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Started from the four types 13-atom high-symmetric (Ih, Oh, D5h, D3h) close-packed structures and by replacing a 3d transition metal atom in the nonequivalent position, the geometrical and electronic properties of the doped Al12X (X = Sc-Zn) clusters are systematically studied by using the density-functional theory. Close-packed (icosahedral-like) structures are found to be favorable for the ground state geometries and the degenerate isomers of Al12X (X = Sc, Ti, V, Ni, Cu) clusters. The magnetic moments of the doped Al12X (X = Cr, Mn and Fe) are substantially increased as compared with that of the pure Al13, which are mainly derived from the strong spin splitting of the d electrons of the doped atoms. For the absorption of H, O and N on the close-packed Al12X clusters, it is found that H atom tend to occupy the top or bridge site instead of the hollow site, but the adsorption sites of O and N atom are more complex. O and N are always adsorbed around the doped atom of the doped cluster with the doped atom on the surface and the adsorption energies of O and N on the doped clusters are all enhanced as compared with that on pure Al13, but it is quite different for the adsorption of H, which implies that the influences of the d electrons of the doped atoms on O and N are stronger than that on H. All doped clusters exhibit the same selective sequence of adsorption: O > N > H.

In this study, multi‐source data, especially weather radar data, were used in the analysis of structural features and evolution of a squall line‐like rainband (SLLR) of a linear mesoscale convective system (MCS) in the eastern slope of the Taihang Mountains on 12 and 13 August 2018 and reached the following conclusions: (a) The SLLR, located in north of the linear MCS, exhibited a significant horizontal gradient of reflectivity and large vertical extension. The front‐to‐rear flow that appeared between the surface and the stratosphere was lifted upward immediately in front of a cold pool that formed rearward‐tilting updrafts. (b) As the SLLR passed over, surface meteorological quantities changed drastically, coinciding with the heavy precipitation. (c) The SLLR, when propagating northeastward, showed a complex convective development of sequential intensification, weakening, and re‐intensification within a 2.5‐hr period. The temporal intensification was related not only to the development of a low‐level rear‐inflow jet but also to the dynamic interaction between the vertical environmental wind shear and the cold pool. The lifted rear‐inflow jet, which formed over a vertically stacked horizontal vorticity couplet behind the leading edge, provides a reasonable explanation for the intensification of the SLLR, resulting in the reduction of the cold pool circulation and enhancement of the convective updraft. Topographic forcing might play a crucial role in the re‐intensification of the SLLR, which suggests the importance of the cold pool and topography in structural features and convective evolution of the squall line‐like rain bands.

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ARTICLES YOU MAY BE INTERESTED INMolecular dynamical simulations of melting behaviors of metal clusters AIP Advances 5, 047129 (2015); https://doi