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2363 件のレコードが見つかりました。
Effect of surface vacancy defects on the phonon thermal transport across GaN/diamond interface
- ジャーナル論文
- 著者
-
Kongping Wu (author) (この著者で検索)
https://orcid.org/0000-0001-5672-7610
(unauthenticated)
;
;Renxiang Cheng (author) (この著者で検索);Leng Zhang (author) (この著者で検索);Wenxiu Wang (author) (この著者で検索);Fangzhen Li (author) (この著者で検索)Meiyong Liao (author) (この著者で検索)
- キーワード
- diamond, heat spreader, GaN, calculation
- 刊行年月日
- 2024-12-19
- 更新時刻
- 2025-04-22 08:30:20 +0900
First-principles calculations on the spin anomalous Hall effect of ferromagnetic alloys
- ジャーナル論文
- 著者
-
Yoshio Miura (author) (この著者で検索)National Institute for Materials Science
;
Keisuke Masuda (author) (この著者で検索)
- キーワード
- Density of states, Fermi surface, Magnetotransport, Spin-orbit coupling, Spintronics
- 刊行年月日
- 2021-10-29
- 更新時刻
- 2024-01-05 22:13:50 +0900
Calculations of Electron Inelastic Mean Free Paths for 31 Materials
- ジャーナル論文
- 著者
-
Tanuma, S. (author) (この著者で検索)National Bureau of Standards
;
;Powell, C. J. (author) (この著者で検索)National Bureau of StandardsPenn, D. R. (author) (この著者で検索)National Bureau of Standards
- キーワード
- IMFP, inelastic mean free path, Bethe equation, TPP, elemental solids
- 刊行年月日
- 2004-09-15
- 更新時刻
- 2023-06-09 15:50:37 +0900
Effectiveness of fluorine termination at nitrogen vacancies inside gallium nitride crystals based on first-principles calculations
- ジャーナル論文
- 著者
-
Yuki Fujishiro (author) (この著者で検索)
https://orcid.org/0009-0006-7436-2911
(unauthenticated)
;
Tomoe Yayama (author) (この著者で検索)
https://orcid.org/0000-0002-5708-8723
(unauthenticated)
;
Takahiro Nagata (author) (この著者で検索)
;
Toyohiro Chikyow (author) (この著者で検索)
;
Fumiko Akagi (author) (この著者で検索)
https://orcid.org/0000-0003-4934-8465
(unauthenticated)
- キーワード
- Gallium nitride, First-principles calculations, Fluorine termination, Nitrogen vacancies
- 刊行年月日
- 2026-02-28
- 更新時刻
- 2026-04-03 10:13:47 +0900
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
- ジャーナル論文
- 著者
-
Toshiyuki Koyama (author) (この著者で検索)
https://orcid.org/0000-0001-7424-4858
(unauthenticated)
;
Yusuke Matsuoka (author) (この著者で検索)
;
Akimitsu Ishii (author) (この著者で検索)
- キーワード
- generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-02-08 08:30:08 +0900
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
- ジャーナル論文
- 著者
-
Takao Tsumuraya (author) (この著者で検索)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
;
Tsuyoshi Miyazaki (author) (この著者で検索)
;
Hitoshi Seo (author) (この著者で検索)
- キーワード
- First-principles calculations, Density Functional Theory, Molecular Conductors, Strongly Correlated Systems
- 刊行年月日
- 2024-12-15
- 更新時刻
- 2024-11-21 16:30:38 +0900
Calculations of Electron Inelastic Mean Free Paths IV. Evaluation of calculated IMFPs and of the predictive IMFP formula TPP-2 for electron energies between 50 and 2000 eV
- ジャーナル論文
- 著者
-
Tanuma, S. (author) (この著者で検索)
;
;Powell, C. J. (author) (この著者で検索)NISTPenn, D. R. (author) (この著者で検索)NIST
- キーワード
- IMFP, predictive IMFP formula TPP-2, Evaluations of TPP-2 formula
- 刊行年月日
- 2004-09-15
- 更新時刻
- 2023-11-07 15:36:26 +0900
Efficient calculation of unbiased atomic forces in ab initio variational Monte Carlo
- ジャーナル論文
- 著者
-
Kousuke Nakano (author) (この著者で検索)National Institute for Materials Science
;
;Michele Casula (author) (この著者で検索)Giacomo Tenti (author) (この著者で検索)
- キーワード
- 第一原理量子モンテカルロ法, 変分量子モンテカルロ法, 力の計算, 機械学習力場
- 刊行年月日
- 2024-05-28
- 更新時刻
- 2024-08-19 12:30:22 +0900
Calculations of Electron Inelastic Mean Free Paths (IMFPs). XIV. Calculated IMFPs for LiF and Si3N4 and Development of an Improved Predictive IMFP Formula
- ジャーナル論文
- 著者
-
;Jablonski, Aleksander (author) (この著者で検索)Polish Academy of Sciences Institute of Physical ChemistryTanuma, Shigeo (author) (この著者で検索)National Institute for Materials Science 技術開発・共用部門
;
Powell, C. Cedric (author) (この著者で検索)
https://orcid.org/0000-0001-8990-2286
(unauthenticated)
National Institute of Standards and Technology Associate, Materials Measurement Science Division
- キーワード
- IMFP, electron inelastic mean free path, Improved Predictive IMFP Formula, JTP equation, TPP-2M
- 刊行年月日
- 2023-05-20
- 更新時刻
- 2024-01-05 22:13:23 +0900