Molecular Dynamics Investigation of Polytetrafluoroethylene Coating on Al2O3/Cr2O3/Ti2O3 for Cavitation Erosion Mitigation in Water Hydraulics Valves

EasyChair Preprint no. 1944

Abstract

Impairment caused by cavitation erosion and abrasive wear in valves is a significant problem for water hydraulic machinery in both underwater and industrial application. Material chemistry plays a major role in eliminating this cavitation erosion phenomenon. A Coating study of polytetrafluoroethylene (PTFE) on (1 0 0), (0 1 0) and (0 0 1) surface of  Al₂O₃, Cr₂O₃ and Ti₂O₃ using molecular dynamics (MD) simulation that was conducted by Materials Studio (MS) discover code under similar initial conditions. PTFE layer was set on the cleaved planes (1 0 0) and (0 1 0) was more likely absorbed firmly on the surface of Al₂O₃ powder than that of Cr₂O₃ and Ti₂O₃ simply because of the binding energy of PTFE/Al₂O₃ being larger than that of PTFE/Cr₂O₃ and PTFE/Ti₂O₃. It has been studied that the composite coating of the PTFE on the (0 1 0) surface of Al₂O₃  became harder compared with PTFE/Al₂O₃ cleaved along (1 0 0) plane and PTFE/Cr₂O₃ cleaved along (0 0 1) plane in the magnitude order of 3188.006 > 1882.626 >1364.538 kJ/mol. The PTFE interacts mainly through electrostatic force in all (1 0 0), (0 1 0) and (0 0 1) surface of Al₂O₃. Meanwhile, it was observed that the PTFE adsorbed mainly with the use of electrostatic force on (1 0 0), (0 0 1) surface of Cr₂O₃, and (0 1 0) surface of Cr₂O₃ dominated by Van der Waals’force. In this work, concluded that the greater the binding energy the higher the hardness that mighty absorbs bubbles’ imploding energies, hence mitigating the valve cavitation damage at a certain threshold value.

Keyphrases: binding energy, Cavitation erosion, coating, erosion resistance, Hardness, molecular dynamics, Water Hydraulics

@Booklet{EasyChair:1944,
  author = {Masoud Kamoleka Mlela and He Xu and Haihang Wang and Vishwanath Pooneeth},
  title = {Molecular Dynamics Investigation of Polytetrafluoroethylene Coating on Al2O3/Cr2O3/Ti2O3 for Cavitation Erosion  Mitigation in Water Hydraulics Valves},
  howpublished = {EasyChair Preprint no. 1944},

  year = {EasyChair, 2019}}