水下同步扫描三角测距成像理论建模及仿真分析

针对激光同步扫描三角测距成像系统水下应用时,考虑不同介质界面的折射效应,通过理论建模,得出水下同步扫描三角测距成像系统的空间三维坐标测量关系表达式。分析了基线距离、接收透镜焦距等系统主要参数对距离测量分辨率的影响,以及成像探测器长度对测量范围的影响。仿真结果表明:增大基线距离和接收透镜焦距,有利于提高距离测量分辨率,增加成像探测器长度,有利于增大系统测量范围,为水下同步扫描三角测距成像系统的设计提供了理论依据。     

Theoretical characterization of layered silica nanostructures from first-principles prediction

Using first-principles calculations, we study the structural, mechanical and electronic properties of the layered silica nanostructures built on base of silica bilayers consisting of four- and six-membered Si–O ring (4 MR and 6 MR) units. These silica nanostructures have high stability and good flexibility comparable to graphene and can serve as a promising precursor for the fabrication of well-ordered silica nanotubes. The porous structure and wide band gap of the silica nanomaterials may find applications in gas separation, slow-release microcapsules, and catalyst supports.     

Monte Carle simulation of quantum transport through nanostructures

We describe a numerical scheme of combining Monte Carlo procedure and quantum scattering theory to simulate electron transport processes through nanostructures. The transport of electrons through a nanostructure is a highly nontrivial nonequilibrium process in which we should consider the interplay of (i) complicated many-body quantum states in nanostructure, (ii) thermal relaxation processes keeping the leads (electron reservoirs) in local equilibrium, (iii) the coupling between the leads and the nanostructure, and (iv) the bias causing nonequilibrium, current, and evolution of quantum states in the nanostructure. Considering the quantum coherence within the nanostructure, we include the degrees of freedom of the nanostructure and a single tunneling electron and solve the Schrödinger equation for the many-body states to obtain the scattering matrix in the Fock space from which both the transmission of the electron and the variation of the states in nanostructure can be full quantum-mechanically calculated. The transport is investigated by the Monte Carlo simulation of successive scattering events of single electrons which are sampled with the Metropolis scheme governed by the scattering probabilities, the thermal statistics in the leads, and the applied bias. By this way from a given initial nanostructure state we can calculate the time evolutions of the current and the internal state. As examples we investigate the transmission of electrons through a two-level system. It is shown that the proposed method can properly deal with the inelastic effects in transport processes.     

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

We derive and extend the time-dependent surface-flux method introduced in [L. Tao, A. Scrinzi, New J. Phys. 14, 013021 (2012)] within a time-dependent density-functional theory (TDDFT) formalism and use it to calculate photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses. We present other, existing computational TDDFT methods that are suitable for the calculation of electron emission in compact spatial regions, and compare their results. We illustrate the performance of the new method by simulating strong-field ionization of C₆₀ fullerene and discuss final state effects in the orbital reconstruction of planar organic molecules.     

Self-organized nanostructures in surface chemical reactions: Mechanisms and mesoscopic modeling

Nanoscale patterns can form in reactive adsorbates on catalytic surfaces as a result of attractive lateral interactions. These structures can be described within a mesoscopic theory that is derived by coarse graining the microscopic master equation thus providing a link between microscopic lattice models and reaction-diffusion equations. Such mesoscopic models allow to systematically investigate mechanisms responsible for the formation of nanoscale nonequilibrium patterns in reactive condensed matter. We have found that stationary and traveling nanostructures may result from the interplay of the attractive lateral interactions and nonequilibrium reactions. Besides reviewing these results, a detailed investigation of a single reactive adsorbate in the presence of attractive lateral interactions and global coupling through the gas phase is presented. Finally, it is outlined how a mesoscopic theory should be constructed for a particular scanning tunneling microscopy experiment [the oxidation of hydrogen on a Pt(111) surface] in order to overcome the failure of a corresponding reaction-diffusion model to quantitatively reproduce the experiments. (c) 2002 American Institute of Physics.     

Theoretical modeling of bifunctional multilayer systems

Crystalline multilayer systems with structure ABABA... offer the possibility of combining functional properties of two distinctly different materials, and of exploiting the interfaces to couple functionality of one component to the other. The multilayer environment permits the amplification of interface properties as would be important for device applications. The manipulation of ferroelectric, ferromagnetic, and/or ferroelastic properties in so-called ferroic materials through growth of thin films, multilayers, and graded composition structures has received considerable experimental and theoretical attention in recent years. We survey the current status of atomic-scale modeling of multilayer systems which could exhibit ferroic behavior; i.e., spontaneous order below a critical temperature and hysteresis in stimulus-response behavior. The roles of interfacial strain, chemical variability at the interface, and film thickness are explored, taking as a primary example the classic BaTiO₃?∣∣Fe₃O₄ ferroelectric∣∣ferrimagnetic interactions. First principles band structure calculations are used to determine relaxed interface structures and residual stresses, as well as the underlying electronic distributions. Embedded cluster methods are then used to extract local chemical bonding characteristics and hyperfine properties.     

