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• W2018049624 abstract "The influence of flexible walls on the self-diffusion of ${mathrm{CH}}_{4}$ in an isolated single walled carbon nanotube, as an example, is studied by molecular dynamics simulations. By simulating the carbon nanotube as a flexible framework we demonstrate that the flexibility has a crucial influence on self-diffusion at low loadings. We show how this influence can be incorporated in a simulation of a rigid nanotube by using a Lowe-Andersen thermostat which works on interface-fluid collisions. The reproduction of the results of a flexible carbon nanotube by a rigid nanotube simulation is excellent." @default.
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• W2018049624 date "2005-07-18" @default.
• W2018049624 modified "2023-10-18" @default.
• W2018049624 title "Understanding the Loading Dependence of Self-Diffusion in Carbon Nanotubes" @default.
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• W2018049624 doi "https://doi.org/10.1103/physrevlett.95.044501" @default.
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