Comparing four hard-sphere approximations for the low-temperature WCA melting line

Abstract

By combining interface-pinning simulations with numerical integration of the Clausius-Clapeyron equation we determine accurately the melting-line coexistence pressure and fluid/crystal densities of the Weeks-Chandler-Andersen (WCA) system covering four decades of temperature. The data are used for comparing the melting-line predictions of the Boltzmann, Andersen-Weeks-Chandler, Barker-Henderson, and Stillinger hard-sphere approximations. The Andersen-Weeks-Chandler and the Barker-Henderson theories give the most accurate predictions, and they both work excellently in the zero-temperature limit for which analytical expressions are derived here.

12 pages, 9 figures

References in corpus (10)

• Accurate determination of crystal structures based on averaged local bond order parameters
• A repulsive reference potential reproducing the dynamics of a liquid with attractions
• The role of attractive forces in viscous liquids
• Constant pressure and temperature discrete-time Langevin molecular dynamics
• Structural and Thermodynamic Properties of Hard-Sphere Fluids
• Do the repulsive and attractive pair forces play separate roles for the physics of liquids?
• Role of attractive forces in the relaxation dynamics of supercooled liquids
• An extreme case of density scaling: The Weeks-Chandler-Andersen system at low temperatures
• How attractive and repulsive interactions affect structure ordering and dynamics of glass-forming liquids?
• The role of the attractive forces in a supercooled liquid

Cited by in corpus (6)

• Colloidal Hard Spheres: Triumphs, Challenges and Mysteries
• Freezing density scaling of transport coefficients in the Weeks-Chandler-Andersen fluid
• Understanding Dynamics in Coarse-Grained Models: V. Extension of Coarse-Grained Dynamics Theory to Non-Hard Sphere Systems
• Fast event-driven simulations for soft spheres: from dynamics to Laves phase nucleation
• Comparing zero-parameter theories for the WCA and harmonic-repulsive melting lines
• Theory of Generalized Hertzian Hyperspheres