阳极杆箍缩二极管的理论模型及物理特性

闪光X射线源是获得高凝聚态物质内部物理图像的重要手段,阳极杆箍缩二极管(RPD)作为其重要组成部分之一,直接影响闪光X射线源照相质量。研究RPD物理特性对二极管物理结构优化设计及实验调试具有重要意义。分析了RPD空间电荷限制、弱箍缩和磁绝缘阶段物理模型。基于PIC模拟技术,编写了计算程序,研究了RPD不同阶段的电子电流、离子电流及电子束箍缩物理特性。通过理论分析,获得了特定几何结构RPD物理模型修正系数及各个阶段离子电流与电子电流比,验证了粒子模拟代码的有效性。模拟结果表明：空间电荷限制阶段,粒子模拟结果与双极性流计算结果一致;在弱箍缩和磁绝缘阶段,粒子模拟得到的总电流与磁绝缘模型计算结果一致,且与文献给出的经验拟合表达式计算结果一致;磁绝缘阶段离子电流与电子电流之比与电压和二极管几何结构相关,给出了离子电子电流比增大系数η与电压和阴阳极半径比的关系,该系数受电子、离子在不同结构二极管渡越时间的影响,随电压和阴阳极半径比增加而逼近恒定值。     

Theoretical modeling of microwave-pumped high-pressure gas lasers

The electron avalanche and laser excitation processes in high-pressure discharges at microwave frequencies are investigated. In our model, the applied electromagnetic field is treated classically and assumed to be monochromatic. The Boltzmann equation for the electron velocity distribution function under the influence of an alternating electric field is numerically solved for a typical XeCl laser gas mixture. All relevant elastic, inelastic and electron-electron collisions are included in solving the Boltzmann equation. The theoretical modeling of microwwave-pumped high-pressure gas lasers are developed based on the first law of thermodynamics in order to determineE _rms/n (root-mean-square field strength/total number density of gas molecules) which is required by the Boltzmann equation to calculate the electron kinetics rates and microwave-power absorption by the plasma. A sample calculation of the microwave-pumped XeCl laser is presented, and a fair agreement between theory and experiment is seen.Paper partially presented at the 10th Int. Conf. on Lasers and Applications, Lake Tahoe, Nevada, USA (1987)     

α粒子散射实验的理论模拟

本文在α粒子一次散射理论的基础上,进一步考虑了第二个原子对散射概率的贡献,建立了散射角与各散射参数间的关系.通过改变α粒子的入射能量以及两原子的位置参量,较好地模拟了各种情况下的散射概率随散射角的分布情况.     

正对撞束束补偿的理论和模拟研究

束束效应是限制对撞机性能提高的重要因素,其限制作用可以通过补偿机制来改善。针对正对撞束束效应,提出两种实现束束补偿的对撞机结构,并对实现束束补偿的原理和需要满足的条件进行分析。提出利用能量回收型直线加速器产生的电子束流进行正对撞束束补偿的方案,并且基于超级质子质子对撞机进行模拟研究,研究了补偿前后束流粒子分布、频移和粒子损失等变化情况。束束补偿可以减小束团内部粒子的频散,减小束流损失,提高束流寿命,可以大幅提高单束团流强,从而提高对撞机亮度。     

Lattice Boltzmann modeling and simulation of compressible flows

In this mini-review we summarize the progress of Lattice Boltzmann (LB) modeling and simulating compressible flows in our group in recent years. Main contents include (i) Single-Relaxation-Time (SRT) LB model supplemented by additional viscosity, (ii) Multiple-Relaxation-Time (MRT) LB model, and (iii) LB study on hydrodynamic instabilities. The former two belong to improvements of physical modeling and the third belongs to simulation or application. The SRT-LB model supplemented by additional viscosity keeps the original framework of Lattice Bhatnagar-Gross-Krook (LBGK). So, it is easier and more convenient for previous SRT-LB users. The MRT-LB is a completely new framework for physical modeling. It significantly extends the range of LB applications. The cost is longer computational time. The developed SRT-LB and MRT-LB are complementary from the sides of convenience and applicability.     

