4 件のレコードが見つかりました。
Hydrogen embrittlement in Al–Zn–Mg alloys: Semispontaneous decohesion of precipitates
- 論文
- 著者
-
Kazuyuki Shimizu
;
Hiroyuki Toda
;
Kyosuke Hirayama
;
Hiro Fujihara
;
Tomohito Tsuru
;
Masatake Yamaguchi
;
Taisuke T. Sasaki
;
Masayuki Uesugi
;
Akihisa Takeuchi
- キーワード
- Hydrogen embrittlement, Al–Zn–Mg alloys, Aluminum alloys, X-ray tomography, First-principles calculations
- 刊行年月日
- 2025-02-18
- 更新時刻
- 2026-01-05 14:33:57 +0900
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
- 論文
- 著者
-
Takao Tsumuraya
;
Tsuyoshi Miyazaki
;
Hitoshi Seo
- 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
Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields
- 論文
- 著者
-
Atsushi Tanaka
;
Atsuki Saito
;
Takashi Murata
;
Ayako Nakata
;
Tsuyoshi Miyazaki
- キーワード
- Multi-component glass, First-principles calculations, Large-scale DFT, Classical force fields, Molecular dynamics simulations
- 刊行年月日
- 2023-11-25
- 更新時刻
- 2024-03-05 16:30:21 +0900
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
- 論文
- 著者
-
Tomoaki Kaneko
;
Yui Fujihara
;
Hiroaki Kobayashi
;
Keitaro Sodeyama
- キーワード
- Mg-battery, Cathode, Spinel Surface, Surface reconstruction, First-principles calculations
- 刊行年月日
- 2022-12-17
- 更新時刻
- 2024-01-05 22:13:50 +0900