Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations

Based on multiple simulation trajectories, which started from dispersively selected initial conformations, the weighted ensemble dynamics method is designed to robustly and systematically explore the hierarchical structure of complex conformational space through the spectral analysis of the variance-covariance matrix of trajectory-mapped vectors. Non-degenerate ground state of the matrix directly predicts the ergodicity of simulation data. The ground state could be adopted as statistical weights of trajectories to correctly reconstruct the equilibrium properties, even though each trajectory only explores part of the conformational space. Otherwise, the degree of degeneracy simply gives the number of meta-stable states of the system under the time scale of individual trajectory. Manipulation on the eigenvectors leads to the classification of trajectories into non-transition ones within the states and transition ones between them. The transition states may also be predicted without a priori knowledge of the system. We demonstrate the application of the general method both to the system with a one-dimensional glassy potential and with the one of alanine dipeptide in explicit solvent.Comment: 13 pages, 7 figures. Phys Rev E 2009 (in press

Energy-Efficient Antenna Selection and Power Allocation for Large-Scale Multiple Antenna Systems with Hybrid Energy Supply

The combination of energy harvesting and large-scale multiple antenna technologies provides a promising solution for improving the energy efficiency (EE) by exploiting renewable energy sources and reducing the transmission power per user and per antenna. However, the introduction of energy harvesting capabilities into large-scale multiple antenna systems poses many new challenges for energy-efficient system design due to the intermittent characteristics of renewable energy sources and limited battery capacity. Furthermore, the total manufacture cost and the sum power of a large number of radio frequency (RF) chains can not be ignored, and it would be impractical to use all the antennas for transmission. In this paper, we propose an energy-efficient antenna selection and power allocation algorithm to maximize the EE subject to the constraint of user's quality of service (QoS). An iterative offline optimization algorithm is proposed to solve the non-convex EE optimization problem by exploiting the properties of nonlinear fractional programming. The relationships among maximum EE, selected antenna number, battery capacity, and EE-SE tradeoff are analyzed and verified through computer simulations.Comment: IEEE Globecom 2014 Selected Areas in Communications Symposium-Green Communications and Computing Trac

The silicate model and carbon rich model of CoRoT-7b, Kepler-9d and Kepler-10b

Possible bulk compositions of the super-Earth exoplanets, CoRoT-7b, Kepler-9d, and Kepler-10b are investigated by applying a commonly used silicate and a non-standard carbon model. Their internal structures are deduced using the suitable equation of state of the materials. The degeneracy problems of their compositions can be partly overcome, based on the fact that all three planets are extremely close to their host stars. By analyzing the numerical results, we conclude: 1) The iron core of CoRoT-7b is not more than 27% of its total mass within 1 $\sigma$ mass-radius error bars, so an Earth-like composition is less likely, but its carbon rich model can be compatible with an Earth-like core/mantle mass fraction; 2) Kepler-10b is more likely with a Mercury-like composition, its old age implies that its high iron content may be a result of strong solar wind or giant impact; 3) the transiting-only super-Earth Kepler-9d is also discussed. Combining its possible composition with the formation theory, we can place some constraints on its mass and bulk composition.Comment: 20 pages, 8figures, accepted for publication in RAA. arXiv admin note: text overlap with arXiv:0707.289