20.500.12556/RUL-170981 External field-induced caloric effects in liquid crystals from molecular simulation In the search for alternative, environmentally friendly refrigeration technologies, caloric effects play an important role. Over the past years, liquid crystals have emerged as promising caloric materials. Here, we present a molecular simulation study of the electrocaloric and magnetocaloric effect in liquid crystals exhibiting a nematic–isotropic phase transition. The indirect approach for determining the caloric response is used in combination with molecular dynamics simulations based on the Gay–Berne model. The simulations confirm that the largest response is present at temperatures just above the phase transition and predict the magnitude of the electrocaloric response to be ∼1.6 kJ/kg for an applied electric field of 1600 kV/cm. A much weaker magnetocaloric response is predicted, ∼0.4 kJ/kg for an applied magnetic field of 200 T, indicating that electric fields are much more promising for use in applications than magnetic fields. molecular simulations molecular dynamics liquid crystals electrocaloric effect molekulske simulacije molekulska dinamika tekoči kristali elektrokalorični pojav true false true Angleški jezik Slovenski jezik Članek v reviji 2025-07-24 14:19:37 2025-07-24 14:19:38 2025-07-25 04:07:35 0000-00-00 00:00:00 2025 0 0 044902-1-044902-7 iss. 4 Vol. 163 Jul. 2025 0000-00-00 PostprintKoncna Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 536.91 0021-9606 10.1063/5.0287354 243741955 JCP25-AR-02455-accepted.pdf JCP25-AR-02455-accepted.pdf 1 AD5373FB8FAACEFD60D54823AC1658BA 3024584237a1d34761820ce4ef015737c9266179371bad2d1a554f746498d949 47d7fcf1-688a-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=213296 https://pubs.aip.org/aip/jcp/article/163/4/044902/3355584/External-field-induced-caloric-effects-in-liquid 0 bc1310eb-6888-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=213290 Fakulteta za matematiko in fiziko 0 0 0