Biaxial Gay-Berne liquid crystal elastomer

Skačej, Gregor (avtor)

A large-scale off-lattice Monte Carlo simulation of main-chain liquid crystal elastomers (LCE) is performed to explore the possibility of finding temperature-induced biaxial orientational ordering in such systems. The liquid-crystalline molecules of the LCE are modeled by biaxial soft-core Gay-Berne ellipsoids and embedded into a monodomain elastomer network linked together by finitely extendable nonlinear elastic (FENE) bonds. On cooling from the uniaxial nematic phase, biaxial ordering of ellipsoids is observed and is accompanied by a spontaneous biaxial elastic deformation of the sample. Biaxial orientational alignment is also reflected in the calculated deuterium magnetic resonance spectra and in the predicted scattered X-ray intensity patterns, while no major calorimetric anomaly is observed at the uniaxial-to-biaxial nematic phase transition. The long-range character of the observed biaxial phase is elucidated by calculating selected orientational correlation functions.

• Jezik: Angleški jezik
• Ključne besede: liquid crystal elastomers, biaxiality, Gay-Berne potential, Monte Carlo simulations, nuclear magnetic resonance, X-ray scattering
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FMF - Fakulteta za matematiko in fiziko
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2026
• Št. strani: 11 str.
• Številčenje: Vol. 227, iss. 2, art. e00408
• PID: 20.500.12556/RUL-178377
• UDK: 538.9
• ISSN pri članku: 1521-3935
• DOI: 10.1002/macp.202500408
• COBISS.SI-ID: 266044419
• Datum objave v RUL: 26.01.2026

Gradivo je del revije

• Naslov: Macromolecular chemistry and physics
• Skrajšan naslov: Macromol. chem. phys.
• Založnik: Wiley
• ISSN: 1521-3935
• COBISS.SI-ID: 21827333

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: tekočekristalni elastomeri, dvoosnost, Gay-Bernov potencial, simulacije Monte Carlo, jedrska magnetna resonanca, sipanje rentgenskih žarkov

Projekti

• Financer: ARIS - Javna agencija za znanstvenoraziskovalno in inovacijsko dejavnost Republike Slovenije
• Številka projekta: P1-0099
• Naslov: Fizika mehkih snovi, površin in nanostruktur