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- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(70)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(70)
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10000 件のレコードが見つかりました。
Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule
- ジャーナル論文
- 著者
-
Aaditya Manjanath (author) (この著者で検索)National Institute for Materials Science
;
Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
;Yoshiyuki Kawazoe (author) (この著者で検索)Kaoru Ohno (author) (この著者で検索) - キーワード
- Ni atom, quasiparticle, Koopmans’ theorem, GW approximation, CH4, photochemistry, surface hopping
- 刊行年月日
- 2024-11-05
- 更新時刻
- 2024-11-30 16:30:41 +0900
Development of a CALPHAD-coupled Phase-field Model for Predicting Microstructure Evolution in Fe–C Steels
- ジャーナル論文
- 著者
-
Takumi Morino (author) (この著者で検索)
https://orcid.org/0009-0005-0134-7713
(unauthenticated)
;
Machiko Ode (author) (この著者で検索)
;
Yusuke Matsuoka (author) (この著者で検索)
;
Shoichi Hirosawa (author) (この著者で検索)
https://orcid.org/0000-0002-6572-2552
(unauthenticated)
- キーワード
- phase field, CALPHAD, Fe–C, interstitial elements
- 刊行年月日
- 2026-04-15
- 更新時刻
- 2026-04-23 15:00:40 +0900
Probing electron-hole Coulomb correlations in the exciton landscape of a twisted semiconductor heterostructure
- ジャーナル論文
- 著者
-
;Jan Philipp Bange (author) (この著者で検索);David Schmitt (author) (この著者で検索);Wiebke Bennecke (author) (この著者で検索);Giuseppe Meneghini (author) (この著者で検索);AbdulAziz AlMutairi (author) (この著者で検索)Kenji Watanabe (author) (この著者で検索)National Institute for Materials Science
;
Takashi Taniguchi (author) (この著者で検索)National Institute for Materials Science
;
;Daniel Steil (author) (この著者で検索);Sabine Steil (author) (この著者で検索);R. Thomas Weitz (author) (この著者で検索);G. S. Matthijs Jansen (author) (この著者で検索);Stephan Hofmann (author) (この著者で検索);Samuel Brem (author) (この著者で検索);Ermin Malic (author) (この著者で検索);Marcel Reutzel (author) (この著者で検索)Stefan Mathias (author) (この著者で検索)
- キーワード
- electron-hole correlation , twisted semiconductor , time-resolved photoelectron spectroscopy
- 刊行年月日
- 2024-02-09
- 更新時刻
- 2026-02-16 16:30:07 +0900
Quasicrystals predicted and discovered by machine learning
- ジャーナル論文
- 著者
-
;Chang Liu (author) (この著者で検索);Koichi Kitahara (author) (この著者で検索);Asuka Ishikawa (author) (この著者で検索)Takanobu Hiroto (author) (この著者で検索)National Institute for Materials Science
;
Alok Singh (author) (この著者で検索)National Institute for Materials Science
;
Erina Fujita (author) (この著者で検索)National Institute for Materials Science
;
Yukari Katsura (author) (この著者で検索)National Institute for Materials Science
;
;Yuki Inada (author) (この著者で検索);Ryuji Tamura (author) (この著者で検索)Kaoru Kimura (author) (この著者で検索)National Institute for Materials Science
;
Ryo Yoshida (author) (この著者で検索)
https://orcid.org/0000-0001-8092-0162
(unauthenticated)
- キーワード
- Crystal forms, Crystal phenomena, Crystal structure, Alloys, Machine learning
- 刊行年月日
- 2023-09-25
- 更新時刻
- 2024-11-21 16:36:03 +0900
B-site substitution-induced band edge shifts in perovskite-type Cu(Nb,Ta)O3 solid solutions for visible-light-driven hydrogen evolution
- ジャーナル論文
- 著者
-
;Haocong Wang (author) (この著者で検索);Chihiro Takahashi (author) (この著者で検索);Xuemeng Guo (author) (この著者で検索);Shunya Okada (author) (この著者で検索)Hajime Suzuki (author) (この著者で検索)
https://orcid.org/0000-0002-8891-2033
(unauthenticated)
;
Daiming Tang (author) (この著者で検索)
;
Wei Yi (author) (この著者で検索)
https://orcid.org/0000-0001-5040-8416
(unauthenticated)
;
