Polona Aupič (Author), Tilen Potisk (Author), Daniel Svenšek (Author), Gregor Skačej (Author)

Abstract

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.

Keywords

molekulske simulacije;molekulska dinamika;tekoči kristali;elektrokalorični pojav;molecular simulations;molecular dynamics;liquid crystals;electrocaloric effect;

Data

Language: English
Year of publishing:
Typology: 1.01 - Original Scientific Article
Organization: UL FMF - Faculty of Mathematics and Physics
UDC: 536.91
COBISS: 243741955 Link will open in a new window
ISSN: 0021-9606
Views: 111
Downloads: 59
Average score: 0 (0 votes)
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Other data

Secondary language: Slovenian
Secondary keywords: molekulske simulacije;molekulska dinamika;tekoči kristali;elektrokalorični pojav;
Type (COBISS): Article
Pages: 044902-1-044902-7
Volume: ǂVol. ǂ163
Issue: ǂiss. ǂ4
Chronology: Jul. 2025
DOI: 10.1063/5.0287354
ID: 26875284