低能He-H2(D2,T2)碰撞分波截面计算

采用Tang Toennes势模型 ,当入射氦原子能量是E =0 .0 5eV时 ,计算了He -H2 (D2 ,T2 )弹性分波截面和非弹性激发分波截面随量子数的变化。     

Quantum stereodynamics study for the reaction F + HD

This paper studies the quantum stereodynamics of the F + HD(υ = 0, j = 0) → HD + F/HF + D reaction at the collision energies of 0.52 and 0.87~kcal/mol. The quantum scattering calculations, based on Stark-Werner potential energy surfaces, show that the differential cross sections for the HF(υ' = 2) + D and DF(υ' = 3) + H channels are consistent with the recent theoretical results. Furthermore, the product rotational angular momentum orientation and alignment have been determined for some selected rovibrational states of the HF + D and DF + H channels.     

Numerical study on schramm-loewner evolution in nonminimal conformal field theories

The Schramm-Loewner evolution (SLE) is a powerful tool to describe fractal interfaces in 2D critical statistical systems, yet the application of SLE is well established for statistical systems described by quantum field theories satisfying only conformal invariance, the so-called minimal conformal field theories (CFTs). We consider interfaces in Z(N) spin models at their self-dual critical point for N = 4 and N = 5. These lattice models are described in the continuum limit by nonminimal CFTs where the role of a ZN symmetry, in addition to the conformal one, should be taken into account. We provide numerical results on the fractal dimension of the interfaces which are SLE candidates for nonminimal CFTs. Our results are in excellent agreement with some recent theoretical predictions.     

Dimensionally frustrated diffusion towards fractal adsorbers

Diffusion towards a fractal adsorber is a well-researched problem with many applications. While the steady-state flux towards such adsorbers is known to be characterized by the fractal dimension (D{F}) of the surface, the more general problem of time-dependent adsorption kinetics of fractal surfaces remains poorly understood. In this Letter, we show that the time-dependent flux to fractal adsorbers (1相似文献   

基态S和D原子的低能弹性碰撞及SD(X~2Ⅱ)自由基的准确相互作用势与分子常数

使用Gaussian03程序包提供的CCSD(T)理论及Duning等的相关一致基cc-pVnz和aug-cc-pVnZ(n=2,3,4,5),对SD(X~2Ⅱ)自由基的平衡核间距、谐振频率及相互作用势进行了计算,并拟合出了相应的光谱常数.在CCSD(T)/aug-cc-pV5Z理论水平下,光谱常数D_0,D_e,D_e,R_e,ω_e.a_e,B_o及B_e的值分别为3.65730 eV,3.77669 eV,0.13424 cm~(-1),1938.372 cm~(-1),0.09919 cm~(-1),4.88585 cm~(-1)和4.8872 cm~(-1),均与已有的实验结果相符很好.利用在CCSD(T)/aug-cc-pv5Z理论水平下获得的相互作用势,在绝热近似下通过数值求解双原子分子核运动的径向薛定谔方程,找到了J=0时SD(X~2Ⅱ)自由基的全部23个振动态,完整地求出了每一振动态的振动能级及相应的经典转折点、惯性转动常数和离心畸变常数;在1.0×10~(-11)-1.0×10~(-4)a.u.的碰撞能区内通过数值求解原子.原子散射的径向薛定谔方程,研究了基态S原子和基态D原子沿sD(X~2Ⅱ)相互作用势的弹性碰撞,计算了这一弹性碰撞的总截面和各分波截面,分析了各分波截面对总截面的影响.结果表明:总截面的形状主要由S分波截面决定,尽管直到l=4的各分波截面均有形状共振存在,但由于其强度都较弱,全部被湮没在较强的总弹性截面中.

Abstract：

The equilibrium internuclear separations, harmonic frequencies and interaction potentials have been calculated by employing the CCSD(T) theory in combination with the series of the correlation-consistent basis sets, cc-pVnZ and aug-ce-pVnZ (n = 2, 3, 4, 5), of Dunning and co-workers. The potential energy curves are all fitted to the Murrell-Sorbie functions, which are used to determine the spectroscopic parameters. At the CCSD(T)/aug-cc-pV5Z level of theory, the values of D_0, D_e, R_e, w_e, a_e,B_0 are 3.65730 eV, 3.77669 eV, 0.13424 cm~(-1), 1938.372 cm~(-1), 0.09919 cm~(-1) , 4.88585 cm~(-1) and 4.8872 cm~(-1), respectively, which conform almost perfectly with the available measurements. With the analytic interaction potential obtained at the CCSD(T)/aug-cc-pV5Z level of theory, a total of 23 vibrational states has been predicted for the first time when the rotational quantum number J is set to equal zero (J = 0) by solving the radial Schrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants are reproduced from the SD (X~2Ⅱ) potential when J = 0. The total and various partial-wave cross sections are calculated for the elastic collisions between the ground-state S and D atoms at energies from 1.0 × 10~(11) to 1.0 × 10~(-4) a.u. when the two atoms approach each other along the SD(X~2Ⅱ) interaction potential. No shape resonances can be found in the total elastic cross sections. The results show that the shape of the total elastic cross sections is mainly dominated by the s-partial wave at very low temperatures. Because of the weakness of the shape resonances coming from various partial waves, they are all covered up by the strong total elastic cross sections.     

