Equation of state for nanomaterials from thermal expansion

Abstract

A simple thermodynamic analysis of equation of state (EOS) is discussed from the knowledge of thermal expansion of nanomaterials based on molecular dynamics simulation. The formulation is used to study the isothermal compression and pressure dependence of bulk modulus of ten nanomaterials viz. CdSe, <img src='/image/spc_char/gamma2.gif' border=0>-Fe₂O₃, Fe, <img src='/image/spc_char/gamma2.gif' border=0>-Al₂O₃, 3C-SiC, Ni, Fe filled multi-walled carbon nanotube, Ni filled multi-walled carbon nanotube and ZnO nanorod. The results obtained are found to be in good agreement with the available experimental data, which demonstrate the validity of the formulation used in the present study.

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