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The diffusion phenomenon occurring between copper and indium was investigated by molecular dynamics simulations. The calculations were carried out in various temperatures in aging domain with the use of the commercially available Materials Studio v.6. software. The results showed that the intermetallic compound (IMC) growth followed the parabolic law, which indicated this growth to be mainly controlled by volume diffusion. The growth activation energy was estimated at 7.48 kJ·mol −1 .

Current paper focuses on the influence of chiral vector on thermal conductivity of carbon nanotubes. The nonequilibrium molecular dynamic technique was implemented in commercially available software. The eleven single-walled CNTs of various chirality (from zigzag to armchair) was investigated. Moreover, the influence of length on CNTs thermal conductivity was examined.

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