Thin Film Pressure Estimation of Argon and Water using LAMMPS

S. Yesudasan. International Journal of Engineering (IJE) 12 (1): 1 - 10 (April 2019)


In this work, we investigate the pressure and density characteristics of water film when simulated using the emerging technique called many body dissipative particle dynamics method. This work also layout the methodology of estimating local pressure from LAMMPS simulation using Harasima scheme. Using the triangular shaped cloud interpolation function, pressure and density are estimated at local bins and compared with the experimental database. Our results show good agreement for the molecular dynamics results of the argon system, while the many body dissipative particle model fails to simulate the water properties at room temperature. In its current form, the many body dissipative particle method cannot be used for accurate liquid vapor interfacial simulations and heat transfer studies.

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