Sharp thresholds of two-components attractive Bose-Einstein condensates with an external driving field

In this Letter, we establish a sharp condition of global existence for the solution of two-components attractive Bose-Einstein Condensates with an external driving field. And this condition is related to the ground state solution of some steady-state two-coupled nonlinear Schrödinger equations.     

Structure and dynamics of a polymer melt at an attractive surface

We study the structural and dynamic properties of a polymer melt in the vicinity of an adhesive solid substrate by means of Molecular Dynamics simulation at various degrees of surface adhesion. The properties of the individual polymer chains are examined as a function of the distance to the interface and found to agree favorably with theoretical predictions. Thus, the adsorbed amount at the adhesive surface is found to scale with the macromolecule length as $\Gamma \propto \sqrt N$ , regardless of the adsorption strength. For chains within the range of adsorption we analyze in detail the probability size distributions of the various building blocks: loops, tails and trains, and find that loops and tails sizes follow power laws while train lengths decay exponentially thus confirming some recent theoretical results. The chain dynamics as well as the monomer mobility are also investigated and found to depend significantly on the proximity of a given layer to the solid adhesive surface with onset of vitrification for sufficiently strong adsorption.      

外力驱动作用下高分子链在表面吸附性质的计算机模拟

采用退火法模拟研究受外力F驱动的高分子链在吸引表面的吸附特性.通过高分子链的平均表面接触数〈M〉与温度T之间的关系计算临界吸附温度T_c,并发现T_c随着F的增加而减小;进而通过高分子链的均方回转半径分析外力驱动作用对高分子链构象的影响,并从回转半径极小值或者垂直外力方向的y和z分量的变化交叉校验临界吸附点T_c.模拟计算了处于吸附状态的高分子链随着外力F的增加是否会发生吸附状态到脱附状态的相变以及发生相变所需施加的外力是否由温度所决定.模拟结果表明:两种不同温度下高分子链的吸附性质和构象性质受外力驱动作用而产生不同现象,在温度区间T*_cTT_c时会发生脱附现象,而在TT*_c时不会发生脱附现象.     

Scaling laws of single polymer dynamics near attractive surfaces

We present a molecular dynamics study of a generic model for single polymer diffusion on surfaces, which have variable atomic-scale corrugation but no artificial, impenetrable obstacles. The diffusion coefficient D scales as D is proportional to (-3/2) with the degree of polymerization N for strongly adsorbed, linear polymers on solid substrates in good solvents. Weaker scaling, i.e., D is proportional to (-1), is found if (i) the substrate is a fluid, e.g., a membrane, (ii) the polymer is a ring polymer, and (iii) the polymer is commensurate with the substrate. In poor solvents, diffusion on solids slows exponentially fast with N. Reptation is not observed in any of the simulations presented here.     

Markovian description of unbiased polymer translocation

We perform, with the help of cloud computing resources, extensive Langevin simulations which provide compelling evidence in favor of a general Markovian framework for unbiased three-dimensional polymer translocation. Our statistical analysis consists of careful evaluations of (i) two-point correlation functions of the translocation coordinate and (ii) the empirical probabilities of complete polymer translocation (taken as a function of the initial number of monomers on a given side of the membrane). We find good agreement with predictions derived from the Markov chain approach recently addressed in the literature by the present authors.     

Confinement-driven translocation of a flexible polymer

We consider the escape of a flexible, self-avoiding polymer chain out of a confined geometry. By means of simulations, we demonstrate that the translocation time can be described by a simple scaling law that exhibits a nonlinear dependence on the degree of polymerization and that is sensitive to the nature of the confining geometry. These results contradict earlier predictions but are in agreement with recently confirmed geometry-dependent expressions for the free energy of confinement.     