Special electronic structures of inverse spinels LiMVO<Subscript>4</Subscript>(M = Ni and Cu): a first-principles study

We use the Ulam method to study spectral properties of the Perron-Frobenius operators of dynamical maps in a chaotic regime. For maps with absorption we show numerically that the spectrum is characterized by the fractal Weyl law recently established for nonunitary operators describing poles of quantum chaotic scattering with the Weyl exponent ν = d-1, where d is the fractal dimension of corresponding strange set of trajectories nonescaping in future times. In contrast, for dissipative maps we numerically find the Weyl exponent ν = d/2 where d is the fractal dimension of strange attractor. The Weyl exponent can be also expressed via the relation ν = d₀/2 where d₀ is the fractal dimension of the invariant sets. We also discuss the properties of eigenvalues and eigenvectors of such operators characterized by the fractal Weyl law.     

Electron impact ionisation cross sections derived from total inelastic cross section for CF3X and CF2X2 (X = H,Cl, Br and I) molecules

We report here the total ionisation cross sections for CF₃X and CF₂X₂ (X = H, Cl, Br and I) molecules by electron impact from ionisation threshold to 5 keV. The total inelastic cross section is obtained employing a quantum mechanical approach called spherical complex optical potential formalism. Then, using a semi-empirical complex scattering potential-ionisation contribution method, the ionisation cross section is derived from the inelastic cross section. The results obtained are compared with previous measurements and theoretical values, wherever available and a satisfactorily agreement is observed. The ionisation cross section values for CF₂I₂ molecule are reported for the first time.     

FRACTAL PATTERN GROWTH OF METAL ATOM CLUSTERS IN ION IMPLANTED POLYMERS

The fractal and multi-fractal patterns of metal atoms are observed in the surface layer and cross section of a metal ion implanted polymer using TEM and SEM for the first time. The surface structure in the metal ion implanted polyethylene terephthalane (PET) is the random fractal. Certain average quantities of the random geometric patterns contain self-similarity. Some growth origins appeared in the fractal pattern which has a dimension of 1.67. The network structure of the fractal patterns is formed in cross section, having a fractal dimension of 1.87. So it can be seen that the fractal pattern is three-dimensional space fractal. We also find the collision cascade fractal in the cross section of implanted nylon, which is similar to the collision cascade pattern in transverse view calculated by the TRIM computer program. Finally, the mechanism for the formation and growth of the fractal patterns during ion implantation is discussed.     

断裂表面自相似与自仿射复杂分形结构的研究

 按照分形理论研究了具有自相似和自仿射分形结构的复杂表面,并研究了其在Ⅰ型+Ⅱ型和Ⅰ型+Ⅲ型混合载荷下形成的断裂表面的应用。结果指出：分维D与粗糙度指数H之间的关系（D+H=2或D×H=1）只是粗略的近似。用分维D或粗糙度指数H测量断裂表面,在双对数图上得到的是实验曲线而不是直线并不说明没有分形结构,很可能是自相似和自仿射结构的混合。     

反应物的振动对碰撞反应(He, HD+)积分截面的影响

采用准经典轨线方法[1,2]计算了碰撞能范围为0.6～1.2电子伏时反应He+HD+ (v=1,j=0,1,2,3)→HeH++D和He+HD+ (v=1,j=0,1,2,3)→HeD++H的积分截面.通过跟有效的实验结果对比,发现计算结果略低于实验值,这可能是由于在计算中没有考虑量子效应而导致的.通过准经典轨线的计算结果与Tiwari等人的CS理论计算结果对比发现结果是基本相符合的,尤其是在几个碰撞能下几乎完全吻合.另外通过对比总结分析了V16以及V112势能面在不同的碰撞能以及不同的振转态下与CS理论计算的结果符合情况是的差异.同时重点分析了反应物的振转态对于反应的生成物以及积分截面的影响.     

Kinetics and dynamics of the S(1D2) + H2 → SH + H reaction at very low temperatures and collision energies

We report combined studies on the prototypical S(1D2) + H2 insertion reaction. Kinetics and crossed-beam experiments are performed in experimental conditions approaching the cold energy regime, yielding absolute rate coefficients down to 5.8 K and relative integral cross sections to collision energies as low as 0.68 meV. They are supported by quantum calculations on a potential energy surface treating long-range interactions accurately. All results are consistent and the excitation function behavior is explained in terms of the cumulative contribution of various partial waves.     

Hausdorff dimension for the quantum harmonic oscillator

We show that the measured path of a nonrelativistic quantum particle in a harmonic oscillator potential is a fractal curve with Hausdorff dimension equal to two.     

