一端附壁高分子链的Monte Carlo研究

采用简立方格点上的Monte Carlo模拟,研究一端被无限大不可穿透平面壁吸附的高分子链的均方末端距<R²>,以及高分子链的质量中心到平面吸附壁的平均距离<Z>,与链长N、参数u(u=e^-ε/kT,ε是链骨架原子间的相互作用能量,k是玻耳兹曼常数,T是热力学温度)的关系。结果表明:<R²>和<Z>都服从标度律,<R²>=αN^γ,<Z>=βN^η,其中,γ、η、α、β都是u的函数;u从1减小到0.5,则γ从1.01增大到1.19,η从0.51增大到0.60.     

无序度对一维长程关联无序系统中局域化-退局域化转变的影响

对长程幂律关联能量序列进行了修正,使其能体现出无序度在一维长程关联无序系统中的影响,并利用重正化群方法,计算了能反映该系统局域化-退局域化转变的Lyapunov指数.结果表明,在由于关联指数p的影响而在系统中出现的局域化向退局域化的转变中,无序度起着相反的作用.当关联指数p一定而无序度W增大时,系统中心能区范围内由于长程关联而引起的扩展态逐渐向局域态转变.当无序度W增大到某一临界值W_c时,系统中所有本征态均转变为局 关键词： 长程关联 Lyapunov指数 无序度 局域化-退局域化转变     

高阶Adams公式的系数

当k的值不大时(例如k≤4),诸系数γiγi^*,β_kρ,β_kρ^*易于手工计算。但对大的k值(例如k≥5),手工计算已非易事。利用著名的计算机代数软件:REDUCE^[a],我们可以很容易地计算出诸系数γi,γi^*,β_kρ,β_kρ^*。     

相位角对容性耦合电非对称放电特性的影响

电非对称效应作为一种新兴技术,被广泛用于对离子能量和离子通量的独立调控.此外,在改善等离子体的径向均匀性方面,电非对称效应也发挥了重要作用.本文采用二维流体力学模型,并耦合麦克斯韦方程组,系统地研究了容性耦合氢等离子体中当放电由多谐波叠加驱动时,不同谐波阶数k下的电非对称效应,重点观察了相位角θ_n对自偏压以及等离子体径向均匀性的影响.模拟结果表明：在同一谐波阶数下,自偏压随相位角θ_n的变化趋势不尽相同,且当k增大（k>3）时,自偏压随最高频相位角θ_k的变化范围逐渐减小.此外,通过调节相位角θ_n,可以改变轴向功率密度和径向功率密度的相对关系,进而实现对等离子体径向均匀性的调节.研究结果对于利用电非对称效应优化等离子体工艺过程具有一定的指导意义.     

阻挫诱导的亚铁磁性Heisenberg系统中的量子相变

利用密度矩阵重整化群(DMRG)方法研究磁性阻挫对一种S=1/2准一维反铁磁自旋链但却具有亚铁磁性的Heisenberg系统基态的影响.计算了单个晶胞的基态能、自旋关联函数以及自旋能隙.研究表明这种Heisenberg自旋系统的基态随着阻挫α的增强将从磁有序相变化到自旋无序相,并且伴随着自旋能隙的出现,量子相变点为α≈0.412.同时线形链上格点间自旋长程关联值的计算结果表明在磁有序区间体系的磁有序性质随着α的增强而减弱,阻挫在0≤α< 关键词： 准一维反铁磁自旋链 亚铁磁性 密度矩阵重整化群 自旋能隙     

电网在三种边攻击方式下的级联失效

研究美国西部电网在三种边攻击方式下级联失效差异性.定义边ij的初始负载为(k_ik_j)^θ,k_i,k_j分别表示节点i和j的度,θ为一可调参数.三种边攻击方式分别为:最小负载边攻击方式(LL)、最大负载边攻击方式(HL)和容量比最小边攻击方式(SPC).通过分析电网的拓扑结构,研究三种攻击方式级联失效差异性.研究表明:HL和LL攻击方式下,受攻击边的范围不随θ而改变,HL的攻击效果随θ的增大而增强,LL的攻击效果随θ的增大而减弱.而SPC法选中的被攻击边随θ变化,当θ取值较小时,SPC攻击边是拓扑结构较特殊的一种最小负载边,随着θ的增大,SPC攻击边趋向于高负载边,因此θ较小时,SPC的攻击效果和LL接近,当θ较大时,SPC的攻击效果和HL接近.     