Temperature dependence of the slip length in polymer melts at attractive surfaces

Using Couette and Poiseuille flows, we extract the temperature dependence of the slip length, delta, from molecular dynamics simulations of a coarse-grained polymer model in contact with an attractive surface. delta is dictated by the ratio of bulk viscosity and surface mobility. At weakly attractive surfaces, lubrication layers form; delta is large and increases upon cooling. Close to the glass transition temperature Tg, very large slip lengths are observed. At a more attractive surface, a sticky surface layer is built up, giving rise to small slip lengths. Upon cooling, delta decreases at high temperatures, passes through a minimum, and grows for T-->Tg. At strongly attractive surfaces, the Navier-slip condition fails to describe Couette and Poiseuille flows simultaneously. The simulations are corroborated by a schematic, two-layer model suggesting that the observations do not depend on details of the computational model.     

Dynamics of an anchored polymer molecule under an oscillating force

We study the dynamics of a polymer of varying stiffness, pinned or grafted at both ends and subjected to an oscillatory forcing at an intermediate point. Via stochastic simulations, we find a crossover from a periodic limit cycle to an aperiodic dynamics as the polymer gets "stiffer." An analytical argument valid in the 2D grafted case shows that in such a case this aperiodic dynamics has some chaotic signatures.     

Effects of solute-solvent and solvent-solvent attractive interactions on solute diffusion

A study is reported on the diffusion process of a solute molecule in a Lennard-Jones-like liquid near the triple point by a molecular dynamics simulation. Systematic changes were made to the strength of the solute-solvent or solvent-solvent attractive interaction in order to elucidate its effects on the diffusion coefficient. When the solute-solvent attractive interaction is enhanced, the diffusion coefficient of the solute becomes much smaller than that predicted by the Stokes-Einstein relationship with a stick boundary condition. The generalized friction coefficient on the solute molecule was investigated, and the attractive force between solute and solvent is found to be the main cause for the enhancement of the friction. When the attractive interaction between solvent molecules is weakened, the diffusion coefficient of a solute does not change, whereas that of a solvent does. Compared with the shear viscosity of the solvent, the diffusion coefficient of the solute breaks the Stokes-Einstein relationship, whereas the Stokes-Einstein relationship appears to hold in the case of the solvent molecule.     

Non-equilibrium effects in chaperone-assisted translocation of a stiff polymer

Chaperone-assisted biopolymer translocation is the main model proposed for translocation in vivo. A dynamical Monte Carlo method is used to simulate the translocation of a stiff homopolymer through a nanopore driven by chaperones. Chaperones are proteins that bind to the polymer near the wall and prevent its backsliding through Cis side. The important parameters include binding energy, size and the local concentration of the chaperones. The profile of these local concentrations, build up the chaperones distribution. Here we investigate the effects of binding energy, size and the exponential distribution of chaperones in their equilibration in each step of the polymer translocation needed for stable translocation time. The simulation results show that in case of chaperones with the size of a monomer ($\lambda =1$) and/or positive effective binding energy and/or uniform distribution, the chaperones binding equilibration rate/frequency is less than 5 times per monomer. However, in some special cases in the exponential distribution of chaperones with size $\lambda >1$ and negative effective binding energy the equilibration rate will diverge to more than 20 times per monomer. We show that this non-equilibrium effect results in supper diffusion, seen before. Moreover, we confirm the equilibration process theoretically.     

