Dynamics and Friction in Double Walled Carbon Nanotubes

TL;DR

This thesis investigates the microscopic origins of friction in double walled carbon nanotubes using statistical mechanics and molecular dynamics, revealing linear velocity dependence, resonance effects, and temperature influence on friction.

Contribution

It develops analytical models based on Langevin equations validated by molecular dynamics, providing new insights into the dependence of friction on velocity, contact area, temperature, and vibrational modes.

Findings

Friction increases linearly with sliding and angular velocities until non-linear effects occur.

Resonant friction phenomena significantly enhance dissipation at specific vibrational modes.

Friction is proportional to contact area and increases with temperature.

Abstract

The goal of this PhD thesis was to characterize the properties of friction in nanotubes and from a more general point of view the understanding of the microscopic origin of friction. Indeed, the relative simplicity of the system allows us to interpret more easily the physical phenomenon observed than in larger systems. In order to achieve this goal, non-equilibrium statistical mechanics permitted first to develop models based on Langevin equations describing the dynamics of rotation and translation in double walled nanotubes. The molecular dynamics simulations then permitted to validate these analytical models, and thus to study general properties of friction such as the dependence on area of contact, temperature and the geometry of the nanotubes. The results obtained shows that friction increases linearly with the sliding velocity or the angular velocity until very high values beyond which non-linearities appear enhancing dissipation. In the linear regime, it is shown that the proportionality factor between the dynamic friction force and the velocity is given by the time integral of the autocorrelation function of the restoring force for the sliding friction and of the torque for the rotational friction. Furthermore, a novel resonant friction phenomenon increasing significantly dissipation was observed for the sliding motion in certain types of nanotubes. The effect arises at sliding velocities corresponding to certain vibrational modes of the nanotubes. When the dynamics is described by the linear friction in velocity, the empirical law stating that friction is proportional to the area of contact is very well verified thanks to the molecular dynamics simulations. On the other hand, friction increases with temperature.