Comparison among the pair potential of models A and B, u A and u B, respectively, and the actual overlapping volume V 0 between two spherocylinders in three cases, where L/D = 7 is used. See main text for more details.
Statistical inefficiency of the orientational order parameter g S in RE and nPT simulations (without RE) as a function of the dimensionless pressure βD 3 P for model B with L/D = 7 and ε = 2.
(a) Ensemble average of the dimensionless density ⟨ρ⟩ and (b) that of the orientational order parameter ⟨S⟩ as functions of pressure for model B with L/D = 7 and ε = 2.
Isothermal compressibility κ T and constant-pressure heat capacity C P as functions of pressure for model B with L/D = 7 and ε = 2.
(a) Re-weighted two-dimensional histogram p b (ρ, S|P*) and (b) re-weighted one-dimensional histograms p b (ρ|P*), and at the transition pressure βD 3 P* = 1.123. (c) Pressure-dependence of the Gibbs free energy difference per particle between the two phases, βΔG/n, and its three components. All results are for model B with L/D = 7 and ε = 2. The vertical line in (a) marks ⟨S⟩ (P*), and that in (c) marks P*.
Phase diagram and S N for (a) model A and (b) model B with L/D = 7.
Transition pressure βD 3 P* for models A and B with L/D = 7.
Phase diagrams for models A and B with ε = 2.
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