3 件のレコードが見つかりました。
Evaluation of Water Diffusion Confined in Epoxies: Role of Atomic Local Mobility of Polymer Chains
- 論文
- 著者
-
Yasuyuki Nakamura
;
Yuji Higuchi
;
Yoshihisa Fujii
;
Masanobu Naito
- キーワード
- Epoxy, Water, Diffusion, Mechanism, Molecular dynamics simulations, chain motion
- 刊行年月日
- 2025-05-23
- 更新時刻
- 2025-11-12 16:30:03 +0900
Reactive molecular dynamics simulation on DNA double-strand breaks induced by hydrogen elimination
- 論文
- 著者
-
Hiroaki Nakamura
;
Kento Ishiguro
;
Ayako Nakata
;
Shunsuke Usami
;
Seiki Saito
;
Susumu Fujiwara
- キーワード
- strand breaks, telomeric DNA, β-decay, Molecular dynamics simulations, reactive force field
- 刊行年月日
- 2024-12-02
- 更新時刻
- 2025-12-10 08:30:41 +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