- Tytuł:
- Molecular Dynamics Simulations of Poly(dimethylsiloxane) Properties
- Autorzy:
-
Fojtíková, J.
Kalvoda, L.
Sedlák, P. - Powiązania:
- https://bibliotekanauki.pl/articles/1402106.pdf
- Data publikacji:
- 2015-10
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
31.15.xv
61.41.+e
81.05.Lg - Opis:
- Models of poly(dimethylsiloxane) (PDMS) oligomers differing in topology are defined and structure and mechanical properties of these analysed by three different theoretical approaches: the Bicerano graph method, atomistic molecular dynamics simulations and mesoscale dissipative particle dynamics. The calculations are performed within the simulation software environment Materials Studio (Accelrys Software Inc.). The obtained values of the Young and bulk modulus are juxtaposed to experimental data available for real PDMS materials and quality of the agreement discussed in relation to the theory level and simulation method applied.
- Źródło:
-
Acta Physica Polonica A; 2015, 128, 4; 637-639
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł