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JOURNALS // Chemical Physics and Mesoscopics // Archive

CPM, 2016 Volume 18, Issue 4, Pages 634–640 (Mi chphm317)

Applicabitity of the nongrid smoothed particles hydrodynamics method for modelling the process of isolation of the probes of electrochemical STM

A. V. Tyurikov, E. I. Shelkovnikov, B. L. Zhuikov, S. R. Kiznertsev

Institute of Mechanics, Ural Branch of the Russian Academy of Sciences, Izhevsk, Russian

Abstract: In the paper questions of application of the nongrid smoothed particles hydrodynamics method for a process of modeling the insulation of the electrochemical STM probe tip with an apiezone L are considered. The methods of a hydrodynamics based on grid computation were popular within last decades, but in case of simulation of processes in systems with the changing boundaries and the free surface the decision based on a grid isn't optimum. Such the process, in particular, is insulation of probe tip for electrochemical STM which is irreplaceable means of a research of surfaces which are in solutions of electrolytes with resolution close to atomic. Feature of such microscope is the additional processing of probes consisting in their insulation by nonconducting viscous liquid material for preventing Faraday currents from their surface which complicate receiving atomic resolution on the STM-topographies. The small tip of the probe must remain uninsulated for a possibility of registration of a tunnel current. In the paper features of smoothed particles hydrodynamics method and its difference from classical grid methods are described. Its advantages in case of simulation of liquids with the free boundaries and variable viscosity and surface tension are also shown for researches of processes of formation of probe tip of the electrochemical STM. The specialized program using the modern graphics adapter and DirectCompute technologies is developed for carrying out a computer experiment. The analysis showed that when carrying out the experiments on the bench with the GeForce GTX 960 GPU accelerator, productivity gain reached several of orders in comparison with the version on the central processor.

Keywords: the electrochemical scanning tunnel microscope, the probe, an insulation, nongrid smoothed particles hydrodynamics method.

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