Scientific journal "The News of Altai State University". 2010 #3-2(67). Chemistry.

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3-2(67)

2010

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E.Yu. Gavruseva, M.S. Zhukovsky, S.A. Beznosyuk

Modeling of Temperature Dependence of Non-equilibrium Titan Nanoparticle's Properties by Methods of Quantum Nanodynamics

Using methods of quantum nanodynamics the authors simulate non-equilibrium femtosecond self-organization of titan nanoparticles depending on thermostat temperature. For stationary non-equilibrium states of the titan nanoparticle in three forms composed of 500 and 900 atoms the analysis of dependences of bind energies, pair correlation function from temperature in the range from 0 to 300K is given.

Key words: titan nanoparticles, quantum femtosecond nanodynamics, nonequilibrium thermodynamics of nanosystem.

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