与え、効率的な白色発光をもたらした。この研究は、有機低分子の三重項状態を明るくするルートを提案するだけでなく、一重項励起子と三重項励起子の比率を調節して、高性能の白色発光を構築するものである。
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
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.
Wang, Y. W.*; 徐 平光; Su, Y. H.; Ma, Y. L.*; Wang, H. H.*
Physics Examination and Testing, 42(4), p.32 - 41, 2024/08
With the rapid technological development of large spallation neutron source facilities, the neutron beam flux obtained has been greatly improved and neutron imaging techniques have been further developed. Due to the limitation of neutron beam flux, conventional neutron imaging techniques require neutron beams with a wide wavelength range to obtain relatively high neutron beam flux conditions. Recently, spallation neutron sources using large proton accelerators have made it possible to obtain high-flux pulsed neutron beams. Energy (wavelength) resolved neutron imaging technique based on the Bragg edge effect (neutron Bragg edge transmission imaging technique) is expected to have a wide range of applications because of its high energy resolution, high spatial resolution, and ability to detect crystallographic information. The basic principle of this technique is briefly introduced. Several applications in the evaluation of residual strain, phase composition, dislocation density, and oriented structure are also reviewed to play an active role in promoting the wider applications of related technique.
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
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.
Yuan, X.*; Hu, Q. H.*; Fang, X.*; Wang, Q. M.*; Ma, Y.*; 舘 幸男
Sedimentary Geology, 465, p.106633_1 - 106633_14, 2024/05
Archie's cementation factor, m, is a critical parameter for petrophysical studies, and the value is influenced by several factors such as the shape, type, and size of grains, degrees of diagenesis, and associated pore structure. Using integrated experimental and theoretical approaches, the goal of this study is to obtain the cementation factor of rocks (both reservoir rock and caprock) and assess the impact of diagenesis processes on the values of the cementation factor. Thirteen samples of geologically diverse rocks (six mudstones, four fossiliferous limestones, two marbles, and one sandstone) were selected to achieve these research objectives. Two approaches, the diffusion of gas tracers and the Bosanquet formula calculation using pore-throat sizes from mercury intrusion porosimetry analyses, were used to derive the cementation factors of these rock samples. These rocks were categorized into two groups based on the correlation between average pore-throat diameter and diffusivity, and an exponential-law relationship between the cementation factor and porosity was determined for these sample groups. In addition, thin-section petrography and field emission-scanning electron microscopy observations were utilized to investigate diagenetic processes, with four diagenetic patterns being established: (1) strong compaction, strong cementation, and weak dissolution-diagenesis pattern; (2) weak compaction, medium cementation, and weak dissolution-diagenesis pattern; (3) weak compaction, medium cementation, and strong dissolution-diagenesis pattern; and (4) fracture-matrix pattern. The results indicated that diagenetic processes and microfractures contribute to the variability in the cementation factors in these rock samples.
-MgAgSbLi, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; 古府 麻衣子; 中島 健次; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.
Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03
被引用回数：0 パーセンタイル：0.00(Physics, Applied)The desire for intrinsically low lattice thermal conductivity (
) in thermoelectrics motivates numerous efforts on understanding the microscopic mechanisms of heat transport in solids. Here, based on theoretical calculations, we demonstrate that -MgAgSb hosts low-energy localized phonon bands and avoided crossing of the rattler modes, which coincides with the inelastic neutron scattering result. Using the two-channel lattice dynamical approach, we find, besides the conventional contribution (70% at 300 K) from particlelike phonons propagating, the coherence contribution dominated by the wavelike tunneling of phonons accounts for 30% of total at 300 K. By considering dual contributions, our calculated room-temperature of 0.64 Wm
K well agrees with the experimental value of 0.63 WmK. More importantly, our computations give a nonstandard 
dependence, perfectly explaining the abnormal temperature-trend of 
in experiment for -MgAgSb. By molecular dynamics simulation, we reveal that the structure simultaneously has soft crystalline sublattices with the metavalent bonding and fluctuating liquid-like sublattices with thermally induced large amplitude vibrations. These diverse forms of chemical bonding arouse mixed part-crystal part-liquid state, scatter strongly heat-carrying phonons, and finally produce extremely low . The fundamental research from this study will accelerate the design of ultralow- materials for energy-conversion applications.
