title: Modulation of thermal conductivity in kinked silicon nanowires: phonon interchanging and pinching effects.
abstract: We perform molecular dynamics simulations to investigate the reduction of the thermal conductivity by kinks in silicon nanowires. The reduction percentage can be as high as 70% at room temperature. The temperature dependence of the reduction is also calculated. By calculating phonon polarization vectors, two mechanisms are found to be responsible for the reduced thermal conductivity: (1) the interchanging effect between the longitudinal and transverse phonon modes and (2) the pinching effect, that is, a new type of localization, for the twisting and transverse phonon modes in the kinked silicon nanowires. Our work demonstrates that the phonon interchanging and pinching effects, induced by kinking, are brand-new and effective ways in modulating heat transfer in nanowires, which enables the kinked silicon nanowires to be a promising candidate for thermoelectric materials.
authors.affiliation: Institute of Structural Mechanics, Bauhaus-University Weimar, Weimar, Germany. jinwu.jiang@uni-weimar.de
authors.forename: Jin-Wu
authors.initials: JW
authors.lastname: Jiang
authors.forename: Nuo
authors.initials: N
authors.lastname: Yang
authors.forename: Bing-Shen
authors.initials: BS
authors.lastname: Wang
authors.forename: Timon
authors.initials: T
authors.lastname: Rabczuk
mesh_terms: D005857:Germanium / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D049329:Nanostructures / Q000737:chemistry; D053770:Nanowires / Q000737:chemistry*; D060739:Phonons; D012825:Silicon / Q000737:chemistry*; D013499:Surface Properties; D013814:Thermal Conductivity
chemical_list: D005857:Germanium; D012825:Silicon