Abstract

The present study proposes a thermomechanical surface contact finite element formulation for studying interfacial heat conductance in correlation to micromechanical contact forces. The proposed methodology is applied for modeling heat surface conductivity of Carbon Nanotubes (CNT). The atomic lattice of CNTs is initially modeled using the molecular structural mechanics approach and reduced to an equivalent 2D continuum element. The equivalent 2D continuum element is used as a robust and efficient surrogate model for the construction of full length CNTs in contact. Coupled structural and heat pde’s have been used to describe the corresponding thermomechanical problem which are discretized using 2D quadrilateral finite elements, along with surface contact elements based on the Node to Node and Node to Segment formulations. The problem has been treated as a nonlinear steady state problem and solved in the frame of a Newton-Raphson incremental-iterative scheme. Extensive sensitivity analysis was performed with respect to several influencing parameters, such as initial contact angle, boundary conditions and CNT overlapping. Based on this analysis, the effect of overlapping and approaching angle on the total heat exchange was quantified. It has been demonstrated that in most cases, increasing the total contact force can produce an almost linear increase in heat exchange. However, in cases of small approaching angles between CNTs an extensive contact force could heavily deform the contacting geometries producing a non-linear heat exchange mechanism.

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