2020年度
2020年度の成果報告 (5/7)¶
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成果の種類 |
タイトル |
著者情報 |
会議・研究会・掲載誌名称・開催日・開催地等 |
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論文等 |
SrZn2N2 as a solar absorber: Theoretical defect chemistry and synthesis by metal alloy nitridation |
Ryosuke Kikuchi, Koki Ueno, Toru Nakamura, Takahiro Kurabuchi, Yasushi Kaneko, Yu Kumagai, and Fumiyasu Oba |
Chemistry of Materials 33, 2864, April 7, 2021 |
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論文等 |
Enhancement of piezoelectric property in MgTMAlN (TM = Cr, Mo, W): First-principles study |
Kenji Hirata, Hiroshi Yamada, Masato Uehara, Sri Ayu Anggraini, Morito Akiyama |
Journal of Physics and Chemistry of Solids Volume 152, May 2021, 109913 |
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論文等 |
Significant Enhancement of Piezoelectric Response in AlN by Yb Addition |
Kenji Hirata, Yuto Mori, Hiroshi Yamada, Masato Uehara, Sri Ayu Anggraini, Morito Akiyama |
Materials 2021, 14(2), 309; https://doi.org/10.3390/ma14020309 |
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論文等 |
ScAlNにおける自発分極の第一原理計算 |
古田紘雅、平田研二、Anggraini Sri Ayu、秋山守人、上原雅人、山田浩志 |
日本セラミックス協会九州支部2020 年度秋季研究発表会 2020年11月14日 オンライン開催 |
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論文等 |
Changes in Surface Oxygen Vacancy Formation Energy at Metal/Oxide Perimeter Sites: A Systematic Study on Metal Nanoparticles Deposited on an In2O3(111) Support |
Yoyo Hinuma, Takashi Toyao, Nobutsugu Hamamoto, Motoshi Takao, Ken-ichi Shimizu, Takashi Kamachi |
J. Phys. Chem. C 2020, 124, 50, 27621?27630 |
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論文等 |
Frontier molecular orbital based analysis of solid?adsorbate interactions over Group 13 metal oxide surfaces |
Chong Liu, Yuxin Li, Motoshi Takao, Takashi Toyao, Zen Maeno, Takashi Kamachi, Yoyo Hinuma, Ichigaku Takigawa, Ken-ichi Shimizu |
J. Phys. Chem. C 2020, 124, 28, 15355?15365 |
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論文等 |
Surface Oxygen Vacancy Formation Energy Calculations in 34 Orientations of β-Ga2O3 and θ-Al2O3 |
Yoyo Hinuma, Takashi Kamachi, Nobutsugu Hamamoto, Motoshi Takao, Takashi Toyao, and Ken-ichi Shimizu |
J. Phys. Chem. C 2020, 124, 19, 10509?10522 |
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論文等 |
Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations |
Akira Takahashi, Yu Kumagai, Jun Miyamoto, Yasuhide Mochizuki, and Fumiyasu Oba |
Physical Review Materials 4, 103801, October 9, 2020 |
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論文等 |
光エネルギー変換応用を目的とした3元系亜鉛窒化物の第一原理計算による物性予測と合成 |
菊地 諒介、上野 航輝、中村 透、藏渕 孝浩、金子 泰、熊谷 悠、大場 史康 |
第40回電子材料研究討論会、2020年11月12日～13日、オンライン開催 |
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論文等 |
光電変換材料への応用を目的としたSrZn2N2の第一原理計算による物性予測と合成 |
菊地 諒介、上野 航輝、中村 透、藏渕 孝浩、金子 泰、熊谷 悠、大場 史康 |
第30回日本MRS年次大会、2020年12月9日～11日、オンライン開催 |
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論文等 |
A Frontier Molecular Orbital Based Analysis of Solid-Adsorbate Interactions over Group 13 Metal Oxide Surfaces |
Chong Liu, Yuxin Li, Motoshi Takao, Takashi Toyao, Zen Maeno, Takashi Kamachi, Yoyo Hinuma, Ichigaku Takigawa, and Ken-ichi Shimizu |
J. Phys. Chem. C 2020, 124, 28, 15355?15365 |
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論文等 |
Mechanistic insights into the oxidation of copper(I) species during NH3?SCR over Cu-CHA zeolites: A DFT study |
Chong Liu, Hiroe Kubota, Takashi Toyao, Zen Maeno, Ken-ichi Shimizu |
Catalysis Science & Technology, 2020, 10, 3586-3593 |
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論文等 |
Isolated Indium-hydrides in CHA Zeolites: Speciation and Catalysis for Non-oxidative Dehydrogenation of Ethane |
Zen Maeno, Shunsaku Yasumura, Xiaopeng Wu, Mengwen Huang, Chong Liu, Takashi Toyao, Ken-Ichi Shimizu |
Journal of the American Chemical Society, 2020, 142, 4820-4832 |