一维长程关联无序系统中的电子态

利用傅里叶滤波法在一维Anderson无序系统中产生了具有幂律谱密度公式s(q)∝q^-p形式的长程关联随机能量序列，并利用传输矩阵方法计算了系统中引入了长程关联后的局域长度，同时应用负本征值理论对系统中的电子态密度进行了分析，并分别把计算结果与系统中不具有长程关联时的局域长度与电子态密度进行了比较.结果表明，长程幂律关联的引入对电子态的性质产生了很大的影响，当关联指数p≥2.0时，在系统能带中心范围内发生了部分局域态向退局域态的转变，而同时电子态密度也发生了很大的变化，出现了六个范霍夫奇点，系统的能带范围也相应地得到展宽. 关键词： 无序系统 长程关联 局域长度 电子态密度     

一类带扰动的Sine-Gordon方程的谱方法

研究一类具扰动的Sine-Gordon方程u_tt-u_xx+αsinu-βu_xxt=g(u),t>0,-∞< x< ∞的周期初值问题,提出了谱方法,并用先验估计方法作了误差估计,证明了近似方法的收敛性,并得到了该问题广义解的存在、唯一性。     

Cu1-xHxZr2(PO4)3中Cu2+的EPR谱和局域结构研究

本文采用Cu²⁺斜方对称电子顺磁共振（EPR）参量的高阶微扰公式计算了晶体Cu_1-xH_xZr₂（PO₄）₃中Cu²⁺的EPR参量（g因子和超精细结构常数A因子）．计算结果表明,晶体Cu_1-xH_xZr₂（PO₄）₃中[CuO₆]^10-基团的Cu-O键长分别为R_||≈0.241 nm,R_⊥≈0.215 nm,平面键角τ≈80.1°;由于对称性降低,中心金属离子基态²A_1g（θ）和²A_1g（ε）有一定程度混合,混合系数α≈0.995．所得EPR谱图的理论计算值与实验数据符合得很好．     

基于幂次相互作用的二维磁性团簇耦合能研究

在扩散限制凝聚模型基础上,采用Monte Carlo方法模拟了磁耦合作用随粒子间距离幂次变化的磁性粒子动力学凝聚过程.重点研究了在不同幂指数α值下团簇在生长过程中,即随着粒子数N的增加,团簇平均耦合能E_c(N)的演化过程.模拟结果表明:对于α≥5时,E_c(N)随着粒子数N的增加变化较小;当α=2时,E关键词： 扩散限制凝聚模型 幂次相互作用 耦合能     

Localization-delocalization transition in chains with long-range correlated disorder

We investigated numerically localization properties of electron eigenstates in a chain with long-range correlated diagonal disorder. A tight-binding one-dimensional model with on-site energies exhibiting long-range correlated disorder (LCD) was used with various disorder strength W. LCD was defined so that it gave a power-law spectral density of the form S(k)αk^-p, where p determines the roughness of the potential landscape. Numerical results on the correlation length ξ of eigenstates shows the existence of the localization-delocalization transition at p=2. It is found that the critical values for disorder strength W_c and also the critical exponent ν for localization length change with the values of p.     

(De)localization and the mobility edges in a disordered double chain with long-range intrachain correlation and short-range interchain correlation

Correlation effects and phase transitions are central issues in current studies on disordered systems. In this paper, we study the electronic properties of a disordered double chain with long-range intrachain correlation and short-range interchain correlation. Based on detailed numerical calculations, finite size scaling analysis and empirical analytical calculations, we obtain a phase diagram containing rich physics due to the interplay among the disorder, short-range and long-range correlations. Besides the long-range correlation induced localization-delocalization transitions, we find both first-order and second-order quantum phase transitions on changing the short-range correlation. Interestingly, the localization may be suppressed by increasing the disorder strength in some parameter regime and the 'anti-correlation' leads to the most delocalized state. Our studies shine some light on the mechanism of the charge transport in DNA molecules, where both types of correlated disorders are present.     