水野 るり恵*; 新倉 潤*; 齋藤 岳志*; 松崎 禎市郎*; 櫻井 博儀*; Amato, A.*; 浅利 駿介*; Biswas, S.*; Chiu, I.-H.; Gianluca, J.*; et al.
Nuclear Instruments and Methods in Physics Research A, 1060, p.169029_1 - 169029_14, 2024/03
被引用回数：0 パーセンタイル：0.02(Instruments & Instrumentation)We have developed a photon detection system for muonic X-ray spectroscopy. The detector system consists of high-purity germanium detectors with BGO Compton suppressors. The signals from the detectors are readout with a digital acquisition system. The absolute energy accuracy, energy and timing resolutions, photo-peak efficiency, the performance of the Compton suppressor, and high count rate durability are studied with standard -ray sources and in-beam experiment using 
Al(
)
Si resonance reaction. The detection system was demonstrated at Paul Scherrer Institute. A calibration method for a photon detector at a muon facility using muonic X-rays of 
Au and 
Bi is proposed.
Xu, Z.*; Litzinger, A.*; 佐久間 一幸; Arora, B.*; Hazenberg, P.*; Wang, L.*; Gonzalez Raymat, H.*; Fabricatore, E.*; Wainwright, Haruko*; Eddy-Dilek, C.*
Proceedings of Waste Management Symposia 2024 (WM2024) (Internet), 14 Pages, 2024/03
We leverage the Advanced Terrestrial Simulator (ATS), a comprehensive model encompassing overland flow, groundwater processes, canopy and ground evapotranspiration effects. ATS is integrated with reactive transport models, including PFLOTRAN and CrunchFlow, to capture the intricate dynamics of key nuclear-related geochemical species. The Advanced Long-term Environmental Monitoring Systems (ALTEMIS) project extends its efforts across multiple scales: 1) Watershed Scale ATS Model: At the Savannah River Site, we employ a watershed-scale ATS model to quantify the water budget and estimate evapotranspiration fluxes.; 2) Integrated Hydrology Model for Floodplains: Our integrated hydrology model zooms in on the floodplain of Fourmiles Creek, enabling quantification of upwelling groundwater fluxes into wetlands and surface ponds. It also used to assess contaminant migration into Fourmiles Creek; 3) Fully Integrated Reactive Transport Model: Focused on the F-Area seepage basin, one of the largest nuclear waste processing facilities, we develop both 2D transect and 3D basin models. These models estimate the behavior of radioactive elements such as uranium and tritium, as well as non-reactive geochemical species.; 4) Sr-90 Sorption Model: Informed by extensive Sr-90 sorption experiments on minerals and core samples, we parameterize both electrostatic and non-electrostatic sorption models for Sr-90. These models are integrated into multiple reactive transport frameworks, significantly enhancing our ability to accurately predict Sr-90 migration under varying pH conditions.
SnHuang, Z.*; Wang, W.*; Ye, H.*; Bao, S.*; Shangguan, Y.*; Liao, J.*; Cao, S.*; 梶本 亮一; 池内 和彦*; Deng, G.*; et al.
Physical Review B, 109(1), p.014434_1 - 014434_9, 2024/01
被引用回数：0 パーセンタイル：0.01(Materials Science, Multidisciplinary)TbMnSn is a correlated topological magnet with a Mn-based kagome lattice, in which a Chern gap opens at the Dirac point at low temperatures. The magnetic moment direction of the ferrimagnetic order changes from in the kagome plane to the out-of-plane upon cooling, which is essential for generating the Chern gap, but the underlying mechanism for the spin reorientation remains elusive. Here, we investigate the spin-reorientation transition in TbMnSn using neutron scattering. We provide direct evidence for the spin-reorientation transition and unveil the coexistence of two Tb modes at 200 K. To account for these results, we put forward a model based on SU(N) spin-wave theory, in which there is a temperature evolution of the ground state Tb 
orbitals, driven by the crystalline electric field, single-ion anisotropy, and exchange interactions between Tb and Mn ions. Our findings shed light on the complex magnetism of TbMnSn, despite its relatively simple ground state magnetic structure, and provide insights into the mechanisms for tuning magnetic topological materials.
