Melting and unzipping of DNA

Existing experimental studies of the thermal denaturation of DNA yield sharp steps in the melting curve suggesting that the melting transition is first order. This transition has been theoretically studied since the early sixties, mostly within an approach in which the microscopic configurations of a DNA molecule consist of an alternating sequence of non-interacting bound segments and denaturated loops. Studies of these models neglect the repulsive, self-avoiding, interaction between different loops and segments and have invariably yielded continuous denaturation transitions. In the present study we take into account in an approximate way the excluded-volume interaction between denaturated loops and the rest of the chain. This is done by exploiting recent results on scaling properties of polymer networks of arbitrary topology. We also ignore the heterogeneity of the polymer. We obtain a first-order melting transition in d = 2 dimensions and above, consistent with the experimental results. We also consider within our approach the unzipping transition, which takes place when the two DNA strands are pulled apart by an external force acting on one end. We find that the under equilibrium condition the unzipping transition is also first order. Although the denaturation and unzipping transitions are thermodynamically first order, they do exhibit critical fluctuations in some of their properties. For instance, the loop size distribution decays algebraically at the transition and the length of the denaturated end segment diverges as the transition is approached. We evaluate these critical properties within our approach. Received 21 August 2001 and Received in final form 26 January 2002     

Regular Binary Thermal Lattice-Gases

We analyze the power spectrum of a regular binary thermal lattice gas in two dimensions and derive a Landau–Placzek formula, describing the power spectrum in the long-wavelength, low frequency domain, for both the full mixture and a single component in the binary mixture. The theoretical results are compared with simulations performed on this model and show a perfect agreement. The power spectrums are found to be similar in structure as the ones obtained for the continuous theory, in which the central peak is a complicated superposition of entropy and concentration contributions, due to the coupling of the fluctuations in these quantities. Spectra based on the relative difference between both components have in general additional Brillouin peaks as a consequence of the equipartition failure.     

A lattice Boltzmann model with an amending function forsimulating nonlinear partial differential equations

This paper proposes a lattice Boltzmann model with an amending function for one-dimensional nonlinear partial differential equations (NPDEs) in the form $u_t+\alpha uu_{xx}+\beta u^n u_x+\gamma u_{xxx}+\xi u_{xxxx}=0$. This model is different from existing models because it lets the time step be equivalent to the square of the space step and derives higher accuracy and nonlinear terms in NPDEs. With the Chapman--Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The numerical results agree well with the analytical solutions.     

Quantum phase transition and entanglement in Heisenberg XX spin chain with impurity

In this paper,we study the quantum phase transition and the effect of impurity on the thermal entanglement between any two lattices in three-qubit Heisenberg XX chain in a uniform magnetic field.We show that the quantum phase transition always appears when impurity parameter is an arbitrary constant and unequal to zero,the external magnetic field and impurity parameters have a great effect on it.Also,there exists a relation between the quantum phase transition and the entanglement.By modulating the temperature,magnetic field and the impurity parameters,the entanglement between any two lattices can exhibit platform-like behaviour,which can be used to realize entanglement switch.     

CeO2的电子结构，光学和晶格动力学性质：第一性原理研究

基于考虑了Ce-4f电子间的库仑作用U和交换作用J的LDA+U方案,应用第一性原理计算系统研究了CeO₂的电子结构,光学和晶格动力学性质.电荷密度和电子局域函数的分布特征表明,CeO₂是属于共价键的绝缘体.介电常数、玻恩有效电荷张量和声子色散曲线的计算值和相应的实验结果符合得比较好. 关键词： 电子结构 光学性质 晶格动力学 第一性原理计算     

Conceptual design of Hefei advanced light source

The conceptual of Hefei Advanced Light Source, which is an advanced VUV and Soft X-ray source, was developed at NSRL of USTC. According to the synchrotron radiation user requirements and the trends of SR source development, some accelerator-based schemes were considered and compared; furthermore storage ring with ultra low emittance was adopted as the baseline scheme of HALS. To achieve ultra low emittance, some focusing structures were studied and optimized in the lattice design. Compromising of emittance, on-momentum and off-momentum dynamic aperture and ring scale, five bend acromat (FBA) was employed. In the preliminary design of HALS, the emittance was reduced to sub nm·rad, thus the radiation up to water window has full lateral coherence. The brilliance of undulator radiation covering several eVs to keVs range is higher than that of HLS by several orders. The HALS should be one of the most advanced synchrotron radiation light sources in the world.     

Two-Dimensional Breather Lattice Solutions and Compact-Like Discrete Breathers and Their Stability in Discrete Two-Dimensional Monatomic β-FPU Lattice

We restrict our attention to the discrete two-dimensional monatomic β-FPU lattice. We look for two- dimensional breather lattice solutions and two-dimensional compact-like discrete breathers by using trying method and analyze their stability by using Aubry＇s linearly stable theory. We obtain the conditions of existence and stability of two-dimensional breather lattice solutions and two-dimensional compact-like discrete breathers in the discrete two- dimensional monatomic β-FPU lattice.     

Monte Carlo study of the antiferromagnetical Ising model on a centred honeycomb lattice

We use the Monte Carlo method to study an antiferromagnetical Ising spin system on a centred honeycomb lattice, which is composed of two kinds of 1/2 spin particles A and B. There exist two different bond energies J_A-A and J_A-B in this lattice. Our study is focused on how the ratio of J_A-B to J_A-A influences the critical behaviour of this system by analysing the physical quantities, such as the energy, the order parameter, the specific heat, susceptibility, {etc} each as a function of temperature for a given ratio of J_A-B to J_A-A. Using these results together with the finite-size scaling method, we obtain a phase diagram for the ratio J_A-B / J_A-A. This work is helpful for studying the phase transition problem of crystals composed of compounds.     

A coupled-channel lattice study of the resonance-like structure Zc(3900)

In this exploratory study, near-threshold scattering of D and \begin{document}$\bar{D}^*$\end{document} meson is investigated using lattice QCD with \begin{document}$N_f=2+1+1$\end{document} twisted mass fermion configurations. The calculation is performed in the coupled-channel Lüscher finite-size formalism. The study focuses on the channel with \begin{document}$I^G(J^{PC})=1^+(1^{+-})$\end{document} where the resonance-like structure \begin{document}$Z_c(3900)$\end{document} was discovered. We first identify the two most relevant channels and the lattice study is performed in the two-channel scattering model. Combined with the two-channel Ross-Shaw theory, scattering parameters are extracted from the energy levels by solving the generalized eigenvalue problem. Our results for the scattering length parameters suggest that for the particular lattice parameters that we studied, the best fit parameters do not correspond to the peak in the elastic scattering cross-section near the threshold. Furthermore, in the zero-range Ross-Shaw theory, the scenario of a narrow resonance close to the threshold is disfavored beyond the 3\begin{document}$\sigma$\end{document} level.     

Mechanisms of martensitic transformations in boron nitride and conditions of their development

Abstract

The dependence of the pressure threshold of martensitic transformations on the disordering degree of starting structures is considered for graphite-like BN into diamond-like BN modifications transitions. The effect of loading conditions on transformation mechanisms of rhombohedral BN into zinc blende or wurtzite modifications is analyzed also. Analytical relations obtained allow to explain the experimental data and to predict a behavior of various graphite-like structures under different p, T conditions.