title: Thermal conductivity of molecular chains with asymmetric potentials of pair interactions.
abstract: We provide molecular-dynamics simulation of heat transport in one-dimensional molecular chains with different interparticle pair potentials. We show that the thermal conductivity is finite in the thermodynamic limit in chains with the potentials that allow for bond dissociation. The Lennard-Jones, Morse, and Coulomb potentials are such potentials. The convergence of the thermal conductivity is provided by phonon scattering on the locally strongly stretched loose interatomic bonds at low temperature and by the many-particle scattering at high temperature. On the other hand, chains with a confining pair potential, which does not allow for bond dissociation, possess anomalous thermal conductivity, diverging with the chain length. We emphasize that chains with a symmetric or asymmetric Fermi-Pasta-Ulam potential or with combined potentials, containing a parabolic and/or a quartic confining potential, all exhibit anomalous heat transport.
authors.affiliation: Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow 119991, Russia.
authors.forename: Alexander V
authors.initials: AV
authors.lastname: Savin
authors.affiliation: Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow 119991, Russia and Laboratoire d'Energétique Moléculaire et Macroscopique, CNRS UPR 288, Ecole Centrale Paris, Grande Voie des Vignes, 92295 Châtenay-Malabry, France.
authors.forename: Yuriy A
authors.initials: YA
authors.lastname: Kosevich