Scaling exponents of forced polymer translocation through a nanopore

We investigate several properties of a translocating homopolymer through a thin pore driven by an external field present inside the pore only using Langevin Dynamics (LD) simulations in three dimensions (3D). Motivated by several recent theoretical and numerical studies that are apparently at odds with each other, we estimate the exponents describing the scaling with chain length (Nof the average translocation time \(\ensuremath \langle\tau\rangle\) , the average velocity of the center of mass \(\ensuremath \langle v_{{\rm CM}}\rangle\) , and the effective radius of gyration \(\ensuremath \langle {R}_g\rangle\) during the translocation process defined as \(\ensuremath \langle\tau\rangle \sim N^{\alpha}\) , \(\ensuremath \langle v_{{\rm CM}} \rangle \sim N^{-\delta}\) , and \(\ensuremath {R}_g \sim N^{\bar{\nu}}\) respectively, and the exponent of the translocation coordinate (s -coordinate) as a function of the translocation time \(\ensuremath \langle s^2(t)\rangle\sim t^{\beta}\) . We find \(\ensuremath \alpha=1.36 \pm 0.01\) , \(\ensuremath \beta=1.60 \pm 0.01\) for \(\ensuremath \langle s^2(t)\rangle\sim \tau^{\beta}\) and \(\ensuremath \bar{\beta}=1.44 \pm 0.02\) for \(\ensuremath \langle\Delta s^2(t)\rangle\sim\tau^{\bar{\beta}}\) , \(\ensuremath \delta=0.81 \pm 0.04\) , and \(\ensuremath \bar{\nu}\simeq\nu=0.59 \pm 0.01\) , where \( \nu\) is the equilibrium Flory exponent in 3D. Therefore, we find that \(\ensuremath \langle\tau\rangle\sim N^{1.36}\) is consistent with the estimate of \(\ensuremath \langle\tau\rangle\sim\langle R_g \rangle/\langle v_{{\rm CM}} \rangle\) . However, as observed previously in Monte Carlo (MC) calculations by Kantor and Kardar (Y. Kantor, M. Kardar, Phys. Rev. E 69, 021806 (2004)) we also find the exponent α = 1.36 ± 0.01 < 1 + ν. Further, we find that the parallel and perpendicular components of the gyration radii, where one considers the “cis” and “trans” parts of the chain separately, exhibit distinct out-of-equilibrium effects. We also discuss the dependence of the effective exponents on the pore geometry for the range of N studied here.     

Effects of excimer laser illumination on microdrilling into an oblique polymer surface

In this work, we present the experimental results of micromachining into polymethy-methacrylate exposed to oblique KrF excimer laser beams. The results of low-aspect-ratio ablations show that the ablation rate decreases monotonously with the increase of incident angle for various fluences. The ablation rate of high-aspect-ratio drilling with opening center on the focal plane is almost independent of incident angles and is less than that of low-aspect-ratio ablation. The results of high-aspect-ratio ablations show that the openings of the holes at a distance from the focal plane are enlarged and their edges are blurred. Besides, the depth of a hole in the samples oblique to the laser beam at a distance from the focal plane decreases with the increase of the distance from the focal plane. The number of deep holes generated by oblique laser beams through a matrix of apertures decreases with the increase of incident angle. Those phenomena reveal the influence of the local light intensity on microdrilling into an oblique surface.     

准周期外力驱动下Lorenz系统的动力学行为

本文研究了准周期外力驱动下Lorenz系统的动力学行为，发现当外强迫的振幅达到某一个临界值时，系统的动力学行为将会发生根本性的变化，由此揭示了产生非混沌奇怪吸引子(Strange Nonchaotic Attractor, SNA)的一个新机制：准周期外强迫振幅的加大导致系统由奇怪的混沌吸引子转变为SNA，系统的相空间最终被压缩至一个准周期环上.并且本文的结果表明，外强迫的临界振幅与Lorenz系统Rayleigh数的大小成正比，而其受外强迫频率变化的影响并不大. 关键词： 准周期 Lorenz系统 非混沌奇怪吸引子     

On the thermodynamic driving force for polymer intercalation in smectite clays

The view that the intercalation of a polymer in an unmodified smectite clay is driven by the entropic increase that results from displacement of adsorbed water is re-assessed in the light of experiments that show rapid melt intercalation into a clay that has been heat-treated to remove gallery water. Dehydrated smectite clays with collapsed layers take up poly(ethylene glycol) from the melt in only 1?ks or from aqueous solution in under 18?ks, re-establishing the basal plane spacing to that for intercalation in untreated clay, 1.8?nm. Differential scanning calorimetry showed that the intercalation of poly(ethylene glycol) into montmorillonite is exothermic with an enthalpy change of ?153?J?g^?1 based on the intercalated polymer and the heat of wetting for the internal surfaces of montmorillonite by poly(ethylene glycol) is ?0.08?J?m^?2. These results confirm the observation of re-expansion of heat-treated clays and imply that the reduction in free energy on intercalation results from a significant enthalpic change as well as an entropic change for clays with interlayer water, and primarily from an enthalpic change for clay in the absence of water.