We study a three-dimensional system of self-propelled Brownian particles interacting via the Lennard-Jones potential. Using Brownian dynamics simulations in an elongated simulation box, we investigate the steady states of vapour-liquid phase coexistence of active Lennard-Jones particles with planar interfaces. We measure the normal and tangential components of the pressure tensor along the direction perpendicular to the interface and verify mechanical equilibrium of the two coexisting phases. In addition, we determine the non-equilibrium interfacial tension by integrating the difference of the normal and tangential components of the pressure tensor and show that the surface tension as a function of strength of particle attractions is well fitted by simple power laws. Finally, we measure the interfacial stiffness using capillary wave theory and the equipartition theorem and find a simple linear relation between surface tension and interfacial stiffness with a proportionality constant characterized by an effective temperature.
Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles
Siddharth Paliwal, Vasileios Prymidis, Laura Filion, Marjolein Dijkstra; Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles. J. Chem. Phys. 28 August 2017; 147 (8): 084902. https://doi.org/10.1063/1.4989764
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