Simulation of heat transport in low-dimensional oscillator lattices

The study of heat transport in low-dimensional oscillator lattices presents a formidable challenge. Theoretical efforts have been made trying to reveal the underlying mechanism of diversified heat transport behaviors. In lack of a unified rigorous treatment, approximate theories often may embody controversial predictions. It is therefore of ultimate importance that one can rely on numerical simulations in the investigation of heat transfer processes in low-dimensional lattices. The simulation of heat transport using the non-equilibrium heat bath method and the Green-Kubo method will be introduced. It is found that one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D) momentum-conserving nonlinear lattices display power-law divergent, logarithmic divergent and constant thermal conductivities, respectively. Next, a novel diffusion method is also introduced. The heat diffusion theory connects the energy diffusion and heat conduction in a straightforward manner. This enables one to use the diffusion method to investigate the objective of heat transport. In addition, it contains fundamental information about the heat transport process which cannot readily be gathered otherwise.Comment: Article published in: Thermal transport in low dimensions: From statistical physics to nanoscale heat transfer, S. Lepri, ed. Lecture Notes in Physics, vol. 921, pp. 239 - 274, Springer-Verlag, Berlin, Heidelberg, New York (2016

Synthesis, characterization and structure of mononuclear cobalt(III) carbonato complexes containing a tailored tetradentate amine as an end-capping ligand

Two hexacoordinated mononuclear compounds of the type [Co(L)(CO3)]ClO4/PF6 (1/2) [L = N,N'-bis(3-aminopropyl)-1,2-ethanediamine] have been synthesized and characterized using microanalytical, spectroscopic and other physicochemical results. Single crystal X-ray structural analysis shows that the metal center in 1 adopts a distorted octahedral geometry with a CoN4O2 chromophore. Hexacoordination of cobalt(III) is attained by binding with four N atoms of L and two 0 atoms of a chelated carbonate ion. Multiple intermolecular N-H center dot center dot center dot O hydrogen bondings in 1 result in a 2D sheet structure. In MeCN solutions, the diamagnetic compounds show a nearly reversible one-electron reductive response corresponding to cobalt(III)-cobalt(II) couple.</p