Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

Molecular dynamics (MD) simulation based on Langevin equation has been widely used in the study of structural, thermal properties of matters in difference phases. Normally, the atomic dynamics are described by classical equations of motion and the effect of the environment is taken into account through the fluctuating and frictional forces. Generally, the nuclear quantum effects and their coupling to other degrees of freedom are difficult to include in an efficient way. This could be a serious limitation on its application to the study of dynamical properties of materials made from light elements, in the presence of external driving electrical or thermal fields. One example of such system is single molecular dynamics on metal surface, an important system that has received intense study in surface science. In this review, we summarize recent effort in extending the Langevin MD to include nuclear quantum effect and their coupling to flowing electrical current. We discuss its applications in the study of adsorbate dynamics on metal surface, current-induced dynamics in molecular junctions, and quantum thermal transport between different reservoirs.Comment: 23 pages, 16 figur

Efficient routing on complex networks

In this letter, we propose a new routing strategy to improve the transportation efficiency on complex networks. Instead of using the routing strategy for shortest path, we give a generalized routing algorithm to find the so-called {\it efficient path}, which considers the possible congestion in the nodes along actual paths. Since the nodes with largest degree are very susceptible to traffic congestion, an effective way to improve traffic and control congestion, as our new strategy, can be as redistributing traffic load in central nodes to other non-central nodes. Simulation results indicate that the network capability in processing traffic is improved more than 10 times by optimizing the efficient path, which is in good agreement with the analysis.Comment: 4 pages, 4 figure

Investigating Ds+→π0ℓ+νℓD_s^+ \to \pi^0 \ell^+ \nu_\ell decay process within QCD sum rule approach

In this paper, the semileptonic decays $D_s^+ \to \pi^0\ell^+ \nu_\ell$ with $\ell=(e,\mu)$ are investigated by using the light-cone sum rule approach. Firstly, the neutral meson mixing scheme between $\pi^0$, $\eta$, $\eta^\prime$ and pseudoscalar gluonium $G$ is discussed in a unified way, which leads to the direct connection between two different channels for $D_s^+\to \pi^0\ell^+\nu_\ell$ and $D_s^+ \to \eta\ell^+\nu_\ell$ by the $\pi^0-\eta$ mixing angle. Then we calculated the $D_s\to \pi^0$ transition form factors (TFFs) within QCD light-cone sum rule approach up to next-to-leading order correction. At the large recoil point, we have $f_+^{D_s^+\pi^0}(0)=0.0113_{-0.0019}^{+0.0024}$ and $f_-^{D_s^+\pi^0}(0)=0.0020_{-0.0009}^{+0.0008}$. Furthermore, the TFFs are extrapolated to the whole physical $q^2$-region by using the simplified $z(q^2)$-series expansion. The behaviors of TFFs and related three angular coefficient functions $a_{\theta_\ell}(q^2)$, $b_{\theta_\ell}(q^2)$ and $c_{\theta_\ell}(q^2)$ are given. The differential decay widths for $D_s^+ \to \pi^0\ell^+ \nu_\ell$ with respect to $q^2$ and $\cos\theta_\ell$ are displayed, and also lead to the branching fractions ${\cal B}(D_s^+\to \pi ^0e^+\nu_e) =2.60_{-0.51}^{+0.57}\times 10^{-5}$ and ${\cal B}(D_s^+\to \pi ^0\mu^+\nu _\mu )= 2.58_{-0.51}^{+0.56}\times 10^{-5}$. These results show well agreement with the recent BESIII measurements and theoretical predictions. Then the differential distributions and integrated predictions for three angular observables, {\it i.e.} forward-backward asymmetries, $q^2$-differential flat terms and lepton polarization asymmetry are given separately. Lastly, we estimate the ratio for different decay channels ${\cal R}_{\pi ^0/\eta}^{\ell}=1.108_{-0.071}^{+0.039}\times 10^{-3}$.Comment: 10 pages, 5 figure