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A magnetocaloric composite based on molecular coolers and carbon nanotubes with enhanced thermal conductivity

AuthorsRoubeau, Olivier; Natividad, Eva; Evangelisti, Marco; Evangelisti, Marco; Palacios, Elias
Issue Date2017
PublisherRoyal Society of Chemistry (UK)
CitationMaterials Horizons 4(3): 464-476 (2017)
AbstractIn this work we study the assisted translocation of a polymer across a membrane nanopore, inside which a molecular motor exerts a force fuelled by the hydrolysis of ATP molecules. In our model the motor switches to its active state for a fixed amount of time, while it waits for an ATP molecule which triggers the motor, during an exponentially distributed time lapse. The polymer is modelled as a beads-springs chain with both excluded volume and bending contributions, and moves in a stochastic three dimensional environment modelled with a Langevin dynamics at a fixed temperature. The resulting dynamics shows a Michaelis-Menten translocation velocity that depends on the chain flexibility. The scaling behavior of the mean translocation time with the polymer length for different bending values is also investigated.
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