Journal of Multiscale Modelling

Current carrying capacity is one of the elements that hinders further miniaturization of Copper (Cu) interconnects. Therefore, there is a need to propose new materials with higher ampacity (current carrying capacity) that have the potential to replace Cu. Experimental observations have shown that Carbon Nanotube (CNT)/Cu-composite material has a hundredfold ampacity of Cu, which makes it a good candidate to replace Cu. However, sufficient information about the mechanical behavior of the novel CNT/Cu-composite is not available. In the current paper, the CNT/Cu-composite is utilized to construct Through Silicon Via (TSV). The mechanical behavior, specifically the fatigue life, of the CNT/Cu–TSV is evaluated by applying a multiscale modeling approach. Molecular Dynamics (MD) simulations are conducted to evaluate the tensile strength and the coefficient of thermal expansion of CNTs. MD simulation is also used to determine the interface behavior between CNTs and Cu. MD simulation results are integrated into Finite Element analysis at the micro-level to estimate the fatigue life of the CNT/Cu–TSV. A comparison is made with base material; Cu. CNTs addition has redistributed the plastic deformation in Cu to occur at two different locations (Si/Cu interface and Cu/CNT interface) instead of only one location (Si/Cu interface) in the case of Cu-only-TSV. Thus, the maximum equivalent plastic strain has been alleviated in the CNT/Cu–TSV. Accordingly, CNT/Cu–TSV has shown a threefold increase in the fatigue life. This is a solid indication of the improvement in the fatigue life that is attributed to the addition of CNTs.

A mathematical model based on Pennes bio-heat equation was formulated to estimate temperature profiles at peripheral regions of human body. The heat processes due to diffusion, perfusion and metabolic pathways were considered to establish the second-order partial differential equation together with initial and boundary conditions. The model was solved using eigenvalue method and the numerical values of the physiological parameters were used to understand the thermal disturbance on the biological tissues. The results were illustrated at atmospheric temperatures $T_A=10^{\circ }$C and $20^{\circ }$C.

The effects of microstructure, grain and grain boundary (GB) properties on predicted damage paths and indicative crack propagation direction have been examined for a polycrystalline material using mesoscale finite element simulations. Numerical analyses were carried out on a compact tension specimen geometry containing granular mesh structures with random grain shapes and sizes of average diameter 100$\mu$m. Nanoindentation tests were performed to investigate the dependency of mesoscale hardness measurements on the indentation location with respect to grain and GB regions. Finite element results have shown that under tensile loading conditions, the predicted damage paths are very sensitive to the granular mesh structure, GB properties and individual grain properties. Furthermore, finite element results have revealed that the cracking mode (i.e., transgranular/intergranular) and maximum crack deviation angle are strongly dependent on the material microstructures employed in simulations.