Influence of external load on the frictional characteristics of rotary model using a molecular dynamics approach

Shi, Wei; Luo, Xiaohui; Zhang, Zuti; Liu, Yinshui; Lu, Wenlong

doi:10.1016/j.commatsci.2016.05.031

Cited by 16 publications

(6 citation statements)

References 30 publications

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“…Three-dimensional molecular dynamics simulations have been conducted on the top layer cartilage–cartilage atomistic model using LAMMPS, an open-source MD code developed by the Sandia National Laboratory . LAMMPS is a potential tool for conducting molecular-scale simulations for metal, polymers, and biomolecules and investigating frictional behavior at the interface of materials − and is a preferred choice for large-scale MD simulations with accuracy in measurement of forces. , All-atom simulations are conducted using the CHARMM27 potential function considering a nonbonded force cutoff of 13 Å for van der Waals and Coulombic interactions to model the force interaction between the atoms . The CHARMM27 potential function used to simulate the intra and interatomic forces comprises two components: U INTER for nonbonded interactions and U INTRA for simulating the bonded interactions.…”

Section: Methodology and Frameworkmentioning

confidence: 99%

Effect of Loading on the Adhesion and Frictional Characteristics of Top Layer Articular Cartilage Nanoscale Contact: A Molecular Dynamics Study

2020

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Articular cartilage is a water-lubricated naturally occurring biological interface imparting unique mechanical and ultralow frictional properties in bone joints. Although the material of cartilage, synovial fluid composition, and their lubricating modes and properties have been extensively investigated at various scales experimentally, there is still a lack of understanding of load bearing, adhesion, and friction mechanisms of the cartilage−cartilage interface from an atomistic perspective under heavy loads. In this study, the effect of loading on adhesion and frictional behavior in articular cartilage is investigated with a proposed atomistic model for top layer cartilage−cartilage contact in unhydrated conditions using molecular dynamics (MD) simulations. Pull-off tests reveal that cohesive interactions occur at the interface due to formation of heavily interpenetrated atomistic sites leading to stretching and localized pulling of fragments during sliding. Sliding tests show that friction is load-and direction-dependent with the coefficient of friction (COF) obtained in the range of 0.20−0.75 at the interface for sliding in parallel and perpendicular directions to the collagen axis. These values are in good agreement with earlier nanoscale experimental results reported for the top layer cartilage−cartilage interface. The COF reduces with an increase in load and tends to be higher for the parallel sliding case than for the perpendicular case owing to the presence of the constant number of H-bonds. Overall, this work contributes toward understanding sliding in unhydrated biointerfaces, which is the precursor of wear, and provides insights into implant research.

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Section: Methodology and Frameworkmentioning

confidence: 99%

Effect of Loading on the Adhesion and Frictional Characteristics of Top Layer Articular Cartilage Nanoscale Contact: A Molecular Dynamics Study

2020

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“…As can be seen from Figure 9(a), in oil, the friction torque of CuNiAl is higher than that of TiCN coating at 43 N and 86 N, while the opposite occurs at 106 N. There suggests that the friction torque was affected by both the initial surface conditions and the generated wear debris [35][36][37]. In oil and at low normal loads, little debris was produced so the initial surface condition played a more important role.…”

Section: Friction Behaviormentioning

confidence: 95%

Torsional Fretting Wear Behavior of PVD TiCN Coated CuNiAl Blade Bearing in Oil and Artificial Seawater

Zhang

Wang

2019

Coatings

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The feasibility of alleviating torsional fretting wear of the blade bearing by preparing PVD TiCN coating was studied. The results show that the friction torque was highly influenced by the wear debris acting as the solid lubricant. The TiCN coating reduced the wear volume by 97.6% and 62.3% in oil and artificial seawater, respectively, which was mainly due to an increase in surface hardness. In oil, the produced sulfates and phosphates prevent seizures between the friction pair and the worn surface was characterized by polishing wear. In artificial seawater, the wear mechanism was a combination of mechanical wear and corrosion wear. This study reveals that the TiCN coating is suitable for alleviation of fretting wear in the blade bearing.

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“…where D 0 , is a parameter determined by the cohesive energy, α is the elastic modulus, r is the dynamic distance and r 0 is the equilibrium distance. In addition, the values of D 0 , α, r and r 0 are 0.087eV, 5.14, 2.05Å [25], [26]. Three steps, including relaxation step, indentation step and sliding step, are adopted to realize the MD simulation.…”

Section: B Molecular Dynamicsmentioning

confidence: 99%

Effect of Diamond Nanoparticle on the Friction Property of Sliding Friction Pair With Molecular Dynamics Simulation

2019

Self Cite

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Effect of the diamond nanoparticle on the friction property of the sliding friction pair is investigated using the molecular dynamics simulation. A molecular dynamics simulation model without the diamond nanoparticle is also set up. The simulation is conducted at an external load of 60 nN. The results confirm that adding diamond nanoparticle can improve the friction property. With increasing the diameter, the angular velocity, and the indentation depth decrease inversely. Also, when the diameter varies from 32.13 Å to 49.98 Å, the friction force, and the contact area are both inversely proportional to 3.6 power of the diameter. The relationship between friction force and contact area shows a linear increase law, which indicates that friction force is affected by the contact area.

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Influence of external load on the frictional characteristics of rotary model using a molecular dynamics approach

Cited by 16 publications

References 30 publications

Effect of Loading on the Adhesion and Frictional Characteristics of Top Layer Articular Cartilage Nanoscale Contact: A Molecular Dynamics Study

Effect of Loading on the Adhesion and Frictional Characteristics of Top Layer Articular Cartilage Nanoscale Contact: A Molecular Dynamics Study

Torsional Fretting Wear Behavior of PVD TiCN Coated CuNiAl Blade Bearing in Oil and Artificial Seawater

Effect of Diamond Nanoparticle on the Friction Property of Sliding Friction Pair With Molecular Dynamics Simulation

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