Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence

2001 ◽  
Vol 115 (19) ◽  
pp. 8967-8977 ◽  
Author(s):  
M. P. Moody ◽  
P. Attard
Keyword(s):  
Surface Tension ◽  
Lennard Jones

scholarly journals Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles

2017 ◽  
Vol 147 (8) ◽  
pp. 084902 ◽  
Author(s):  
Siddharth Paliwal ◽  
Vasileios Prymidis ◽  
Laura Filion ◽  
Marjolein Dijkstra
Keyword(s):  
Surface Tension ◽  
Liquid Interface ◽  
Equilibrium Surface ◽  
Lennard Jones ◽  
Equilibrium Surface Tension ◽  
Non Equilibrium

Surface Tension Evaluation Via Thermodynamic Analysis of Statistical Data From Molecular Dynamics Simulations

Volume 4 ◽  
2004 ◽  
Author(s):  
Aaron P. Wemhoff ◽  
Van P. Carey
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Density Profile ◽  
Md Simulation ◽  
Md Simulations ◽  
Bulk Liquid ◽  
Interfacial Region ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones

Surface tension determination of liquid-vapor interfaces of polyatomic fluids using traditional methods has shown to be difficult due to the requirement of evaluating complex intermolecular potentials. However, analytical techniques have recently been developed that determine surface tension solely by means of the characteristics of the interfacial region between the bulk liquid and vapor regions. A post-simulation application of the excess free energy density integration (EFEDI) method was used for analysis of the resultant density profile of molecular dynamics (MD) simulations of argon using a simple Lennard-Jones potential and diatomic nitrogen using a two-center Lennard-Jones potential. MD simulations were also run for an approximation of nitrogen using the simple Lennard-Jones potential. In each MD simulation, a liquid film was initialized between vapor regions and NVE-type simulations were run to equilibrium. The simulation domain was divided into bins across the interfacial region for fluid density collection, and the resultant interfacial region density profile was used for surface tension evaluation. Application of the EFEDI method to these MD simulation results exhibited good approximations to surface tension as a function of temperature for both a simple and complex potential.

A thermodynamically consistent determination of surface tension of small Lennard-Jones clusters from simulation and theory

2010 ◽  
Vol 133 (4) ◽  
pp. 044704 ◽  
Author(s):  
Jan Julin ◽  
Ismo Napari ◽  
Joonas Merikanto ◽  
Hanna Vehkamäki
Keyword(s):  
Surface Tension ◽  
Lennard Jones

Tail corrections to the surface tension of a Lennard-Jones liquid-vapour interface

1995 ◽  
Vol 85 (3) ◽  
pp. 665-669 ◽  
Author(s):  
E.M. Blokhuis ◽  
D. Bedeaux ◽  
C.D. Holcomb ◽  
J.A. Zollweg
Keyword(s):  
Surface Tension ◽  
Lennard Jones
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