Electron impact ionization of sodium Rydberg atoms below 2 eV

We have observed electron impact ionization of highly excited sodium Rydberg atoms in ns and nd states, n=35-51, below E=2 eV electron kinetic energy with energy resolution 0.25 eV. Measured absolute cross sections near 0 eV range from sigma(35d) approximately 7 x 10(-10) to sigma(50d) approximately 4 x 10(-9) cm(2). The energy dependence is consistent with that of widely used binary encounter approximation cross sections, and sigma(n) follows a power law in n. The measured cross sections are 14 to 24 times larger than theoretically predicted values. This enhancement may signal the effect of large polarizabilities of high Rydberg states not yet accounted for in ionization theories.     

Role of fractal dimension in random walks on scale-free networks

Fractal dimension is central to understanding dynamical processes occurring on networks; however, the relation between fractal dimension and random walks on fractal scale-free networks has been rarely addressed, despite the fact that such networks are ubiquitous in real-life world. In this paper, we study the trapping problem on two families of networks. The first is deterministic, often called (x,y)-flowers; the other is random, which is a combination of (1,3)-flower and (2,4)-flower and thus called hybrid networks. The two network families display rich behavior as observed in various real systems, as well as some unique topological properties not shared by other networks. We derive analytically the average trapping time for random walks on both the (x,y)-flowers and the hybrid networks with an immobile trap positioned at an initial node, i.e., a hub node with the highest degree in the networks. Based on these analytical formulae, we show how the average trapping time scales with the network size. Comparing the obtained results, we further uncover that fractal dimension plays a decisive role in the behavior of average trapping time on fractal scale-free networks, i.e., the average trapping time decreases with an increasing fractal dimension.     

Ultracold inelastic collisions in two dimensions

We show that cross sections for inelastic collisions of ultracold atoms or molecules confined by a harmonic potential have the same energy dependence as in pure 2D geometry. This indicates that chemical reactions and inelastic collisions may be suppressed in an ultracold gas under strong confinement in one dimension. We present a numerical proof of the threshold collision laws in 2D. Our results indicate that inelastic collisions in weak electromagnetic fields may be controlled by varying the orientation of the external field axis with respect to the plane of confinement.     

一种基于超复数系的数字全息图像生成方法

提出了一种基于超复数系的数字全息图像生成方法，通过定义超复数系，由此构成n维向量空间，然后采用分形迭代方法在n维向量空间中选择不同截面来绘制分形图像，因而能够在高维空间生成分形数字图像序列，并能够制作出具有动态效果和美感的激光全息图。由于分形数字全息图像生成具有较好的参数可控制性和不可逆转性，全盛的防伪标专难以仿制，在激光全息防伪领域有着良好的应用前景。     

现代物理学研究中的一个新的前沿——坡密子是一个雷其化的张量胶子球(英文)

提出了坡密子就是质量～2 .2 Ge V、量子数为 IGJPC=0 + 2 + +的张量胶子球的雷其轨迹.高能质子 -质子弹性散射微分截面的研究表明 ,这个猜想与张量胶子球的实验材料完全一致的. We propose that the Pomeron is a Regge trajectory of tensor glueballs with the lightest member having a mass in the 2.2 GeV region and the quantum numbers I G J PC = 0 + 2 ++ . By using the well-established high-energy proton-proton elastic scattering differential cross sections, we show that our conjecture is fully consistent with the observed ξ production data.     

Richardson's pair diffusion and the stagnation point structure of turbulence

DNS and laboratory experiments show that the spatial distribution of straining stagnation points in homogeneous isotropic 3D turbulence has a fractal structure with dimension D(s)=2. In kinematic simulations the exponent gamma in Richardson's law and the fractal dimension D(s) are related by gamma=6/D(s). The Richardson constant is found to be an increasing function of the number density of straining stagnation points in agreement with pair diffusion occurring in bursts when pairs meet such points in the flow.     

0.5 eV时H++D2(v=0,j=0) 反应的微分、积分截面

基于ab initio势能面(KBNN PES)[1],用耦合通道超球坐标理论研究了碰撞能等于0.5 eV时H D2(v=0,j=0)的积分,微分截面.对于反应性碰撞,计算的积分截面表明由于深势阱的存在使得这一绝热反应产物的分布表现出一种近似的统计行为.计算的微分截面反映该体系存在着长寿命的中间络合物;对于非反应性碰撞(传能过程),平动—平动传能过程更有效,且其积分截面随着转动量子数的增大而显著减少.通过反应性碰撞和非反应性碰撞积分截面的比较,发现在低能碰撞情况,非反应性碰撞更容易进行.     

低能氖原子与H2(D2、T2)分子碰撞微分截面的研究

用密耦方法及Tang-Toennies势模型计算了Ne-H2(D2、T2)碰撞体系的转动激发碰撞截面,得到了H2分子的对称同位素替代情形下Ne-H2(D2、T2)三碰撞体系总截面及微分截面的变化规律.