Hu, Q.*; Wang, Q. M.*; Zhang, T.*; Zhao, C.*; Iltaf, K. H.*; Liu, S. Q.*; 深津 勇太
Energy Reports (Internet), 9, p.3661 - 3682, 2023/12
被引用回数：4 パーセンタイル：78.27(Energy & Fuels)This study evaluates petrophysical properties of representative geological rocks in the context of injectivity, storage space, and caprock integrity for effective utilization and long-term storage of carbon dioxide. A total of 10 geological rocks were selected as representative storage media for consideration as saline aquifers & depleted oil and gas reservoirs, basalts, and cap rocks, as well as utilization in organic-rich shale and coal seams. An integrated suite of laboratory tests, including liquid immersion porosimetry, gas expansion porosimetry, grain size distribution, mercury intrusion porosimetry, and gas diffusion, were performed on these various rock samples. The results exhibit a disparity of petrophysical properties among two broad groups of rocks: rocks selected for possible storage of CO
have porosities of 10-25%, permeabilities of 10
-10
m
, 
m-sized pore-throat size distribution, and mostly good pore connectivity; in contrast, the potential caprocks have porosities of 0.5-5%, permeabilities of 10
-10
m, pore throat sizes of 
50 nm, and probably poorly connected pore networks. An understanding of the measured facets of pore structure and contribution of fractures is also critical in the context of different testing principles and data interpretation of petrophysical analyses, as well as observational scales in the laboratory and field, and therefore reliable confidence of CO storage and utilization performance. Our work further illustrates the controlling influence of grain size distribution and geological processes on pore size distribution and pore connectivity for a wide range of rock types and lithologies, and particularly presents the extent and behavior of CO gas diffusion with a custom-designed apparatus for a holistic understanding of various petrophysical attributes of widely different geological rocks.
Wang, Y. W.*; Wang, H. H.*; Su, Y. H.; 徐 平光; 篠原 武尚
Materials Science & Engineering A, 887, p.145768_1 - 145768_13, 2023/11
被引用回数：1 パーセンタイル：44.33(Nanoscience & Nanotechnology)A unique impact fracture behavior is found in a high-Mn austenitic steel (24Mn-4Cr-0.4C-0.3Cu) in this work. The steel exhibits concurrent twinning-induced plasticity (TWIP) effect and the transformation-induced plasticity (TRIP) effect. By analyzing the load-deflection curves recorded during Charpy impact testing, the resistance to crack initiation and propagation is quantified from the absorbed energy. The high-Mn steel demonstrates good resistance to crack initiation at 273 K and 77 K. However, as the temperature decreases from 273 K to 77 K, there is an accelerated transition from stable crack growth to unstable crack growth during impact, resulting in the deterioration of resistance to crack propagation. The plastic deformation of the impact-tested samples, especially in the region close to the crack-path profile was quantitatively analyzed using neutron Bragg-edge transmission (BET) imaging. The deformation zones, divided by using the width of the 200 Bragg edge, exhibit good agreement with the impact absorbed energy characteristics obtained from dynamic load-deflection curves. Moreover, the unstable growth transition point was roughly determined on the impact-tested sample. Then, the electron backscatter diffraction (EBSD) technique is employed to examine the deformation microstructure along the crack-path in the impact-tested samples. The results revealed the dual roles of TRIP effect in impact toughness of the high-Mn steel. On one hand, the TRIP effect plays a positive role in improving resistance to crack initiation and propagation. On the other hand, the excessive accumulation of brittle /'-martensite caused by the enhanced TRIP effect at 77 K leads to quasi-cleavage fracture, thereby playing a negative role. Finally, we discussed the prominent toughening mechanisms associated with the TWIP and TRIP effects, which greatly impact the impact fracture behavior.
Ratliff, H.; McGirl, N. A.*; Beach, M. R.*; Castellanos, L. A.*; Clowdsley, M. S.*; Heilbronn, L. H.*; LaTessa, C.*; Norbury, J. W.*; Rusek, A.*; Sivertz, M.*; et al.
