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.
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28 August 2017
Research Article|
August 23 2017
Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles
Siddharth Paliwal
;
Siddharth Paliwal
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Vasileios Prymidis
;
Vasileios Prymidis
b)
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Laura Filion;
Laura Filion
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Marjolein Dijkstra
Marjolein Dijkstra
c)
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
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Siddharth Paliwal
Vasileios Prymidis
b)
Laura Filion
Marjolein Dijkstra
c)
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University
, Princetonplein 5, 3584 CC Utrecht, The Netherlands
a)
Electronic mail: [email protected]
b)
S. Paliwal and V. Prymidis contributed equally to this work.
c)
Electronic mail: [email protected]
J. Chem. Phys. 147, 084902 (2017)
Article history
Received:
June 12 2017
Accepted:
August 05 2017
Citation
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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