Molecular Dynamics Simulation of Sliding Friction Between Crystalline Cotton Fiber and Cr

Friction Properties of Crystalline Cellulose Sliding on Chromium under Water Lubrication Based on Molecular Dynamics Simulations

“…All of the simulations are performed by Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), which is an open-source code for MD simulation, and then the software OVITO is used for visualization . The interactions among different atoms are described by the reactive force field (ReaxFF) developed by Shin et al, which is in agreement with Yan et al , and Fan et al…”

“…6 However, parts with chrome coating still have a high friction in contact with cotton, which can cause serious wear after a long period of work time. 7,8 Friction and wear must be avoided or reduced because they cause serious damage to machine parts and then bring serious economic losses. 4,5 One of the important ways to reduce friction and wear is to use lubricants, 9−11 which can significantly reduce the friction and wear between sliding objects.…”

A molecular dynamics study on water lubrication of amorphous cotton fiber sliding against chromium

“…All the simulations were done by the large-scale atomic/molecular massively parallel simulator (LAMMPS) which is an open-source coding for MD simulation [53]. The interactions among atoms are evaluated by the reactive force field (ReaxFF) developed by Shin et al [54] which is agreement with YanZhe et al [5,6] investigated the dry friction between Cr and cotton fiber. The ReaxFF allows for bonds to break and form during the simulation and the connectivity is determined by bond orders calculated from interatomic distances.…”

“…With the growth of the global population, the demand for cotton is increasing and it has become white gold [2]. However, in the process of picking to making textiles, there will be friction with machine parts of different materials, and these frictions will lead to wear and damage to machine parts [3][4][5][6]. Improving the wear resistance of surface is an important way to extend the service life of parts, the chromium (Cr) is often used as a surface coating material for metal parts because of its high hardness, heat resistance, wear resistance and strength [7].…”

“…In addition, many researches have conducted to investigate the properties of cellulose via MD simulation [26][27][28][29][30][31][32][33][34][35][36], which is helpful in further understanding the cellulose characteristics. YanZhe et al [5,6] studied the dry friction between cellulose and Cr and the results showed that serious damage to Cr due to the friction force and the coefficient of friction (COF) are too large. Both of the friction force and COF needed to be greatly reduced to protect Cr and prolong its service life, an effective way is using the lubricants, such as oil, water, ionic liquids and other aqueous lubricants [37][38][39].…”