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- W1986693568 abstract "Using molecular dynamics (MD) simulation method we have investigated the desorption of nitrogen N2 molecules from fullerite matrix composed of rigid C60 molecules. The process of escaping (desorption) of N2 from fullerite is monitored as a function of temperature. The temperature evolution of the radial distribution functions, mean square displacements and velocity autocorrelation functions were calculated, both for N2 and C60 molecules. We have found that the fullerene-nitrogen mixture is stable up to the temperature T≃1400 K and that a substantial part of the doping N2 molecules is able to escape from the fullerene environment, the rest remain trapped inside the fullerene cages." @default.
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- W1986693568 date "1999-05-01" @default.
- W1986693568 modified "2023-09-24" @default.
- W1986693568 title "A molecular dynamics study of nitrogen desorption from fullerite" @default.
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- W1986693568 doi "https://doi.org/10.1016/s0022-2860(98)00708-x" @default.
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