Ab Initio and Theoretical Study on Electron Transport through Polyene Junctions in between Carbon Nanotube Leads of Various Cuts.

In this study we look into the interference effect in multi-thread molecular junctions in between carbon-nanotube (CNT) electrodes of assorted edges. From the tube end into the tube bulk of selected CNTs, we investigate surface Green's function and layer-by-layer local density of states (LDOS), and find that both the cross-cut and the angled-cut armchair CNTs exhibit 3-layer-cycled LDOS oscillations. Moreover, the angled-cut armchair CNTs, which possess a zigzag rim at the cut, exhibit not only the oscillations, but also edge state component that decays into the tube bulk.

Rubik's cube: an energy perspective.

What if we played the Rubik's cube game by simple intuition? We would rotate the cube, probably in the hope of getting a more organized pattern in each next step. Yet frustration occurs easily, and we soon find ourselves trapped as the game progresses no further. Played in this completely strategy-less style, the entire problem of the Rubik's cube game can be compared to that of complex chemical reactions such as protein folding, only with less guidance in the searching process.

A cell-model study on counterion fluctuations in macroionic systems: effect of non-extensiveness in entropy.

Rigorously speaking, entropy is slightly non-extensive, and this non-extensiveness, which characterizes the degree of fluctuations, can contribute to effective interactions between mesoscopic objects. In this paper, we consider a pair of macroions, each accompanied by 1000 counterions, and with a cell-model description we demonstrate that the slow variation of non-extensiveness in counterion entropy over macroionic distance leads to an effective long-range attraction between the macroions. With the aid of Monte Carlo simulation and a Bragg-Williams theory including counterion number fluctuations, we find the depth of attraction in free energy to be approximately 0.

Polarization of ions under geometric confinement in the strong-interacting regime: a two-ring model study.

We study the polarization and electrostatic interactions of an ionic system under geometric confinement in the strong-interacting regime. The geometric confinement is introduced via a simple two-ring model, where ions of each species are confined on a ring, respectively. The observed polarization curve exhibits staircase transitions in the low-temperature regime, due to the crossover between energy local minima.