Figure 3.

Effect of pressure on the structural and barocaloric properties of Li${}_2$B${}_{12}$H${}_{12}$ estimated with classical molecular dynamics techniques and the force field reported in work³⁸. (a) Relative volume change associated with the T-induced $\alpha \to \beta$ phase transition expressed as a function of pressure (red); volume of the $\alpha$ phase per formula unit (f.u.), $V_{\alpha }$, at the phase-transition conditions (black). (b) Isothermal entropy (red) and adiabatic temperature (black) changes associated with the barocaloric response of bulk Li${}_2$B${}_{12}$H${}_{12}$ expressed as a function of pressure.