Molecular Dynamics Study of Anti-Wear Erosion and Corrosion Protection of PTFE/Al2O3 (010) Coating Composite in Water Hydraulic Valves
Molecular Dynamics Study of Anti-Wear Erosion and Corrosion Protection of PTFE/Al2O3 (010) Coating Composite in Water Hydraulic Valves
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水液压阀PTFE/Al2O3(010)涂层复合材料抗磨蚀和腐蚀防护的分子动力学研究
DOI：
10.3390/coatings10121214
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发表时间：
2020-12
期刊：
影响因子：
3.4
通讯作者：
Wang Haihang
中科院分区：
文献类型：
--
作者：
Mlela Masoud Kamoleka;Xu He;Wang Haihang
空蚀和腐蚀通常发生在流体动力系统部件的表面，主要是水压阀，造成金属部件的失效。通过改变聚四氟乙烯的链长，在Al_2O_3(010)表面制备了聚四氟乙烯(PTFE)涂层。计算采用分子动力学(MD)模拟。研究表明，K10和K20链长的力学性能具有负的弹性模量值、剪切模量值和体积模量值。结果表明，K10链长组成具有较高的结合能和负体弹性系数，分别为6267.16 kJ/m o l和-3709.54 Gpa。K10链长具有较高的结合能密度和溶解度参数，分别为(6.885+/-0.00076)×10(9)J/m(3)和(82.974+/-0.005)(J/cm(3))(0.5)。研究还发现，增加链长有助于降低PTFE/Al_2O_3(010)复合材料的结合能和溶解度参数。这些结果对于克服水微射流在阀门材料表面的高抗压强度的重复状态至关重要。结合能密度和溶解度参数的改善值表明水具有优越的疏水效果。
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) x 10(9) J/m(3) and (82.974 +/- 0.005) (J/cm(3))(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.
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影响因子：
8.8
作者：
Biye Chen;J. O’Mahony
通讯作者：
Biye Chen;J. O’Mahony
DOI：
10.1179/imtr.1986.31.1.1
发表时间：
1986-01
期刊：
International Metals Reviews
影响因子：
--
作者：
A. Karimi;J. Martín
通讯作者：
A. Karimi;J. Martín
影响因子：
2.9
作者：
Yun-Che Wang;R. Lakes
通讯作者：
Yun-Che Wang;R. Lakes
影响因子：
3.4
作者：
Mlela, Masoud Kamoleka;Xu, He;Madenge, Gabriel Donald
通讯作者：
Madenge, Gabriel Donald
影响因子：
0.8
作者：
L. Micu;I. Lazăr;A. Cîrciumaru;I. Bordeasu;L. Pîrvulescu;M. Hluscu
通讯作者：
L. Micu;I. Lazăr;A. Cîrciumaru;I. Bordeasu;L. Pîrvulescu;M. Hluscu