On constrained Volterra cubic stochastic operators

We consider constrained Volterra cubic stochastic operators and construct several Lyapunov functions for the constrained Volterra cubic stochastic operators. We prove that such kind operators do not have periodic trajectories. Finally, we show that the set of all constrained Volterra cubic stochastic operators is a convex compact set and find the extreme points of this set.     

Ion transmission in an electrospray ionization-mass spectrometry interface using an S-lens

We present the design and performance of an in-house built electrospray ionization-mass spectrometry (ESI-MS) interface equipped with an S-lens ion guide. The ion source was designed specifically for our ion beam experiments to investigate the chemical reactivity and deposition of the clusters and nanoparticles. It includes standard ESI-MS interface components, such as nanoelectrospray, ion transfer capillary, and the S-lens. A custom design enables systematic optimization of all relevant factors influencing ion formation and transfer through the interface. By varying the ESI voltage and flow rate, we determined the optimal operating conditions for selected silica emitters. A comparison of the pulled silica emitters with different tip inner diameters reveals that the total ion current is highest for the largest tip, whereas a tip with the smallest diameter exhibited the highest transmission efficiency through the ESI-MS interface. Ion transmission through the transfer capillary is strongly limited by its length, but the loss of ions can be reduced by increasing the capillary voltage and temperature. The S-lens was characterized over a wide range of RF frequencies and amplitudes. Maximum ion current was detected at RF amplitudes greater than 50 V peak-to-peak (p/p) and frequencies above 750 kHz, with a stable ion transmission region of about 20%. A factor of 2.6 increase in total ion current is observed for 650 kHz as RF amplitudes reach 400 V p/p. Higher RF amplitudes also focus the ions into a narrow beam, which mitigates their losses when passing through the ion guide.     

二维拉格朗日坐标系下气粒混合双向耦合对激波流场影响的计算

喷射颗粒与气体混合是内爆压缩领域的热点和难点. 针对喷射混合中的气粒双向耦合问题, 开展了理论建模、离散算法以及颗粒反馈对激波流场的影响研究. 建立了拉格朗日计算框架下的数学模型; 给出了耦合源项的离散算法; 开展了平面及汇聚构型条件下, 气粒双向耦合的数值模拟研究; 发现了颗粒反馈导致气体激波提速现象以及气区流场物理量分布形态的改变, 初步获得了量化分析结果. 本文建立的数学模型、计算方法和获得的新的物理认识, 为深入理解喷射混合现象、解决相关工程应用问题提供了重要理论支撑.     

基于预测控制的非连续路段下移动机器人的轨迹跟踪

针对非连续路段下的轨迹跟踪问题,设计了基于观测型的预测控制器。首先建立了移动机器人的运动学模型,根据机器人的运动学模型得出了其位姿误差微分方程;然后在轨迹跟踪问题的基础上,设计了系统的观测模型,通过将预测控制器与系统的观测模型结合,设计了观测型预测控制器;最后再MATLAB环境下,利用本文所设计的控制器对移动机器人在非连续路段下的轨迹跟踪问题进行仿真,并将仿真结果与PID控制器控制的仿真结果进行对比,由仿真结果可以看出,本文所设计的控制器具有很好的鲁棒性、快速性及稳定性,可适用于移动机器人的轨迹跟踪的研究。     

Finding the transition state without initial guess: the growing string method for Newton trajectory to isomerization and enantiomerization reaction of alanine dipeptide and poly(15)alanine

We report a new, high-dimensional application of a method for finding a transition state (TS) between a reactant and a product on the potential energy surface: the search of a growing string along a reaction path defined by any Newton trajectory in combination with the Berny method (Quapp, J Chem Phys (2005), 122, 174106; we have provided this algorithm on a web page). Two given minima are connected by a one-dimensional, but usually curvilinear reaction coordinate. It leads to the TS region. The application of the method to alanine dipeptide finds the TS of the isomerisation C(7 ax) --> C(5), some TSs of the enantiomerisation of C(7 ax) from L-form to quasi-D-form, and it finds the TS region of a transition of a partly unfolded, bent structure which turns back into a mainly alpha-helix in the Ac(Ala)(15)NHMe polyalanine (all at the quantum mechanical level B3LYP/6-31G: the growing string calculation is interfaced with the Gaussian03 package). The formation or dissolvation of some alpha- or 3(10)-hydrogen bonds of the helix are discussed along the TS pathway, as well as the case of an enantiomer at the central residue of the helix.     

