Intrinsic Fluid Interfaces and Non-Locality

E.M. Fernández, E. Chacón, P. Tarazona, A.O. Parry, C. Rascón,  Physical Review Letters 111 096104 (2014)

Supplementary Material

We present results of an extensive Molecular Dynamics simulation of the structure and fluctuations of a liquid-gas interface, close to its triple point, in a system with cut-off Lennard-Jones interactions. The equilibrium density profile, averaged and (shape dependent) constrained intrinsic density profiles together with the fluctuations of the interfacial shape are extracted using an Intrinsic Sampling Method. The correlation between fluctuations in the interfacial shape and in the intrinsic density show that the latter is not due to rigid translations of some underlying profile, as is most commonly assumed. Instead, over the whole range of wavelengths from the system size down to the molecular diameter, we see wave-vector dependent behaviour in good agreement with a non-local interfacial Hamiltonian theory specifying the shape dependence of the intrinsic profiles.

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