Participation ratio and fidelity analyses as tools to study BCS-BEC crossover

Solving Bogoliubov-de Gennes (BdG) equations for a two dimensional Hubbard model with random on-site disorder, we compute the participation ratio and fidelity to establish conviction for a BCS-BEC crossover scenario at intermediate values of disorder proposed earlier [P. Dey, S. Basu, J. Phys.: Condens. Matter 20, 485205 (2008)]. The participation ratio analysis suggests the onset of a phase with shrunk pairs extending over moderate number of lattice sites, which however preserves the superfluid character. The fidelity or the ground state overlap for two different (but closely lying) values of the disorder strength shows an abrupt drop at the immediate neighbourhood of the disorder strength where an onset of a paired (bose-like) phase occurs.     

镁基合金自由枝晶生长的相场模拟研究

利用定量相场模型, 以Mg-0.5 wt.%Al合金为例模拟了基面((0001)面)内镁基合金的等温自由枝晶生长过程. 通过研究该合金体系数值模拟的收敛性, 获得了最优化值耦合参数λ = 5.5及网格宽度Δx/W₀ = 0.4, 并在该参数下系统研究了各向异性强度和过饱和度对枝晶尖端生长速度、尖端曲率半径、Péclet数及稳定性常数σ^* 的影响. 结果表明, 由微观可解性理论得到的稳定性系数σ^* 与ε₆ 拟合值σ^*≅ ε₆ ^1.81905, 更接近理想值σ ^* (ε₆) ≅ε₆ ^1.75. 此外, 当过饱和度Ω < 0.6时, 稳定性系数σ ^* 不随ε₆ 的变化而变化, 而当Ω > 0.6时, 稳定性系数σ ^* 随着ε₆ 的增加而减小. 这反映了枝晶的生长由扩散控制向动力学控制的转变. 随着过饱和度的增加, 枝晶形貌由雪花状枝晶向圆状枝晶转变.     

Influence of weak nonlinearity on the 1D Anderson model with long-range correlated disorder

We investigate theoretically the nature of the states and the localization properties in a one-dimensional Anderson model with long-range correlated disorder and weak nonlinearity. Using the stationary discrete nonlinear Schrödinger equation, we calculate the disorder-averaged logarithm of the transmittance and the localization length in the fixed input case in a numerically exact manner. Unlike in many previous studies, we strictly fix the intensity of the incident wave and calculate the localization length as a function of other parameters. We also calculate the wave functions in a given disorder configuration. In the linear case, flat phased localized states appear near the bottom of the band and staggered localized states appear near the top of the band, while a continuum of extended states appears near the band center. We find that the focusing Kerr-type nonlinearity enhances the Anderson localization of flat phased states and suppresses that of staggered states. We observe that there exists a perfect symmetry relationship for the localization length between focusing and defocusing nonlinearities. Above a critical value of the strength of nonlinearity, delocalization due to the long-range correlations of disorder is destroyed and all states become localized.     

Critical Phenomena in Systems with Pseudo-Long-Range is Disorder

Critical phenomena in systems with long(bu t finite)-range-correlated disorder of "random temperature" are studied. The disorder with correlation function g (k)~v + w/(p + k^d-a) (d is the spatial dimension) is considered. The critical behavior in an m-vector spin system with such a disorder is investigated by using renormalization-group expansion in ε = 4 - d and δ = 4 - a. The recursion relations of coupling constants for (T > T_c) are obtained. It is shown that critical phenomena in systems with such a pseudo-long-range disorder will exhibit crossover from tricritical to critical behavior for a < d. In the crossover regime the scaling relations are expected to break down.     

