15,697 research outputs found

    Modeling of Water Explicitly in the Replica-Exchange Simulation Method for Protein Folding

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    Modeling the AgInSbTe Memristor

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    The AgInSbTe memristor shows gradual resistance tuning characteristics, which makes it a potential candidate to emulate biological plastic synapses. The working mechanism of the device is complex, and both intrinsic charge-trapping mechanism and extrinsic electrochemical metallization effect are confirmed in the AgInSbTe memristor. Mathematical model of the AgInSbTe memristor has not been given before. We propose the flux-voltage controlled memristor model. With piecewise linear approximation technique, we deliver the flux-voltage controlled memristor model of the AgInSbTe memristor based on the experiment data. Our model fits the data well. The flux-voltage controlled memristor model and the piecewise linear approximation method are also suitable for modeling other kinds of memristor devices based on experiment data

    Cation mono- and co-doped anatase TiO2_2 nanotubes: An {\em ab initio} investigation of electronic and optical properties

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    The structural, electronic, and optical properties of metal (Si, Ge, Sn, and Pb) mono- and co-doped anatase TiO2_{2} nanotubes are investigated, in order to elucidate their potential for photocatalytic applications. It is found that Si doped TiO2_{2} nanotubes are more stable than those doped with Ge, Sn, or Pb. All dopants lower the band gap, except the (Ge, Sn) co-doped structure, the decrease depending on the concentration and the type of dopant. Correspondingly, a redshift in the optical properties for all kinds of dopings is obtained. Even though a Pb mono- and co-doped TiO2_{2} nanotube has the lowest band gap, these systems are not suitable for water splitting, due to the location of the conduction band edges, in contrast to Si, Ge, and Sn mono-doped TiO2_{2} nanotubes. On the other hand, co-doping of TiO2_{2} does not improve its photocatalytic properties. Our findings are consistent with recent experiments which show an enhancement of light absorption for Si and Sn doped TiO2_{2} nanotubes.Comment: revised and updated, 23 pages (preprint style), 7 figures, 5 table

    Non-Abelian Proca model based on the improved BFT formalism

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    We present the newly improved Batalin-Fradkin-Tyutin (BFT) Hamiltonian formalism and the generalization to the Lagrangian formulation, which provide the much more simple and transparent insight to the usual BFT method, with application to the non-Abelian Proca model which has been an difficult problem in the usual BFT method. The infinite terms of the effectively first class constraints can be made to be the regular power series forms by ingenious choice of XαβX_{\alpha \beta} and ωαβ\omega^{\alpha \beta}-matrices. In this new method, the first class Hamiltonian, which also needs infinite correction terms is obtained simply by replacing the original variables in the original Hamiltonian with the BFT physical variables. Remarkably all the infinite correction terms can be expressed in the compact exponential form. We also show that in our model the Poisson brackets of the BFT physical variables in the extended phase space are the same structure as the Dirac brackets of the original phase space variables. With the help of both our newly developed Lagrangian formulation and Hamilton's equations of motion, we obtain the desired classical Lagrangian corresponding to the first class Hamiltonian which can be reduced to the generalized St\"uckelberg Lagrangian which is non-trivial conjecture in our infinitely many terms involved in Hamiltonian and Lagrangian.Comment: Notable improvements in Sec. I

    Evolutionary nonnegative matrix factorization for data compression

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    This paper aims at improving non-negative matrix factor- ization (NMF) to facilitate data compression. An evolutionary updat- ing strategy is proposed to solve the NMF problem iteratively based on three sets of updating rules including multiplicative, firefly and sur- vival of the fittest rules. For data compression application, the quality of the factorized matrices can be evaluated by measurements such as spar- sity, orthogonality and factorization error to assess compression quality in terms of storage space consumption, redundancy in data matrix and data approximation accuracy. Thus, the fitness score function that drives the evolving procedure is designed as a composite score that takes into account all these measurements. A hybrid initialization scheme is per- formed to improve the rate of convergence, allowing multiple initial can- didates generated by different types of NMF initialization approaches. Effectiveness of the proposed method is demonstrated using Yale and ORL image datasets
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