Computation of the solid-liquid interfacial free energy in hard spheres by means of thermodynamic integration

Abstract

We used a thermodynamic integration scheme, which is specifically designed for disordered systems, to compute the interfacial free energy of the solid-liquid interface in the hard-sphere model. We separated the bulk contribution to the total free energy from the interface contribution, performed a finite-size scaling analysis and obtained for the (100)-interface $\gamma =0.591(11)k_{B}T{\sigma }^{-2}$.

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Cited by in corpus (4)

• Colloidal Hard Spheres: Triumphs, Challenges and Mysteries
• Direct calculation of the planar NaCl-aqueous solution interfacial free energy at the solubility limit
• Thermodynamic stability of hard sphere crystals in dimensions 3 through 10
• Predictions of the interfacial free energy along the coexistence line from single-state calculations