A tribological application of the coarse-grained molecular dynamics simulation and its experimental verification
作者： Deng Pan , Changxin Liu , Xiaowen Qi , Yulin Yang , Xiuhong Hao
DOI: 10.1016/J.TRIBOINT.2018.12.040
关键词:
摘要: Abstract We developed a method to simulate the polytetrafluoroethylene (PTFE) tribology by estimating molecular interaction parameters on basis of experimental verification. fitted between coarse-grained PTFE beads using iterative Boltzmann inversion and multi-centered Gaussian-based potentials. The fitting were subsequently validated comparing an all-atom model its corresponding model. A two-layer friction was then built estimated study effect normal load coefficient wear depth PTFE. simulation results showed that decreases increases as increases. Moreover, reasonability verified through experiments.
sci-hub.se 参考文章(28)
Peter R. Barry, Patrick Y. Chiu, Scott S. Perry, W. Gregory Sawyer, Susan B. Sinnott, Simon R. Phillpot, Effect of Temperature on the Friction and Wear of PTFE by Atomic-Level Simulation Tribology Letters. ,vol. 58, pp. 50- ,(2015) , 10.1007/S11249-015-0529-Y
D. Wolff, W.G. Rudd, Tabulated potentials in molecular dynamics simulations Computer Physics Communications. ,vol. 120, pp. 20- 32 ,(1999) , 10.1016/S0010-4655(99)00217-9
Zhen Zuo, Yulin Yang, Xiaowen Qi, Wenwen Su, Xiangchao Yang, Analysis of the chemical composition of the PTFE transfer film produced by sliding against Q235 carbon steel Wear. ,vol. 320, pp. 87- 93 ,(2014) , 10.1016/J.WEAR.2014.08.019
Patrick Y. Chiu, Peter R. Barry, Scott S. Perry, W. Gregory Sawyer, Simon R. Phillpot, Susan B. Sinnott, Influence of the Molecular Level Structure of Polyethylene and Polytetrafluoroethylene on Their Tribological Response Tribology Letters. ,vol. 42, pp. 193- 201 ,(2011) , 10.1007/S11249-011-9763-0
Peter R Barry, Patrick Y Chiu, Scott S Perry, W Gregory Sawyer, Simon R Phillpot, Susan B Sinnott, The effect of normal load on polytetrafluoroethylene tribology. Journal of Physics: Condensed Matter. ,vol. 21, pp. 144201- ,(2009) , 10.1088/0953-8984/21/14/144201
Samuel Beckford, Jiyu Cai, Jingyi Chen, Min Zou, Use of Au Nanoparticle-Filled PTFE Films to Produce Low-Friction and Low-Wear Surface Coatings Tribology Letters. ,vol. 56, pp. 223- 230 ,(2014) , 10.1007/S11249-014-0402-4
Steve Plimpton, Fast parallel algorithms for short-range molecular dynamics Journal of Computational Physics. ,vol. 117, pp. 1- 19 ,(1995) , 10.1006/JCPH.1995.1039
K.G. McLaren, D. Tabor, The friction and deformation properties of irradiated polytetrafluoroethylene (PTFE) Wear. ,vol. 8, pp. 3- 7 ,(1965) , 10.1016/0043-1648(65)90245-0
J. A. Harrison, C. T. White, R. J. Colton, D. W. Brenner, Molecular-dynamics simulations of atomic-scale friction of diamond surfaces Physical Review B. ,vol. 46, pp. 9700- 9708 ,(1992) , 10.1103/PHYSREVB.46.9700
Juan Manuel Urueña, Angela A. Pitenis, Kathryn L. Harris, W. Gregory Sawyer, Evolution and Wear of Fluoropolymer Transfer Films Tribology Letters. ,vol. 57, pp. 9- ,(2015) , 10.1007/S11249-014-0453-6