Single-particle motion in the strongly coupled one-component plasma

We present molecular dynamics computations of the time-dependent auto-correlation function of the single-particle density in a classical one-component plasma for three thermodynamic states in the range of intermediate and strong coupling. The deviations from the Gaussian approximation are calculated and the data are analyzed by the standard memory function formalism.     

One- and two-channel Kondo model with logarithmic Van Hove singularity: A numerical renormalization group solution

Simple scaling consideration and NRG solution of the one- and two-channel Kondo model in the presence of a logarithmic Van Hove singularity at the Fermi level is given. The temperature dependences of local and impurity magnetic susceptibility and impurity entropy are calculated. The low-temperature behavior of the impurity susceptibility and impurity entropy turns out to be non-universal in the Kondo sense and independent of the s–d coupling J. The resonant level model solution in the strong coupling regime confirms the NRG results. In the two-channel case the local susceptibility demonstrates a non-Fermi-liquid power-law behavior.     

多壁纳米碳管的频率上转换效应研究

实验上测量了多壁纳米碳管的吸收光谱和光致发光谱,观察到了多壁纳米碳管的光频率上转换效应,激发波长为1064 nm,发射光谱为带状光谱,峰值波长为780 nm.由吸收光谱上观察到了纳米碳管的态密度分布的范霍夫奇点,这些奇点对应的吸收峰位置为685nm,719nm和894nm.上转换过程是纳米碳管的电子经双光子吸收,再经无辐射跃迁布居在范霍夫奇点,最后经辐射跃迁而产生荧光.     

Effect of strain-induced electronic topological transitions on the superconducting properties of [Formula: See Text] thin films

We propose a Ginzburg-Landau phenomenological model for the dependence of the critical temperature on microscopic strain in tetragonal high-[Formula: See Text] cuprates. Such a model is in agreement with the experimental results for LSCO under epitaxial strain, as well as with the hydrostatic pressure dependence of [Formula: See Text] in most cuprates. In particular, a nonmonotonic dependence of [Formula: See Text] on hydrostatic pressure, as well as on in-plane or apical microstrain, is derived. From a microscopic point of view, such results can be understood as due to the proximity to an electronic topological transition (ETT). In the case of LSCO, we argue that such an ETT can be driven by a strain-induced modification of the band structure, at constant hole content, at variance with a doping-induced ETT, as is usually assumed.     

轴向磁场对碳纳米管电子性质的影响

用紧束缚法研究了单壁碳纳米管在轴向磁场下费米能级附近电子性质的变化规律.研究发现：能隙随轴向磁场变化的快慢及磁致能隙峰值都与碳纳米管直径有着紧密联系；对于相同直径的碳纳米管，金属性管的磁致能隙峰值最大.具体计算了锯齿型碳纳米管费米能级附近电子态密度随轴向磁场的变化关系,发现所有碳纳米管的电子态密度和能隙变化都体现出周期性.磁场使得碳纳米管发生绝缘体-金属周期性相转变的根本原因是由于在磁场的作用下范霍夫奇异点出现分裂-移动-融合的周期性变化. 关键词： 磁场 碳纳米管 紧束缚法 范霍夫奇异点     

Axisymmetric vibration of single-walled carbon nanotubes in water

A double shell-Stokes flow model is developed to study the axisymmetric vibration of single-walled carbon nanotubes (SWCNTs) immerged in water. In contrast to macroscopic solid-liquid system, a submerged SWCNT is coupled with surrounding water via the van der Waals interaction. It is shown that this unique feature substantially reduces viscous damping of the axisymmetric radial, longitudinal and torsional vibrations and significantly up-shifts the frequency of the radial vibration of an SWCNT. The study offers a theoretical explanation for the experimental observation and molecular dynamics simulations available in particular cases, and provides an efficient modelling tool and useful guidance for the study of the general dynamic behaviour of SWCNTs in a fluid.     

