Figure 1

Geometry and molecular axis labeling of the simulated HBM model.Reuse & Permissions

Figure 2

Left: Equation of state graphs (pressure $p^{*}$ vs packing fraction $n^{*}$) for the system of HBMs with shape parameters (from top to bottom) $\nu =-0.36$, $\nu =0.06$, and $\nu =0.49$. The dotted lines indicate the phase transition pressures. Right: respective plots of the pressure dependence of the order parameters $S^z$, $S^x$, $D^{y,z}$, and/or $D^{x,y}$. The horizontal dotted line is at 0.1 and is used to guide the eye.Reuse & Permissions

Figure 3

Characteristic snapshots of system B: (a) the $N_{b-}$ at $p^{*}=4.75$, (b) the $N_{b+}$ at $p^{*}=5.04$, and (c) the Sm-$A$ at $p^{*}=5.5$.Reuse & Permissions

Figure 4

Plots of the $g_{222}\left(r\right)$ for systems with shape parameters (a) $\nu =-0.36$, (b) $\nu =0.06$, and (c) $\nu =0.49$ calculated for various pressures. The molecular axis of primary orientational ordering is identified in each case as described in the text following Eq. (4).Reuse & Permissions

Figure 5

(a) Contour maps of the calculated correlation functions at $p^{*}=4.75$ near the $N_{b-}$ border of the $N_{b-}-N_{b+}$ transition: (a) $g_0^{\widehat{x},\widehat{y}}$, (b) $g_0^{\widehat{x},\widehat{z}}$, and (c) $g_0^{\widehat{y},\widehat{z}}$. Only the top-right quadrants are shown (the other three quadrants being their symmetric mirror images). The white regions correspond to the excluded volume associated with the molecule at the origin. The dotted lines represent the respective quadrant projections of the rectangular boxes obtained from the second moments of the correlation-distribution functions described in Eq. (6).Reuse & Permissions

Figure 6

(a) Packing-fraction dependence of the reduced dimensions $L_r,W_r,\mathrm{and}{D}_r$ of the rectangular supramolecular correlation boxes for systems A with $\nu =-0.36$, B with $\nu =0.06$, C with $\nu =0.49$, and of the correlation radius of the hard-sphere fluid $R_r$. (b) Calculated variation in the supramolecular shape parameter ${\nu }_{\mathrm{supra}}$ with packing fraction for systems A–C. By the definition of ${\nu }_{\mathrm{supra}}$, its value in an ideal system coincides with the molecular shape parameter. (c) Plots of the calculated supramolecular aggregate volumes $V_r$ as a function of the packing fraction of the simulated systems A–C and of the HSs.Reuse & Permissions