Structural characterization of pseudo-binary semiconducting alloys using molecular simulations

Monte Carlo simulations with the Keating model have been performed to predict the lattice constant and bond length variations with composition for pseudo-binary semiconducting alloys. In general, it is observed that the deviations of the lattice constants from Vegard's law predictions are larger as the lattice mismatch between the constituent binaries increases. Further, it is noted that these alloys have partial virtual crystal model characteristics and tend to be more towards the flexible (floppy) crystal limit as compared to the rigid crystal limit. The topological rigidity parameters are bond-type dependent. The angular deviations from perfect tetrahedral structure are also measured.     

Identification of functionally key residues in maltose transporter with an elastic network model-based thermodynamic method

Periplasmic binding protein-dependent maltose transport system (MBP-MalFGK₂) of Escherichia coli, an important member of the Adenosine triphosphate-binding cassette transporter superfamily, is in charge of the transportation of maltoses across cellular membrane. Studies have shown that this transport processes are activated by the binding of maltose and are accompanied by large-scale cooperative movements between different domains which are mediated by a network of important residues related to signal transduction and allosteric regulation. In this paper, the functionally crucial residues and long-range allosteric pathway of the regulation of the system by substrate were identified by utilising a coarse-grained thermodynamic method proposed by our group. The residues whose perturbations markedly change the binding free energy between maltoses and MBP-MalFGK₂ were considered to be key residues. In result, the key residues in 62 clusters distributed in different subdomains were identified successfully, and the results from our calculation are highly consistent with experimental and theoretical observations. Furthermore, we explored the long-range cooperation within the transporter. These studies will help us better understand the physical mechanism of the effects of the maltose on MBP-MalFGK₂ by long-range allosteric modulation.     

Nuclear Structure and Electromagnetic Transitions Investigation in Er Isotopes within Framework of Interacting Boson Model

Interacting Boson Model-2(IBM-2)is used to determine the Hamiltonian for Er nuclei.Fit values of parameters are used to construct the Hamiltonian,energy levels and electromagnetic transitions(B(E2),B(M1))multipole mixing ratios(δ(E2/M1))for some even-even Er nuclei and monopole transition probability are estimated.New ideas are used for counting bosons number at N=64 and results are compared with previous works.     

Algorithms of target detection on hyperspectral imagery

With the development of airborne and spaceborne remote sensing from the 1980s, as a new and growing technology, hyperspectral imaging is widely used in different fields, such as military investigation, battlefield information acquisition, environmental monitoring, mineral exploration and public security. Because of the unique characteristic of acquiring spectral and spatial information simultaneously, it brings the hyperspectral detection advantages when dealing with target detection problem under complex conditions. Target detecting models of hyperspectral image are established, including the target subspace model and the probability statistical model. And several algorithms are introduced, which are based on original spectral features, sub-space projection and probability statistical model separately. Comparison shows that if the background includes fault objectives, GLRT is the best algorithm, and its SINR is the largest; on condition of anomaly target detection, LPTD is the best, and have a quite high SINR.     

Effects of delayed recovery and nonuniform transmission on the spreading of diseases in complex networks

We investigate the effects of delaying the time to recovery (delayed recovery) and of nonuniform transmission on the propagation of diseases on structured populations. Through a mean-field approximation and large-scale numerical simulations, we find that postponing the transition from the infectious to the recovered states can largely reduce the epidemic threshold, therefore promoting the outbreak of epidemics. On the other hand, if we consider nonuniform transmission among individuals, the epidemic threshold increases, thus inhibiting the spreading process. When both mechanisms are at work, the latter might prevail, hence resulting in an increase of the epidemic threshold with respect to the standard case, in which both ingredients are absent. Our findings are of interest for a better understanding of how diseases propagate on structured populations and to a further design of efficient immunization strategies.     

Brownian localization： A generalized coupling model yielding a nonergodic Langevin equation description

A minimal system-plus-reservoir model yielding a nonergodic Langevin equation is proposed, which originates from the cubic-spectral density of environmental oscillators and momentum-dependent coupling. This model allows ballistic diffusion and classical localization simultaneously, in which the fluctuation-dissipation relation is still satisfied but the Khinchin theorem is broken. The asymptotical equilibrium for a nonergodic system requires the initial thermal equilibrium, however, when the system starts from nonthermal conditions, it does not approach the equilibration even though a nonlinear potential is used to bound the particle, this can be confirmed by the zerotb law of thermodynamics. In the dynamics of Brownian localization, due to the memory damping function inducing a constant term, our results show that the stationary distribution of the system depends on its initial preparation of coordinate rather than momentum. The coupled oscillator chain with a fixed end boundary acts as a heat bath, which has long been used in studies of collinear atom/solid-surface scattering and lattice vibration, we investigate this problem from the viewpoint of nonergodicity.     

A goldstone mode in the Kawasaki-Ising model

The hydrodynamic regime of superfluids is dominated by a Goldstone mode corresponding to a spontaneously brokenU(1) symmetry. In this article we map the Kawasaki-Ising model for a classical lattice gas into a quantum model for a superfluid and establish a connection between the normal density fluctuations of the first and the Goldstone mode of the second. The fact that the quantum model we obtain describes a superfluid derives from an inequality by Penrose and Onsager which gives a lower bound to the Bose-Einstein condensate density. Mathematically, the Goldstone mode can be described by means of a quantum extension of the local algebra of the Ising model. The classification of its irreducible representations requires an additionalU(1) phase factor and the correspondingU(1) gauge symmetry is spontaneously broken for all finite values of the temperature and of the density.