20.500.12556/RUL-156284 Barocaloric effect in a Gay-Berne liquid crystal A coarse-grained molecular Monte Carlo simulation of the barocaloric effect in a model Gay-Berne liquid crystal is presented, following the so-called indirect approach wherein the caloric response is obtained from thermodynamic arguments applied to the simulated equilibrium relation between pressure, density, and temperature. From simulation, the magnitude of the effect across the isotropic-nematic and nematic-smectic phase transitions is estimated, together with the heat exchanged outside these transitions, in order to assess its potential for novel cooling and heat pumping applications. Under adiabatic conditions, pressure-induced phase transitions are predicted to result in a temperature variation of a few degrees Kelvin. As a by-product of the simulation, an approximate partial phase diagram of the Gay-Berne fluid under study is also obtained. liquid crystals thermodynamics barocaloric effect tekoči kristali termodinamika barokalorični pojav true false true Angleški jezik Slovenski jezik Članek v reviji 2024-05-17 08:46:34 2024-05-17 08:46:34 2024-05-18 04:07:14 0000-00-00 00:00:00 2024 0 0 Str. L052701-1-L052701-6 iss. 5 Vol. 109 2024 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 2024-01-01 536:538.9 2470-0045 10.1103/PhysRevE.109.L052701 195642627 gb_bcal_v5.pdf gb_bcal_v5.pdf 1 25F947B0E1615310614B646915BC1C1B 23533d91b9f5b1c93d5aabe1714df689f3cc5ab7d4ea9bcd40f0cdab24458e6c 12074bb4-141a-11ef-832b-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=183663 https://journals.aps.org/pre/abstract/10.1103/PhysRevE.109.L052701 0 1b6f62e4-141a-11ef-832b-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=183664 Fakulteta za matematiko in fiziko 0 0 0