Nuclear Instruments and Methods in Physics Research B, 544, p.165121_1 - 165121_15, 2023/11
Experiments emulating the deep-space radiation environment within an enclosed spacecraft were conducted at the NASA Space Radiation Laboratory; this was achieved by bombarding various combinations of two consecutive thick targets with Galactic Cosmic Ray-like particle beams. While all secondary particles generated in the first of these two targets could be characterized using time-of-flight techniques, characterization of the neutrons produced in the second target, emulating the "back wall" of a spacecraft, required the development and implementation of deconvolution techniques. This work covers this methodology, its validation, and the systematic results present within this benchmark dataset of neutron yields from the secondary target.
Be ground-state molecular structure using Be(
)
He triple differential reaction cross-section measurementsLi, P. J.*; Beaumel, D.*; Lee, J.*; Assi
, M.*; Chen, S.*; Franchoo, S.*; Gibelin, J.*; Hammache, F.*; Harada, T.*; 延与 佳子*; et al.
Physical Review Letters, 131(21), p.212501_1 - 212501_7, 2023/11
Beのクラスター構造を()反応を用いて調査した。三重微分断面積が実験的に測定され、Tohsaki-Horiuchi-Schuck-R
pke波動関数の方法や反対称化分子動力学を用いた歪曲波インパルス近似計算と比較した。実験データと理論計算の顕著な一致が確認され、Beの比較的コンパクトな分子状態を確認した。
民井 淳*; Pellegri, L.*; Sderstrm, P.-A.*; Allard, D.*; Goriely, S.*; 稲倉 恒法*; Khan, E.*; 木戸 英治*; 木村 真明*; Litvinova, E.*; et al.
European Physical Journal A, 59(9), p.208_1 - 208_21, 2023/09
被引用回数：2 パーセンタイル：79.22(Physics, Nuclear)光核反応は原子核構造の観点からも応用の観点からも重要であるにも関わらず、その反応断面積は未だに不定性が大きい。近年、超高エネルギー宇宙線の起源を探るために、鉄よりも軽い原子核の光核反応断面積を正確に知る必要が指摘されている。この状況を打破するため、原子核物理の実験、理論、宇宙物理の共同研究となるPANDORAプロジェクトが始まった。本論文はその計画の概要をまとめたものである。原子核実験ではRCNP、iThembaによる仮想光子実験とELI-NPによる実光子実験などが計画されている。原子核理論では、乱雑位相近似計算、相対論的平均場理論、反対称化分子動力学、大規模殻模型計算などが計画されている。これらで得られた信頼性の高い光核反応データベースと宇宙線伝搬コードを組み合わせ、超高エネルギー宇宙線の起源の解明に挑む。
Ratliff, H.; McGirl, N. A.*; Beach, M. R.*; Castellanos, L. A.*; Clowdsley, M. S.*; Heilbronn, L. H.*; LaTessa, C.*; Norbury, J. W.*; Rusek, A.*; Sivertz, M.*; et al.
Nuclear Instruments and Methods in Physics Research B, 542, p.87 - 94, 2023/09
被引用回数：1 パーセンタイル：63.33(Instruments & Instrumentation)Experiments at the NASA Space Radiation Laboratory were performed to develop a benchmark dataset relevant to space radiation shielding scenarios by bombarding aluminum and polyethylene targets with galactic cosmic ray-like ion beams. Unique to this experiment, a dual-target configuration was used to emulate an enclosed environment in space in which the radiation environment must be characterized. Neutrons produced by interactions in both thick targets were detected and characterized; this paper discusses the neutrons produced in the most upstream of the two thick targets, detailing the role of source ion and target configuration on neutron yield.
O近藤 洋介*; Achouri, N. L.*; Al Falou, H.*; Atar, L.*; Aumann, T.*; 馬場 秀忠*; Boretzky, K.*; Caesar, C.*; Calvet, D.*; Chae, H.*; et al.
Nature, 620(7976), p.965 - 970, 2023/08
被引用回数：6 パーセンタイル：93.49(Multidisciplinary Sciences)非常に中性子が過剰な原子核Oは、陽子、中性子ともに魔法数であることから古くからその性質に興味が持たれていたが、酸素の最後の束縛核
Oよりも中性子が4個も多いため、これまで観測されてこなかった。この論文では、理化学研究所RIBFにて
Fからの1陽子ノックアウト反応によってOを生成し、そこから放出される中性子を測定することによって初めてその観測に成功した。核構造の観点からは、Oでは二重閉殻が保たれているか興味が持たれていたが、実験で得られた分光学的因子が殻模型計算で予言されて程度の大きいことから、閉殻構造をもたない可能性が高いことがわかった。
Ne at the transition into the island of inversion; Detailed structure study of NeWang, H.*; 安田 昌弘*; 近藤 洋介*; 中村 隆司*; Tostevin, J. A.*; 緒方 一介*; 大塚 孝治*; Poves, A.*; 清水 則孝*; 吉田 数貴; et al.
Physics Letters B, 843, p.138038_1 - 138038_9, 2023/08
被引用回数：2 パーセンタイル：79.22(Astronomy & Astrophysics)Neからの1中性子除去反応を用いて、Neの詳細な線分光を行った。平行運動量分布の解析に基づき、Neの準位構造とスピンパリティを決定し、初めて負のパリティ状態を同定した。測定された断面積と運動量分布から、N=20とN=28のシェルギャップの消失の証拠となる有意なintruder p-wave強度が明らかになった。束縛状態については、弱いf-waveの可能性のある強度が観測された。いくつかの有効相互作用を用いた大規模殻模型計算では、実験的に観測された大きなp-wave強度と小さなf-wave強度は再現されず、Ne同位体に沿った反転の島への遷移の完全な理論的記述への挑戦が続いていることを示している。
Ca cast doubt on a doubly magic 
CaChen, S.*; Browne, F.*; Doornenbal, P.*; Lee, J.*; Obertelli, A.*; 角田 佑介*; 大塚 孝治*; 茶園 亮樹*; Hagen, G.*; Holt, J. D.*; et al.
Physics Letters B, 843, p.138025_1 - 138025_7, 2023/08
被引用回数：1 パーセンタイル：59.27(Astronomy & Astrophysics)
Scからの1陽子ノックアウト反応を用いて、
Caと
Caのガンマ崩壊を観測した。Caでは1456(12)keVの線遷移が、Caでは1115(34)keVの遷移が観測された。どちらの遷移も暫定的に
と割り当てられた。有効核子間相互作用をわずかに修正した広い模型空間での殻模型計算では、
準位エネルギー、2中性子分離エネルギー、反応断面積が実験とよく一致し、N=34閉殻の上に新しい殻が形成されていることを裏付けた。その構成要素である
と
軌道はほぼ縮退しており、これはCaが二重魔法核である可能性を排除し、Ca同位体のドリップラインを
Caあるいはそれ以上にまで広げる可能性がある。
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：99.09(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.
Fe
intermetallic compoundCao, Y.*; Zhou, H.*; Khmelevskyi, S.*; Lin, K.*; Avdeev, M.*; Wang, C.-W.*; Wang, B.*; Hu, F.*; 加藤 健一*; 服部 高典; et al.
Chemistry of Materials, 35(8), p.3249 - 3255, 2023/04
被引用回数：1 パーセンタイル：40.78(Chemistry, Physical)静水圧や化学圧力は、結晶構造を変化させる効率的な刺激であり、材料科学において電気的、磁気的特性のチューニングによく利用されている。しかし、化学圧力は定量化が困難であり、これら両者の定量的な対応関係はまだよくわかっていない。本研究では、負の熱膨張(NTE)を持つ永久磁石の候補である金属間化合物を調べた。放射光X線その場観察により、AlをドープしたHoFeに負の化学圧力があることを明らかにし、単位セル体積の温度・圧力依存性を用いそれを定量的に評価した。また、磁化測定と中性子回折測定を組み合わせることで、磁気秩序に対する化学圧力と静水圧の違いを比較した。興味深いことに、圧力はNTEの抑制と増強を制御するために使用することができた。電子状態計算から、圧力がFermiレベル(EF)に対する主要バンドの上部に影響を与えたことを示しており、これは磁気安定性に影響を与え、それが磁気とNTEを調節する上で重要な役割を果たしていることがわかった。本研究は、圧力の影響を理解し、それを利用して機能性材料の特性を制御する良い例を示している。