KdVB方程行波解的渐近分析

本文利用奇异摄动的理论和方法,研究v²?4μ时KdVB方程的行波解,得到行波解的三阶渐近展开式的显式,同时得到行波解的一般渐近展开式的表达式:u≈u⁽⁰⁾+εu⁽¹⁾+ε¹u⁽²⁾+…+εⁿu⁽ⁿ⁾+…;并且证明u^(j)(j=1,2,…,n,…)都是有界函数。 关键词：     

Effect of disorder with long-range correlation on transport in graphene nanoribbon

Transport in disordered armchair graphene nanoribbons (AGR) with long-range correlation between quantum wire contacts is investigated by a transfer matrix combined with Landauer's formula. The metal-insulator transition is induced by disorder in neutral AGR. Therein, the conductance is one conductance quantum for the metallic phase and exponentially decays otherwise, when the length of AGR approaches infinity and far longer than its width. Similar to the case of long-range disorder, the conductance of neutral AGR first increases and then decreases while the conductance of doped AGR monotonically decreases, as the disorder strength increases. In the presence of strong disorder, the conductivity depends monotonically and non-monotonically on the aspect ratio for heavily doped and slightly doped AGR, respectively. For edge disordered graphene nanoribbon, the conductance increases with the disorder strength of long-range correlated disordered while no delocalization exists, since the edge disorder induces localization.     

Quantum coherence and ground-state phase transition in a four-chain Bose–Hubbard model

We study the quantum coherence and ground-state phase transition of a four-chain Bose–Hubbard model with the long-range interaction. In a special four-chain Bose–Hubbard model,i.e., each chain only has one optical potential, four types of the ground-state phases are discovered. The effects of the disorder, the on-site interaction and the long-range interaction on the quantum coherence are studied. For the system without the long-range interaction, the quantum coherence changes from one periodic oscillation to two periodic oscillations as the onsite interaction increases. By considering the long-range interaction, the quantum coherence goes back to one periodic oscillation again. The on-site interaction itself suppresses the quantum coherence, both the on-site interaction and long-range interaction together enhance the quantum coherence with the weak disorder. If the disorder strength is increased beyond a critical value,they start to suppress the quantum coherence. In a regular four-chain Bose–Hubbard model, i.e.,each chain has many optical potentials, the ground-state phase transitions are obtained by using the cluster Gutzwiller mean-field method. Exotic ground-state phases are found, i.e., superfluid phase, integer Mott insulator phase, supersolid phase and loophole insulator phase. The combination of the loophole insulator phase and the supersolid phase expands the lobes with the half-integer filling per site for the small ratio β = t_■/t_⊥.     

有限深两层流体中内孤立波造波实验及其理论模型

将置于大尺度密度分层水槽上下层流体中的两块垂直板反方向平推, 以基于 Miyata-Choi-Camassa (MCC)理论解的内孤立波诱导上下层流体中的层平均水平速度作为其运动速度, 发展了一种振幅可控的双推板内孤立波实验室造波方法. 在此基础上, 针对有限深两层流体中定态内孤立波 Korteweg-de Vries (KdV), 扩展KdV (eKdV), MCC和修改的Kdv (mKdV)理论的适用性条件等问题, 开展了系列实验研究.结果表明, 对以水深为基准定义的非线性参数ε 和色散参数μ, 存在一个临界色散参数μ₀, 当μ < μ₀ 时, KdV理论适用于ε ≤μ 的情况, eKdV理论适用于μ < ε ≤√μ 的情况, 而MCC理论适用于ε > √μ 的情况, 而且当μ ≥μ₀ 时MCC理论也是适用的.结果进一步表明, 当上下层流体深度比并不接近其临界值时, mKdV理论主要适用于内孤立波振幅接近其理论极限振幅的情况, 但这时MCC理论同样适用.本项研究定量地表征了四类内孤立波理论的适用性条件, 为采用何种理论来表征实际海洋中的内孤立波特征提供了理论依据. 关键词： 两层流体 内孤立波 双板造波 临界色散参数