Klemenz, A.A.KlemenzMayrhofer, L.L.MayrhoferLenczowski, B.B.LenczowskiMoseler, M.M.Moseler2022-03-062022-03-062021https://publica.fraunhofer.de/handle/publica/26994710.1103/PhysRevMaterials.5.086001Thermal conductivities of single- and double-wall carbon nanotubes in contact with foreign atoms on their surfaces are investigated by means of molecular dynamics simulations. Small amounts of atoms on the surfaces of single-wall nanotubes drastically reduce their thermal conductivity, while the conductivities of the inner walls of double-wall nanotubes which are only weakly coupled to the outer walls are retained even for large amounts of atoms on the surfaces. Based on the simulation results, an estimation for the conditions under which an enhancement of thermal conductivities can be expected is presented.enatomsmolecular dynamicmultiwalled carbon nanotubes (MWCN)nanotubeUncontrolled TermsDouble wall carbon nanotubedouble wall nanotubeenhanced thermal conductivityforeign atomsInner wallsLarge amountsmolecular dynamics simulationssingle wall nanotubes620journal article