Kr对HF(X1Σ+)基频和泛频的影响

运用Monte-Carlo轨迹法研究了Kr(1Sg)+HF(X1Σ+;ν=1,2,3;J=4)→Kr(1Sg)+HF(X1Σ+,ν',J')的碰撞过程,从而分析Kr原子对HF基频和泛频的影响。研究表明：在初始相对平动能Et≤251.0kJ/mol时,Kr原子能够减少产生基频的粒子数反转,增加产生泛频特别是ν'=2能级的粒子数反转,并且,Kr原子有较强的弛豫高转动态（J'≥4）的能力,因此,Kr原子对HF泛频激光在提高光强和增强大气传输能力方面均有 较大的改善。     

利用概率分布计算电子束聚焦状态

世界各国的学者对电子束的聚焦性能已经做了广泛的研究,提出了许多分析电子束聚焦性能的方法,在这些方法的基础上,试图利用概率分布函数来描述电子束的聚焦过程。该方法将电子的发射看做是随机过程,并从轨迹的落点的概率分析了电子束的形状和大小,避免了杂散小峰的影响。     

The general properties of the spherical vortices (SV) ofn-TH order and the chaotic phenomena and of the ordered structures of the SV of 3RD order

The general properties of the spherical vortices (SV) of n-th order are discussed in this paper. Numerical calculations are carried out in the case of n=3. We find out some interesting phenomena concerning the chaotic regions and ordered islands on the Poincaré sections. Interpretations of these phenomena are also given. Project supported by the National Basic Research (Nonlinear Science) Foundation of China     

A computer model of pulse wave and input impedance in human arteries

To predict the propagation of pressure and flow pulses in arterial system and the variation of vascular input impedance, a branched and tapered tube model is studied through one-dimensional transient flow analysis. Coupling the continuity and momentum equations yields a group of quasilinear hyperbolic partial differential equations which can be solved numerically by using the method of characteristics. Several boundary conditions of the arterial system are also simplified suitably. The propagation of the pulses of the arterial system and the vascular input impedance is calculated on computer by using the dimensions and the physiological data of the arterial system. The results point out that the pressure and flow pulses of the arterial system and the vascular input impedance produced by this theoretical model is consistent quite well with the experimental results published.     

Structure and size distribution of percolating clusters. Comparison with gelling systems

Dynamic properties of Brownian particles immersed in a periodic potential with two barriers V₁ and V₂ (symmetric bistable potential) are studied by using the Fokker-Planck equation which we solve numerically by the matrix continued fraction method. This study will therefore serve to demonstrate the influence of this form of potential, which is of great interest for superionic conductors and for many other solid systems, on the diffusion process. Thus, we have calculated the full width at half maximum (FWHM) ) of the quasi-elastic line of the dynamic structure factor, for a large range of values of the wave-vectors q. Our results show clearly that, by varying the ratio of the barriers strictly between and 1, the Fokker-Planck equation describes a diffusive process which has some characteristic of jump and liquid-like regimes. While in the limit cases, i.e. when tends to or 1, the diffusion process can be described only by a simple jump motion. However, the jump-lengths corresponding to each limit case are not equal. In general the change of the ratio is found to have a significant effect on the character of the diffusive motion. We have also performed Fokker-Planck dynamics calculations of the diffusion coefficient in a bistable potential. We have found a good agreement between numerical calculations and analytical approximation results obtained in the high friction limit. Received 25 May 1998 and Received in final form 15 November 1998