超离子导体CaF2中的Ca2+亚晶格和F-亚晶格

CaF_2在熔化以前为超离子导体相。一些实验和理论的研究表明,在超离子导体相中,Ca~(2+)仍维持原有的面心立方骨架,而F~-则在Ca~(2+)骨架中运动。早期的分子动力学模拟结果表明Ca~(2+)的均方根位移仅约0.3A,而F~-的扩散系数可达2.6×10~(-5)cm·s~(-1),已是熔盐扩散系数量级。近年来的中子散射实验表明在扩散离子和近邻离子间存在着某种动力学相关。为解释这些事实,新近Gillan的分子动力学模拟表明扩散离子伴随着F~-亚晶格变形,而Kaneko和Ueda的分子动力学模拟则表明扩散离子伴随着近邻离子在同一运动方向的相关运动。进一步的研究尚待进行。八十年代初,Nelson等人提出了描述晶体、非晶和液态中键取向的键球谐函数方法。     

静脉血流动力学模型基本波的相互作用北大核心CSCD

静脉系统是心血管系统的重要组成部分.脉搏波在血液流动中有着突出的重要性.本文主要研究静脉血流动力学模型基本波的相互作用.血流动力学模型是2×2严格双曲型方程组,其基本波包括疏散波和激波,属于血液流动中的脉搏波.基本波相互作用后血管截面面积和血流速度发生相应的变化.     

A-P-S组合策略的多重绩效及其“褪色”效应分析

为了降低城市交通拥堵及空气污染程度,本文在现有研究的基础上引入罚款政策,利用系统动力学方法原理构建了机动车污染物减排管控模型。通过仿真和比较分析来探索空气污染收费(Air pollution charging fee,简称APCF)、罚款(penalty)和补贴(subsidy)政策(简称A-P-S策略)的作用效果。研究结果表明:一方面,组合策略具有多重绩效,不但能够降低污染损失(经济-环境效益)、死亡人口的生命价值(社会-经济效益)、交通拥堵程度(社会效益)和机动车污染物总量(环境效益),而且能大大改善环境生态承载力(环境效益)和机动车非法出行增长量(社会安全绩效);另一方面,政策在实施过程中也会遇到一定的局限性,如初期的滞后性,后期的“褪色”效应和“反弹”效应,因此,从长期来看,需要及时调整组合方案。最后,根据仿真结果提出了相应的政策建议,进而为城市交通和环保等相关部门提供决策参考。     

区块链技术影响下的供应链系统动态响应性研究

为解决供应链系统中信息时滞和不对称问题,加快推动区块链技术在供应链管理中的创新发展,本文运用控制理论构建由分销商和零售商组成的二级供应链系统控制模型,引入区块链技术影响下的信息校正因子,推导系统的传递函数,通过MATLAB仿真不同需求信号下的订单可变性和库存波动。仿真结果表明:(1)区块链技术的应用提高了库存系统的精准性和稳定性;(2)高库存可变性伴随着高订单可变性;(3)指数平滑系数和区块链技术影响下的信息校正因子有效抑制供应链中的牛鞭效应;(4)信息延迟时间越长,区块链技术影响下的信息校正因子对控制系统的抑制作用越显著。本研究量化了区块链技术对供应链中牛鞭效应的影响,提高了供应链系统的精准性和稳定性,丰富了区块链技术在供应链管理中的应用,为企业管理者提供新的研究思路。     

基于异质预期的量子伯川德博弈复杂动力机制分析

针对伯川德双寡头垄断博弈经济系统中出现的混沌现象,利用量子博弈论,构建了基于有限理性与天真预期行为的量子伯川德动态博弈模型,分析了量子纠缠度对纳什均衡点稳定性及复杂动力行为的影响。结果表明:量子纠缠度能增强该系统的稳定性,企业价格调整速度达到某一程度时会导致该系统的复杂混沌特性,纠缠度可以有效控制混沌状态。最后利用数值模拟从分岔、最大李雅普诺夫指数、奇怪吸引子、初始条件敏感性及分数维数方面验证了理论准确性。     

Study of the influence of physical aging on macroradical decay in poly(methyl methacrylate)

The macroradical decay in poly(methyl methacrylate) samples with different thermal histories was investigated in the temperature interval 20–100 °C using ESR spectroscopy and the second order kinetic model. The rate constants exhibit two different regimes with the transitions atT _tr=68±1°C which are independent of thermal treatment. ForT<T _tr andT>T _tr the rate constants as well as the corresponding activation parameters are sensitive to history because of different physical microstructures. The compensation law, i.e., the linear relation between lnk _{o, eff} andE _eff, was analyzed in terms of the so-called compensation quantitiesk _c andT _c and a proximity betweenT _c=T _tr andT _o=53±3 °C — Vogel temperature for -segmental dynamics was found. A comparison of kinetic and dynamic data suggests that the decay of terminal macroradicals in the low-temperature region is controlled by secondary relaxations and that the -mobility contributes to a more rapid decay at higher temperatures belowT _g.     

