This paper develops a practical solution to the problem of the tension of curved interfaces by examining the local pressure at the center of an enclosed surface (a quantity that can be measured experimentally) using virtual mechanical deformations. ![]() ![]() Quantification of the energy of deformation of a curved surface then depends on how that surface is defined. The problem is compounded by the fact that the area of a curved molecular surface is rarely well defined, unlike the projected area of a planar interfacial system. For a spherical drop, no simple ensemble exists to keep the area constant i.e., an ensemble that would be constrained by a measurable external force. 1 For planar systems with periodic boundary conditions, the tension can be computed by examining the external force on the simulation cell necessary to keep the system at constant area, see, e.g., Refs. Evaluating the surface tension of curved interfaces from simulation presents theoretical and practical problems not encountered for planar systems.
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