Abstract
Cavitation erosion and corrosion commonly occur on the surface of fluid dynamic system components, mostly water hydraulic valves, causing the failure of metal parts. Coating of polytetrafluoroethylene (PTFE) on Al2O3 (010) was created by varying the chain length of polytetrafluoroethylene. Calculations were conducted by molecular dynamic (MD) simulations. This study shows that the K10 and K20 chain lengths’ mechanical properties possess negative elastic, shear, and bulk modulus values. We have found that the K10 chain length composition shows the high results of binding energy and negative bulk modulus of 6267.16 kJ/mol and −3709.54 GPa, respectively. The K10 chain length was observed to possess a higher cohesive energy density (CED) and solubility parameter of (6.885 ± 0.00076) × 109 J/m3 and (82.974 ± 0.005) (J/cm3)0.5, respectively. It was also found that increasing the chain length contributes to decreasing the binding energy and solubility parameter of PTFE/Al2O3 (010) composition. These results are vital for overcoming the repetitive regime of high compressive strength of water microjets on the valves’ material surface. Improved values of the cohesive energy density and solubility parameters imply the water’s superior hydrophobic effect.
Highlights
Polymeric materials are prevalent in nature and daily life
The results obtained in the molecular dynamic (MD) simulations and the elastic constants of each PTFE/Al2 O3 (010)
The composite attributed to K10 chain lengths of PTFE is typically a natural rubber, as seen in Figure 9e and Table 3
Summary
Polymeric materials are prevalent in nature and daily life. It has been demonstrated that composite materials with polymer matrices cover surfaces pressured with cavitation flows and abrasive pattern suspension [1]. Polymers are most widely used in applications and structures that work under such hydrodynamic fluid conditions due to the characteristics of mechanical resilience, chemical degradation, and abrasive erosion resistance. Protecting the surfaces of hydro mechanical parts that work under cavitation wear conditions, such as rotors and valves in hydraulic machines, is among such applications [1]. Molecular dynamic simulations have contributed a lot in recent years to amorphous alloy development and improvement. Several investigations have been documented into amorphous alloy forming capacity and mechanical properties using molecular dynamic simulations [2]
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