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論文等 |
Formation and Reactions of NH4NO3 during Transient and Steady-state NH3?SCR of NOx over H-AFX Zeolites: Spectroscopic and Theoretical Studies |
Hiroe Kubota, Chong Liu, Takashi Toyao, Zen Maeno, Masaru Ogura, Naoto Nakazawa, Satoshi Inagaki, Yoshihiro Kubota, Ken-Ichi Shimizu |
ACS Catalysis, 2020, 10, 2334-2344 |
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論文等 |
Promotional Effect of La in the Three-Way Catalysis of La-Loaded Al2O3- Supported Pd Catalysts (Pd/La/Al2O3) |
Yuan Jing, Zhengxu Cai, Chong Liu, Takashi Toyao, Zen Maeno, Hiroyuki Asakura, Satoru Hiwasa, Shuhei Nagaoka, Hiroshi Kondoh, Ken-Ichi Shimizu |
ACS Catalysis, 2020, 10, 1010-1023 |
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論文等 |
A CHA zeolite supported Ga-oxo cluster for partial oxidation of CH4 at room temperature |
Shunsaku Yasumura, Mengwen Huang, Xiaopeng Wu, Chong Liu, Takashi Toyao, Zen Maeno, Ken-ichi Shimizu |
Catalysis Today, 2020, 352, 118-126 |
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論文等 |
Thermodynamic assessment of the Al?Sc?N ternary system and phase-separated region of the strained wurtzite phase |
K.Hirata, K.Shobu, H.Yamada, M.Uehara, S.A.Anggraini, M.Akiyama |
Journal of the European Ceramic Society https://doi.org/10.1016/j.jeurceramsoc.2020.06.047 |
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論文等 |
Surface Oxygen Vacancy Formation Energy Calculations in 34 Orientations of β-Ga2O3 and θ-Al2O3 |
Yoyo Hinuma, Takashi Kamachi, Nobutsugu Hamamoto, Motoshi Takao, Takashi Toyao, and Ken-ichi Shimizu |
J. Phys. Chem. C 2020, 124, 19, 10509?10522 https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c00994 |
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論文等 |
Environmental impact of amino acids on the release of selenate immobilized in hydrotalcite: Integrated interpretation of experimental and density-functional theory study |
M. Wang, H. Akamatsu, I. Dabo, K. Sasaki |
Chemosphere 274, 129927 (2021). DOI: 10.1016/j.chemosphere.2021.129927 |
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論文等 |
Antiferroelectricity and robust dielectric response owing to competing polar and antipolar instabilities in tetragonal tungsten bronze K 2 R Nb 5 O 15 (R: rare-earth) |
Tomoki Murata, Hirofumi Akamatsu, Daisuke Hirai, Fumiyasu Oba, and Sakyo Hirose |
Phys. Rev. Materials 4, 104419 ? Published 29 October 2020 DOI:https://doi.org/10.1103/PhysRevMaterials.4.104419 |
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論文等 |
Single-component conductors based on closed-shell Ni and Pt bis(dithiolene) complexes: metallization under high pressure |
H. Hachem, H-B Cui, T. Tsumuraya, R. Kato, O. Jeannin, M. Fourmigue, and D. Lorcy |
J. Mater. Chem. C, 8, 11581 (2020) |
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論文等 |
Electronic correlation and geometrical frustration in molecular solids: A systematic ab initio study of β’?X[Pd(dmit)2]2 |
T. Misawa, K. Yoshimi, and T. Tsumuraya |
Phys. Rev. Research, 2, 32072 (2020) |
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論文等 |
First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor α-(BETS)2I3 |
Takao Tsumuraya and Yoshikazu Suzumura |
Eur. Phys. J. B, 96, 17 (2020) |
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論文等 |
Ambient-pressure Dirac electron system in the quasi-two-dimensional molecular conductor α?(BETS)2I3 |
Shunsuke Kitou, Takao Tsumuraya, Hikaru Sawahata, Fumiyuki Ishii, Ko-ichi Hiraki, Toshikazu Nakamura, Naoyuki Katayama, and Hiroshi Sawa |
Phys. Rev. B 103 35135 (2021) |
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論文等 |
Modelling and Crystal Plasticity Analysis for the Mechanical Response of Alloys with Non-Uniformly Distributed Secondary Particles |
Y. OKUYAMA, M. TANAKA, T. OHASHI, T. MORIKAWA |
