Elastocaloric effect in liquid crystal elastomers from molecular simulationsSkačej, Gregor (Avtor) statistical physicsmolecular simulationselastocaloric effectliquid crystal elastomersLarge-scale molecular simulations of the elastocaloric effect in swollen monodomain main-chain liquid crystal elastomers are performed, following the so-called ‘indirect approach’ where the magnitude of the effect is extracted from the system’s equation of state connecting stress, strain and temperature. The presented isostress off-lattice Monte Carlo simulations are based on the soft-core Gay–Berne potential and predict an elastocaloric temperature increase that exceeds ~10 K upon applying an external engineering stress of 100 kPa, which results in an elastocaloric responsivity beyond ~100 K/MPa.20182018-07-10 14:42:41Neznano101891UDK: 536.91ISSN pri članku: 0267-8292DOI: 10.1080/02678292.2018.1492035COBISS_ID: 3212900OceCobissID: 1690628sl