Supercomputer Aided Analysis of Polymer Nano-composites by X-ray Scattering Analysis and Large-scale Coarse-grained MD Simulations
-
- HAGITA Katsumi
- Department of Applied Phsyics, National Defense Academy of JAPAN
この論文をさがす
抄録
We demonstrated supercomputer-aided analysis of polymer nanocomposites, which are polymer networks filled with nanoparticles, by X-ray scattering analysis and coarse-grained molecular dynamics (cgMD) simulations. We performed large-scale cgMD simulations with about 10M particles and 10M bonds for three different morphologies of 512 nanoparticles in order to show that the behaviors of stress-strain relations largely depend on the morphologies of the nanoparticles. In addition, we presented a reverse Monte Carlo modelling method for ultra-small-angle X-ray scattering (USAXS) data of nanoparticles. For reported USAXS experimental data for the nanoparticles in “modified” or “non-modified” polymers at BL19B2 of SPring-8, we estimated 3d configurations of 4M nanoparticles. We found that a difference in degrees of nanoparticle aggregations can be seen.
収録刊行物
-
- 日本画像学会誌
-
日本画像学会誌 54 (6), 570-577, 2015
一般社団法人 日本画像学会
- Tweet
キーワード
詳細情報 詳細情報について
-
- CRID
- 1390282679075608960
-
- NII論文ID
- 130005129631
-
- NII書誌ID
- AA1137305X
-
- ISSN
- 18804675
- 13444425
-
- NDL書誌ID
- 026984898
-
- 本文言語コード
- en
-
- データソース種別
-
- JaLC
- NDL
- CiNii Articles
- Crossref
-
- 抄録ライセンスフラグ
- 使用不可