Tracing ultrafast interatomic electronic decay processes in real time and space

Advances in laser pump-probe techniques open the door for observations in real time of ultrafast electronic processes. Particularly attractive is the visualization of interatomic processes where one can follow the energy transfer from one atom to another. The interatomic Coulombic decay (ICD) provides such a process which is abundant in nature. A wave packet propagation method now enables us to trace fully ab initio the electron dynamics of the process in real time and space, taking into account all electrons of the system and their correlations. The evolution of the electronic cloud during the ICD process in NeAr following Ne2s ionization is computed and analyzed. The process takes place on a femtosecond time scale, and a surprisingly strong response is found already in the attosecond regime.     

Repeated Interaction Quantum Systems: Van Hove Limits and Asymptotic States

We establish the existence of two weak coupling regime effective dynamics for an open quantum system of repeated interactions (vanishing strength and individual interaction duration, respectively). This generalizes known results (Attal and Joye in J. Stat. Phys. 126:1241–1283, 2007) in that the von Neumann algebras describing the system and the chain element may not be of finite type. Then (but now assuming that the small system is of finite type), we prove that both effective dynamics capture the long-term behavior of the system: existence of a unique asymptotic state for them implies the same property for the respective exact dynamics—provided that the perturbation parameter is sufficiently small. The zero-th order term in a power series expansion in the perturbation parameter of such an asymptotic state is given by the asymptotic state of the effective dynamics. We conclude by working out the case in which the small system and the chain element are spins. Dedicated to Mariana Huerta. This work was partially funded by Nucleus Millennium Information and Randomness P04-069-F.     

Theorem on the Distribution of Short-Time Particle Displacements with Physical Applications

The distribution of the initial short-time displacements of particles is considered for a class of classical systems under rather general conditions on the dynamics and with Gaussian initial velocity distributions, while the positions could have an arbitrary distribution. This class of systems contains canonical equilibrium of a Hamiltonian system as a special case. We prove that for this class of systems the nth order cumulants of the initial short-time displacements behave as the 2n-th power of time for all n > 2, rather than exhibiting an nth power scaling. This has direct applications to the initial short-time behavior of the Van Hove self-correlation function, to its non-equilibrium generalizations the Green's functions for mass transport, and to the non-Gaussian parameters used in supercooled liquids and glasses. PACS Number: 05.20.-y, 02.30.Mv, 66.10.-x, 78.70.Nx, 05.60.Cd     

Van Hove singularities in intersubband transitions in multiquantum well photodetectors

High dynamics measurements of spectral response were carried out on quantum well infrared photodetectors (QWIP). Photocurrent spectra were studied over more than three orders of magnitude, revealing the presence of spectral structures which were never observed hitherto. Electric field assisted tunneling and, more surprisingly, Van Hove singularities at the miniband edges, are shown to play an important role in the low and high energy parts of the QWIP photocurrent spectra, respectively. These experimental features motivated us to initiate a theoretical study of the absorption in a multiquantum well structure. Our work is based on the study of the electronic wave function in a periodic structure.     

Crossover between tetrahedral and hexagonal structures in liquid water

It is widely accepted that liquid water structure is comprised of two closely interweaved components; i.e. tetrahedral (low density) and hexagonal (high density) structures. The relative amount of these components is temperature and pressure dependent. We propose an order parameter, based on the radial distribution function, that quantifies the relative structural composition at any defined temperature and pressure, thus establishing the crossover point in structural dominance. At 300 K this point lies close to 2 kbar, pressure at which water looses most of its ‘anomalous’ properties.     

Signature of the ferromagnetic (T = 0) transition in real space and time

A detailed study of the spatio-temporal dynamics in several Hubbard clusters at zero temperature is performed. Small systems of two and three electrons, which could be considered representative systems of Nagaoka's, Mielke's and Tasaki's ferromagnetism, are investigated using a combination of analytical and numerical exact diagonalization techniques. The results raise the possibility that spin-dependent localization is correlated in real space and real time with the transition to a saturated ferromagnetic state. The long-time average of the expectation value of the center of mass coordinates for electrons with spin up does not coincide with that for electrons with spin down at the transition. The reason for this is that the long-time averages of the probabilities are different for states in which the spins of one system are exchanged with another. The physical origin of itinerant ferromagnetism is discussed.     

