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Analysis of nanomaterials under high pressure
Raghuvesh Kumar and Munish Kumar
The theory of equation of state (EOS) is developed from the knowledge of thermal expansion of nanomaterials based on molecular dynamics simulations. To show the real connection with the nanomaterials, we have studied the effect of pressure on nanomaterials viz. CdSe, Fe-Cu, Ni (20 nm), γ-Fe2O3, Fe, MgO, CeO2, γ-Al2O3 (67 nm), γ-Al2O3 (37 nm), CuO, 3C-SiC, γ-Si3N4, Ni (12.4 nm), and ZnO. A critical analysis is presented by taking the different values of the pressure derivative of bulk modulus B′0 and also using the modified form of the formulation. It is concluded that the theory gives the good agreement with the experimental data for B′0 equal to four.
Keywords: Nanomaterials, High pressure, Equation of state, Thermal expansion.