Theoretical study of electric conductance through nanostructures in terms of the phase-shift

A simple expression of the electric conductance through a nanostructure connected to two electrodes is obtained by using the phase-shift analysis. The Green function theory applicable to the nonequilibrium system is employed to formulate the electric conductance. The 0 bias limit, i.e., the linear response approximation is taken. The relation between Green functions and phase-shifts is obtained by extending the method applied to the single impurity problem in the metal. It is shown that a channel does not contribute to the conductance if its phase-shift is an integer multiple of π. Also shown is the importance of the effect due to multiple orbitals in nanostructures. Some concrete examples leading to simpler forms are given.     

Micromagnetic modeling of magnetization dynamics driven by spin-transfer torque in magnetic nanostructures

Magnetization orientation of a nanoscale ferromagnet can be manipulated by an electric current via spin-transfer torque(STT) effect,which holds great promise in the applications of non-volatile magnetic random access memory(MRAM) and spintorque oscillators.We review the fundamental mechanism and experimental progress of the STT effect.Then,different formula of STT torque has been classified,which can be added to the conventional Landau-Lifshitz-Gilbert equation.After that,we show some simulation results that mainly concern the STT-driven vortex dynamics,magnetization oscillations excited by a perpendicular polarizer,and the detail dynamics by in-plane and out-of-plane dual spin polarizers.     

Molecular dynamics simulation of silver bromide nanostructures in single-walled carbon nanotubes

Nanostructures formed upon filling single-walled carbon nanotubes of different diameters (ranging from 11.5 to 17.6 ?) with silver bromide have been investigated using the molecular dynamics method. The results of molecular dynamics computer simulation have demonstrated that, in such tubes, AgBr nanotubes in the form of rolled-up two-dimensional crystalline networks (including structures both with a trigonal coordination and with a tetragonal coordination of ions) can be produced as well as fragments of the NaCltype structure, which is typical of bulk AgBr crystals. In the initial stage of their filling, the carbon nanotubes in the silver bromide melt are deformed, on average, to a greater extent than those in a similar system with AgI. After taking out from the melt, the degree of deformation of the nanotubes decreases and, in the majority of cases, AgBr nanotubular structures based on a hexagonal network are formed inside them.     

Theoretical simulation of photovoltaic response of graphene-on-semiconductors

Using the fundamental models for voltage and current, we report on the photovoltaic behavior of graphene-on-semiconductor-based devices. The graphene-n-Si and graphene-n-GaAs systems are studied for open-circuit voltage (V _OC) and short-circuit current density (J _SC) under low- and high-level injection conditions. The effects of semiconductor doping density and surface recombination velocity on the V _OC of both systems are investigated. The V _OC for graphene-n-Si under low- and high-level injection conditions are found to be 0.353 V and 0.451 V, respectively, whereas the V _OC for graphene-n-GaAs under low- and high-level injection conditions are 0.441 V and 0.471 V, respectively. The J _SC for graphene-n-Si under low- and high-level injection conditions are calculated as 3 mAcm^?2 and 4.78 mAcm^?2, respectively, whereas the J _SC for graphene-n-GaAs under low- and high-level injection conditions are 5.2 mAcm^?2 and 6.68 mAcm^?2, respectively. These results are in good agreement with the reported experimental work.     

Theoretical modeling and characteristic analysis of moving-train induced ground vibrations

An integrated train-track-subsoil dynamic interaction model of moving-train induced ground vibration is developed on the basis of vehicle dynamics, track dynamics and the Green's functions of subsoil. The model takes account of the vibrations of vehicle components, the quasi-static axle loads and the dynamic excitations between the wheels and track. The analyzed results from an example show that the ground vibration characteristics have a close relationship with train speed and soil properties; the dynamic responses excited by wheel-track irregularity have big influence on the high frequency components of ground vibration; with the increase of distance to the track, the ground acceleration has the tendency of decrease, and the relevance of acceleration curves and train excitation becomes less obvious; the intersections of moving load speed-lines and subsoil dispersion curves are some resonance frequencies that cause the amplification of ground vibrations; there exists a critical speed for moving train that is close to the minimum velocity of the Rayleigh's wave in the subsoil.     

两级同轴Blumlein线理论及其模拟分析

利用拉普拉斯变换求解两级同轴Blumlein线对负载的放电过程,得到了纯电阻负载上理想输出电压的解析表达式。分析了开关电感、负载电感及回路电感对负载主脉冲的影响。对PSpice模拟的结果与推测的负载电压表达式进行对比,两者符合得较好。分析结果表明:脉冲的前沿主要是由开关电感决定,而平顶幅值的变化趋势主要是由回路电感决定;开关电感越小,上升沿越小,回路电感越大;脉冲输出电压和能量传输效率越高。