空间遥感相机长条反射镜组件的动力学特性分析

空间遥感相机长条反射镜较圆反射镜的整体刚度相差很大,整个组件在随火箭发射过程中因力学环境引起的自身位置改变导致面形的微小畸变从而对成像质量造成严重影响。因此,反射镜组件的设计就成为整个相机系统研制的重点与难点之一。对其进行科学、严谨的力学环境仿真是设计中的有效辅助手段。对某相机的长条反射镜组件动力学响应进行了较为深入的研究,借助MSC-patran,用有限元法进行了求解。获得了组件的动力学特性。     

低信噪比环境下的实时聚焦方法研究

低信噪比环境下,人们运用中值滤波与维纳滤波等作为图像预处理手段获得了一定的效果,但是图像预处理严重地影响了对焦速度。在低信噪比环境下所提出的避开图像预处理的最佳自动对焦方案为:首先,采用HSI分析法把RGB彩色图像转换为亮度信号;其次,利用能量梯度算子作为图像评价函数;最后,运用爬山算法控制策略进行自动对焦。结果表明,此方案的运算时间优势非常明显,对焦准确度最佳,可满足实时对焦系统的对焦速度与对焦准确度的要求。     

Nonequilibrium real time Green's functions and the condition of weakening of initial correlation

A new method is given to calculate real-time Green's functions in nonequilibrium from the hierarchy of equations of motion in connection with the boundary condition of weakening of initial correlations. The way of deriving a generalized quantum Boltzmann equation is shown.     

Tunable transport with broken space–time symmetries

Transport properties of particles and waves in spatially periodic structures that are driven by external time-dependent forces manifestly depend on the space–time symmetries of the corresponding equations of motion. A systematic analysis of these symmetries uncovers the conditions necessary for obtaining directed transport. In this work we give a unified introduction into the symmetry analysis and demonstrate its action on the motion in one-dimensional periodic, both in time and space, potentials. We further generalize the analysis to quasi-periodic drives, higher space dimensions, and quantum dynamics. Recent experimental results on the transport of cold and ultracold atomic ensembles in ac-driven optical potentials are reviewed as illustrations of theoretical considerations.     

Collective modes,damping, and the scattering function in classical liquids

An exact representation for the density-density response function is presented. This representation is a generalization of the result obtained in the mean field approximation and amounts to replacing the static, effective potential by one which is both wavenumber- and frequency-dependent. This potential possesses both a real and an imaginary part; the latter describes the collisional damping of collective modes. Analyticity and sum rule arguments are used to describe the basic properties of this complex potential. The formalism allows us to write an exact formula for the scattering functionS(k, ) in which the basic unknown is the collisional damping function. Using a small portion of the recent experimental data on coherent neutron scattering in liquid argon, we are able to calculateS(k, ) and other quantities of interest and to make comparisons with the rest of the data.     

Simulation Study on the Structure and Dynamics of Water in Sodium Tetrafluoroborate/Water

应用分子动力学模拟方法研究了室温条件下四氟硼酸钠(NaBF₄)/水混合体系中水分子的微观结构、IR光谱以及转动动力学. 考察了混合物体系中水分子的摩尔分数浓度分别为6.25%、25.0%、50.0%、75.0%、90.0% 和99.6%时体系的结构和动力学性质. 研究显示在不同水分子含量的混合物中水分子以自由分子存在,随着混合物中水分子摩尔分数的增加,水分子的转动和弯曲振动带红移,而O-H伸缩振动蓝移,混合物中水分子内和分子间的氢键和非谐性相互作用增强,分子平动和转动变得困难和缓慢,研究结果与实验观测一致.     

Van hove self-correlation function of a hard-disk fluid: Enskog theory and computer simulation

The van Hove self-correlation function in a hard-disk fluid is analyzed using the Lorentz-Enskog kinetic equation and the kinetic model method of solution. Numerical convergence of the model solutions is demonstrated and accurate model results are used to interpret molecular dynamics simulation data at finite wave numbers. It is found that at about 60% of freezing density the error in the Enskog theory can be mainly attributed to an underestimate of the effective self-diffusion coefficient, but at 90% freezing density a theory which treats correlated collisions is needed to describe the width behavior of the singleparticle density fluctuation spectrum.