Atomistic Simulation of Properties of Ultra-thin Layer of Liquid Argon Compressed Between Diamond Surfaces

Authors A.V. Khomenko , D.V. Boyko , M.V. Zakharov, K.P. Khomenko, Ya.V. Khyzhnya

Sumy State University, 2, Rimsky Korsakov St., 40007 Sumy, Ukraine

Issue Volume 8, Year 2016, Number 1
Dates Received 04 January 2016; revised manuscript received 11 March 2016; published online 15 March 2016
Citation A.V. Khomenko, D.V. Boyko, M.V. Zakharov, et al., J. Nano- Electron. Phys. 8 No 1, 01028 (2016)
DOI 10.21272/jnep.8(1).01028
PACS Number(s) 46.55. + d, 61.20.Ja, 61.20.Ne, 61.30.Hn, 68.35.Af, 81.40.Pq
Keywords Molecular dynamics, Tribology, Boundary friction, Ultrathin argon film, Computer experiment, Interatomic interaction potential.

Using the method of classical molecular dynamics we investigate the properties of ultrathin film of liquid argon, which consists of one or two layers of molecules and is confined by two atomically smooth crystalline diamond surfaces. The aim of the research is validating the use of rigid surfaces and one of the available models of the argon molecule. We study the behavior of the equilibrium and dynamic characteristics of the system. It is shown that at increasing external load the transition of film in the solid-like state occurs, which is indicated by the behavior of the velocity autocorrelation function of argon molecules, reduction of the magnitude of the diffusion coefficient and the shear viscosity increase. The organization of molecules in layers and the presence of their in-plane ordering are revealed. The dependences of the kinetic friction force on time and load are obtained. The results are compared with experimental data.