Lattice Heat Capacity of Nanostructured Materials Based on Titanium/Zirconium and Aluminum

Resumo

The dynamic and thermal properties of nanostructured materials based on aluminum with the periodic inclusions of Ti or Zr clusters have been investigated by the method of molecular dynamics. The elastic moduli, spectral vibrational densities of states, and temperature dependences of heat capacity for different Ti–Al and Zr–Al systems have been obtained. The effect of specific features of the phonon spectrum on the heat capacity of the nanocomposite lattice has been examined. It is shown that the ordering type and size of Ti/Zr clusters in the aluminum matrix significantly affect the elastic properties and heat capacity. The results obtained can be used for fabricating new aluminum-, titanium-, and zirconium-based composites with the desired properties.