Multiple separatrix crossing in multi-degree-of-freedom Hamiltonian flows

Summary We study separatrix crossing in near-integrablek-degree-of-freedom Hamiltonian flows, 2 <k < , whose unperturbed phase portraits contain separatrices inn degrees of freedom, 1 <n <k. Each of the unperturbed separatrices can be recast as a codimension-one separatrix in the 2k-dimensional phase space, and the collection of these separatrices takes on a variety of geometrical possibilities in the reduced representation of a Poincaré section on the energy surface. In general 0 l n of the separatrices will be available to the Poincaré section, and each separatrix may be completely isolated from all other separatrices or intersect transversely with one or more of the other available separatrices. For completely isolated separatrices, transitions across broken separatrices are described for each separatrix by the single-separatrix crossing theory of Wiggins, as modified by Beigie. For intersecting separatrices, a possible violation of a normal hyperbolicity condition complicates the analysis by preventing the use of a persistence and smoothness theory for compact normally hyperbolic invariant manifolds and their local stable and unstable manifolds. For certain classes of multi-degree-of-freedom flows, however, a local persistence and smoothness result is straightforward, and we study the global implications of such a local result. In particular, we find codimension-one partial barriers and turnstile boundaries associated with each partially destroyed separatrix. From the collection of partial barriers and turnstiles follows a rich phase space partitioning and transport formalism to describe the dynamics amongst the various degrees of freedom. A generalization of Wiggins' higher-dimensional Melnikov theory to codimension-one surfaces in the multi-separatrix case allows one to uncover invariant manifold geometry. In the context of this perturbative analysis and detailed numerical computations, we study invariant manifold geometry, phase space partitioning, and phase space transport, with particular attention payed to the role of a vanishing frequency in the limit approaching the intersection of the partially destroyed separatrices. The class of flows under consideration includes flows of basic physical relevance, such as those describing scattering phenomena. The analysis is illustrated in the context of a detailed study of a 3-degree-of-freedom scattering problem.     

Criteria for local equilibrium in a system with transport of heat and mass

Nonequilibrium molecular dynamics is used to compute the coupled heat and mass transport in a binary isotope mixture of particles interacting with a Lennard-Jones/spline potential. Two different stationary states are studied, one with a fixed internal energy flux and zero mass flux, and the other with a fixed diffusive mass flux and zero temperature gradient. Computations are made for one overall temperature,T=2, and three overall number densities,n=0.1, 0.2, and 0.4. (All numerical values are given in reduced, Lennard-Jones units unless otherwise stated.) Temperature gradients are up to T=0.09 and weight-fraction gradients up to w ₁=0.007. The flux-force relationships are found to be linear over the entire range. All four transport coefficients (theL-matrix) are determined and the Onsager reciprocal relationship for the off-diagonal coefficients is verified. Four different criteria are used to analyze the concept of local equilibrium in the nonequilibrium system. The local temperature fluctuation is found to be T0.03T and of the same order as the maximum temperature difference across the control volume, except near the cold boundary. A comparison of the local potential energy, enthalpy, and pressure with the corresponding equilibrium values at the same temperature, density, and composition also verifies that local equilibrium is established, except near the boundaries of the system. The velocity contribution to the BoltzmannH-function agrees with its Maxwellian (equilibrium) value within 1%, except near the boundaries, where the deviation is up to 4%. Our results do not support the Eyring-type transport theory involving jumps across energy barriers; we find that its estimates for the heat and mass fluxes are wrong by at least one order of magnitude.     

Time-resolved fluorescence relaxation of 3-methyllumiflavin in polar solution

We have studied the fluorescent properties of a well-defined model flavin compound (3-methyllumiflavin) in a relatively polar solvent like propylene glycol or ethanol. Inhomogeneous spectral broadening effects were directly time-resolved by detection at the extreme blue and red edges of the fluorescence band of 3-methyllumiflavin using excitation in the main absorption band. At the high-energy side of the emission band a rapid decay component (tens of picoseconds) was resolved indicative for the disappearance of the initially prepared, nonequilibrium state with a characteristic dipolar relaxation time. At the low-energy side the rise of a solvent relaxed fluorescent species could be time-resolved. The wavelength-dependent effects on the dipolar relaxation were abolished when excitation was at the low-energy side of the absorption band. The experimental decays of the flavin solvate at different energies of fluorescence and excitation are presented as they represent an easy diagnosis for energy dependent solvation dynamics. Wavelength dependent rotation of 3-methyllumiflavin, examined by fluorescence anisotropy decay, turned out to be absent for 3-methyllumiflavin in propylene glycol between 263 and 293 K, probably because of the small change in dipole moment upon flavin excitation.     

Molecular dynamics of cyclic and linear poly(dimethylsiloxanes)

Dielectric spectroscopy (10^–1 Hz to 10⁷ Hz) has been employed to study the molecular dynamics of a series of cyclic and linear polydimethylsiloxanes (PDMS) of various molecular weights ranging from 300 to 10 000 g/mol in the temperature range above the glass transition (from 130 K to 190 K). The observed -relaxation depends strongly on both molecular weight and structure of the samples. For linear PDMS oligomers, the -relaxation shifts towards lower temperatures with decreasing molecular weight in good accordance with the Fox-Flory-model. Cyclic PDMS reveals a qualitatively different molecular weight dependence: for a given temperature the -relaxation time increases with decreasing ring length, but has a maximum for small oligomers (degree of polymerizationn6). The shape of relaxation curves and, with it, the relaxation time distribution is independent from length and architecture of the chains The observed experimental findings are in qualitative agreement with dynamic Monte-Carlo simulations.Dedicated to Prof. E.W. Fischer on the occasion of his 65th birthday Fast macht' das WLF ihn krank, jetzt raucht er wieder, Gott sei Dank! (frei nach Wilhelm Busch)