**Effect of Cutoff Radius on the Surface Tension of Nanoscale Bubbles**

IA Cosden and JR Lukes, JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME, 133, 101501 (2011).

DOI: 10.1115/1.4004167

Molecular dynamics simulations are performed to calculate the surface
tension of bubbles formed in a metastable Lennard-Jones (LJ) argon
fluid. The calculated normal and transverse pressure components are used
to compute a surface tension which is compared to the surface tension
computed from the Young-Laplace equation. Curvature effects on surface
tension are investigated by performing various sized simulations ranging
from 6912 to 256,000 LJ particles. The computed surface tension values
differ depending on the calculation method for the smaller systems
studied but the methods converge as the system size increases. Surface
tension calculations on small bubbles may not be appropriate since the
liquid farthest from the interface has yet to achieve the pressure
profile of a homogeneous fluid. Density profiles, pressures, and
calculated surface tensions are shown to have a strong dependence on the
choice of the interaction cutoff radius. A cutoff radius of 8 sigma,
significantly larger than that commonly used in the literature, is
recommended for accurate calculations in liquid-vapor systems. **DOI:
10.1115/1.4004167**

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