SLO: Predstavljene bodo obsežne Monte Carlo simulacije polidomenskih tekočih kristalnih elastomerov (LCE) --- polimerne mreže z vgrajenimi enotami tekočega kristala. Cilj študije je omogočiti vpogled v prehode polidomenskim LCE v monodomenske na mikroskopsko ravni, ki se sproži z enosmernim vlečenjem, in reproducirati tako imenovani mehko plateu v ustrezni napetosti krivulji. Več računskih vidikov, kot sta paralelizacija kode in molekularni posnetek razpravljali bodo tudi o vizualizaciji, pa tudi o prevodu obširnih rezultatov simulacije v izbrane eksperimentalne opazljivke.
ENG: Large-scale Monte Carlo simulations of polydomain liquid crystal elastomers (LCE)
--- polymeric networks with embedded liquid-crystaline units --- will be presented. The aim of the study is to provide microscopic-level insight into the polydomain-to-monodomain transition in LCE invoked by undirectional pulling, and to reproduce the so-called soft plateau in the corresponding stress-strain curve. Several computational aspects like code parallelization and molecular snapshot visualization will also be discussed, as well as the translation of the extensive simulation output into selected experimental observables.
Organizer
Author
- Gregor Skačej, Univerza v Ljubljani, Fakulteta za matematiko in fiziko
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