ISIJ International 60 (2020), 1819. |
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論文等 |
Mechanism Behind the Onset of Delamination in Wire-Drawn Pearlitic Steels |
M. TANAKA, T. MANABE, T. MORIKAWA, K. HIGASHIDA |
ISIJ International 60 (2020), 2596. |
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論文等 |
Prediction of shear thickening of particle suspensions in viscoelastic fluids by direct numerical simulation |
Matsuoka, Y., Nakayama, Y., & Kajiwara, T. |
Journal of Fluid Mechanics, 913, A38. (2021). doi: 10.1017/jfm.2021.5 |
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論文等 |
直接数値計算による粘弾性流体－粒子分散系の Shear-thickening現象に関する研究 |
松岡佑樹 |
学位論文 九州大学大学院 工学府物質プロセス工学専攻 2021年3月 |
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論文等 |
Investigation of the Effect of an Anisotropy-Resolving Subgrid-Scale Model on Budgets of the Reynolds Stresses |
Ken-ichi ABE |
Proceedings of 11th International Symposium on Turbulence and Shear Flow Phenomena, Southampton, Paper No. P21, 2019. |
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論文等 |
On the Role of Anisotropic Term in Subgrid-scale Model for Enhancing Energy Spectrum in High-wavenumber Region |
Ken-ichi ABE |
Proceedings of The 72nd Annual Meeting of the APS Division of Fluid Dynamics, Seattle, Paper No. B19.06, 2019. |
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論文等 |
Notable Effect of the Subgrid-Scale Stress Anisotropy on Mean-Velocity Prediction through Budget of the Grid-Scale Reynolds-Shear Stress |
Ken-ichi ABE |
Physics of Fluids, Vol. 31, 105103 (DOI: 10.1063/1.5121528), 2019. |
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論文等 |
Performance of a Hybrid LES/RANS Model Combined with a Wall Function for Predicting Quite High Reynolds-number Turbulent Channel Flows up to Re_tau = 6x10**7 |
Ken-ichi ABE |
Journal of Thermal Science and Technology, Vol. 15, Paper No.19-00653 (DOI: 10.1299/jtst.2020jtst0014), 2020. |
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論文等 |
機械学習を利用したSGS応力の予測精度向上に関する一考察 |
廣渡 祥太，木原 尚，安倍 賢一 |
第３４回数値流体力学シンポジウム，A04-1，2019. |
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論文等 |
モード内周波数特性を考慮した固有直交分解によるチャネル乱流内速度場の詳細考察 |
渡部 峻佑，木原 尚，安倍 賢一 |
第３４回数値流体力学シンポジウム，F06-2，2019. |
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論文等 |
Sweeping Jet Actuatorによる遷音速乱流境界層はく離の制御に関する数値解析的研究 |
岸本 尚貴，木原 尚，安倍 賢一 |
2020年度衝撃波シンポジウム, 2B3-1, 2021. |
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論文等 |
アーク加熱風洞内流れにおける電子数密度の予測精度向上に関する数値解析的研究 |
三浦 健太郎，木原 尚，安倍 賢一 |
2020年度衝撃波シンポジウム, 3B4-1, 2021. |
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論文等 |
Analysis of plasma detachment in the magnetic thrust chamber using full particle-in-cell simulation |
Tomihiko Kojima, Taichi Morita, Naoji Yamamoto |
High Energy Density Physics, Volume 36,2020,100814 |
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論文等 |
Numerical analysis on a conical shaped target for laser fusion rocket |
Toru Yamamura, Masafumi Edamoto, Tomihiko Kojima, Taichi Morita, Naoji Yamamoto, Atsushi Sunahara, Tomoyuki Johzaki, Hideki Nakashima |
High Energy Density Physics, Volume 37,2020,100894 |
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論文等 |
Numerical simulations on propane/oxygen detonation in a narrow channel using a detailed chemical mechanism: formation and detailed structure of irregular cells |
N.Takeshima, K. Ozawa, N. Tsuboi, A.K. Hayashi, Y. Morii |
Shock Waves, Published: 19 December 2020 https://link.springer.com/article/10.1007/s00193-020-00978-5 |
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論文等 |
The Solubility of N-Acetyl Amino Acid Amides in Organic Acid and Alcohol Solutions: Mechanistic Insight into Structural Protein Solubilization ? |
Atsushi Hirano, Momoyo Wada, Takehiro K. Sato, Tomoshi Kameda |
International Journal of Biological Macromolecules |