;Ikuya Yamada (author) (この著者で検索)Xiaojuan Liu (author) (この著者で検索)
https://orcid.org/0000-0002-9215-7616
(unauthenticated)
;
Ryu Abe (author) (この著者で検索)
https://orcid.org/0000-0001-8592-076X
(unauthenticated)
;
Koji Fujita (author) (この著者で検索)
https://orcid.org/0000-0002-1700-0889
(unauthenticated)
- キーワード
- hydrogen evolution, perovskite, substitution-induced band edge shifts
- 刊行年月日
- 2025-08-14
- 更新時刻
- 2025-12-12 16:30:04 +0900
Refining hydrogen-dislocation interaction model for thermally activated plasticity in Fe-Cr-Ni austenitic steels: analyzing stress-dependent activation volume
- ジャーナル論文
- 著者
-
Yuhei Ogawa (author) (この著者で検索)
;
Akinobu Shibata (author) (この著者で検索)
- キーワード
- Austenitic steel, Hydrogen, Dislocations, Thamal activation
- 刊行年月日
- 2026-01-03
- 更新時刻
- 2026-01-14 13:17:53 +0900
Surface‐Exposed Pd Nanocluster Confined within a Ring‐Shaped Polyoxometalate for Selective Hydrogenation
- ジャーナル論文
- 著者
-
;Rui Xi (author) (この著者で検索);Kentaro Yonesato (author) (この著者で検索);Takafumi Yatabe (author) (この著者で検索);Yoshihiro Koizumi (author) (この著者で検索);Soichi Kikkawa (author) (この著者で検索);Seiji Yamazoe (author) (この著者で検索)Koji Harano (author) (この著者で検索)
;
;Kazuya Yamaguchi (author) (この著者で検索)Kosuke Suzuki (author) (この著者で検索)
https://orcid.org/0000-0002-8123-1462
(unauthenticated)
- キーワード
- heterogeneous catalysis, palladium nanoclusters, polyoxometalates, selective hydrogenations
- 刊行年月日
- 2025-07-28
- 更新時刻
- 2025-10-21 16:06:30 +0900
Systematic experimental and model-based evaluation of the synergistic effects of alloy composition and damage rate on the formation of Cr-rich precipitates in Fe–Cr–Al alloys under ion irradiation
- ジャーナル論文
- 著者
-
;Y. Abe (author) (この著者で検索)T.T. Sasaki (author) (この著者で検索)National Institute for Materials Science
;
;S. Yamashita (author) (この著者で検索);N. Okubo (author) (この著者で検索)S. Ukai (author) (この著者で検索)
- キーワード
- Accident tolerant fuel cladding, Fe-Cr-Al alloys, Cr-rich precipitate, Ion irradiation, Dose rate, 3D atom probe
- 刊行年月日
- 2024-07-06
- 更新時刻
- 2025-01-06 11:05:02 +0900
Magnetothermal resistance effect in a multilayer studied via analysis of electron and lattice thermal conductivities
- ジャーナル論文
- 著者
-
Fuya Makino (author) (この著者で検索)
;
Takamasa Hirai (author) (この著者で検索)
;
Takuma Shiga (author) (この著者で検索)
https://orcid.org/0000-0002-5103-7853
(unauthenticated)
;
Hirofumi Suto (author) (この著者で検索)
;
;Hiroshi Fujihisa (author) (この著者で検索)Koichi Oyanagi (author) (この著者で検索)
https://orcid.org/0000-0001-8784-078X
(unauthenticated)
;
Satoru Kobayashi (author) (この著者で検索)
https://orcid.org/0000-0002-3545-2977
(unauthenticated)
;
Taisuke Sasaki (author) (この著者で検索)
;
;Takashi Yagi (author) (この著者で検索)Ken-ichi Uchida (author) (この著者で検索)
;
Yuya Sakuraba (author) (この著者で検索)
- キーワード
- Magnetothermal resistance, magnetic multilayer, bcc Cu
- 刊行年月日
- 2025-08-04
- 更新時刻
- 2026-01-05 09:13:33 +0900
Engineering Proton Conductive Metal–Organic Glasses Through Secondary Network Formers
- ジャーナル論文
- 著者
-
Nattapol Ma (author) (この著者で検索)National Institute for Materials Science
;
Hideka Ando (author) (この著者で検索)
https://orcid.org/0009-0004-1487-4478
(unauthenticated)
National Institute for Materials Science
;
Renzhi Ma (author) (この著者で検索)National Institute for Materials Science
;
Takashi Nakanishi (author) (この著者で検索)National Institute for Materials Science
- キーワード
- amorphous materials, coordination polymers, metal-organic frameworks, proton conductivities, secondary network formers
- 刊行年月日
- 2026-02-13
- 更新時刻
- 2026-04-21 09:00:37 +0900