Impact of surface bond-order loss on phonon dispersion relations and thermal conductivity of cylindrical Si nanowires

A Bond-order Theory on the Phonon Scattering by Vacancies in Two-dimensional Materials

“…Bond shortening and strengthening not only raises the local density of charge, mass and energy but also deepens the local potential, providing perturbation to the local potential. This undercoordination effect raises the local energy density, or the elastic modulus, and subsequently the trap for phonon and electron transportation3233. The coordination number (CN) dependence of bond-contraction coefficient ( C z ) and bond energy ( E z ) follow the relation28, where z is the effective coordination number, d z is the bond length.…”

The effect of surface bond reconstruction of thermal contact surfaces on phonon transport in atomic wire

“…There has been numerous research works on thermal conduction in nanoscale structures due to its significance in nanoscale device designs. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15]18 In recent years, the powerful Green's function method has been used to investigate the phonon transport in nanoscale atomistic system. [10][11][12][13][14] This method provides an efficient computational way to determine various phonon transport properties such as the density of states ͑DOS͒, thermal conductance, and local heat currents.…”

“…It is then expected that the SBR near the contact surfaces modifies the thermal conductance in an atomic wire which is connected ͑by bond coupling͒ between two thermal contacts at different temperatures. In our previous paper, 15 we have studied the effect of SBR of a circular Si wire on the phonon spectrum and the thermal conductivity of the wire. We found that the SBR of a Si wire causes a decrease in phonon frequencies and an increase in thermal conductivity.…”

Thermal and Electrical Conductivities of Polycrystalline Metallic Nanofilms Based on the Kinetic Theory

“…Additionally, Stewart and Norris [25] and Lü et al [26] used the same method to study heat conduction in metallic nanowires along the axial direction. Yeung et al [27] recently modified MS model by assuming a square potential barrier with finite width and emphasized on the effect of the surface bond-order loss on electron-grain boundary scattering. The BTE, in fact, even with single relaxation time approximation, is somewhat difficult to deal with in mathematics.…”