相对论粒子的散射与低速粒子的散射

研究了相对论粒子间散射的规律,推导了相对论粒子间散射的洛伦兹因子公式.结果发现:如果两个粒子的静止质量相同,则粒子在高速时的碰撞规律和低速时的碰撞规律相同,即两个正碰粒子互换速度;如果两个粒子的静止质量不同,则粒子在高速时的碰撞规律和低速时的碰撞规律不同,高速正碰时重粒子将损失大部分能量,轻粒子的速度将接近光速,而不等于重粒子速度的2倍.     

The density matrix of scattered particles

The derivation of the expression for the density matrix of scattered particles in terms of that of the incident ones, taking different impact parameters into account, shows that under well-specified and realistic conditions, the final density matrix is of the same kind as the initial one. Thus the final mixed state after a collision can be used directly as the initial mixed state in a subsequent collision. Contrary to a recent claim by Band and Park, there are no “fundamental difficulties with quantum mechanical collision theory.”     

A convergence proof for Bird's direct simulation Monte Carlo method for the Boltzmann equation

Bird's direct simulation Monte Carlo method for the Boltzmann equation is considered. The limit (as the number of particles tends to infinity) of the random empirical measures associated with the Bird algorithm is shown to be a deterministic measure-valued function satisfying an equation close (in a certain sense) to the Boltzmann equation. A Markov jump process is introduced, which is related to Bird's collision simulation procedure via a random time transformation. Convergence is established for the Markov process and the random time transformation. These results, together with some general properties concerning the convergence of random measures, make it possible to characterize the limiting behavior of the Bird algorithm.     

Scattering and recoiling mapping of the Kr–Pt(1 1 1) system by SARIS

The technique of angle resolved mapping of scattering and recoiling imaging spectra (SARIS) combined with computer simulations is demonstrated to be a valuable tool for characterization of atomic collision events on surfaces. The energy distributions of scattered Kr and fast recoiled Pt atoms from a Pt(1 1 1) surface were measured as a function of exit angle. The use of a large area microchannel plate detector and time-of-flight techniques decreases the collection time and increases the number of detected trajectories above that of other designs. Classical ion trajectory simulations using the three-dimensional scattering and recoiling imaging code are used to simulate the kinematics of the scattering and recoiling particles. It is shown that SARIS mapping allows one to probe the kinematics of both scattered and recoiled particles, the probability for their occurrence in specific trajectories, their detection probabilities, and their threshold detection velocity. The measured and simulated energy distributions agree quantitatively if the detection efficiency is taken into account. The observed value of the threshold detection velocity for Pt atoms, ν^th=3.78(5)×10⁴ m/s, is in good agreement with previous studies.     

自扩散泳微观转动马达的介观模拟

转动的微尺度马达是一类重要的微流器件.近年来,因为其重要的应用及理论价值引起了学术界的广泛关注.本文提出了一种新型的自扩散泳驱动的微观转动马达模型.通过介观动力学模拟,验证了该模型的有效性.模拟结果表明,该自扩散泳微观转动马达可以单向地自驱动转动,并且转动速度和马达表面发生的催化化学反应速率(即自产生的浓度梯度场强弱)、以及液体分子与马达之间的相互作用有关.此外,研究了两个转动马达共存时的运动行为,重点考察了马达之间的流体力学相互作用和浓度梯度场效应对马达转动的影响.该自扩散泳微观转动马达为设计实用的微流器件提供了新的思路和参考,也为研究活性胶体系统的集体行为提供了理想模型.     

Computer simulation of the collision frequency of two particles in optical tweezers

Optical tweezers have been successfully used in the study of colloid science. In most applications people are concerned with the behaviour of a single particle held in the optical tweezers. Recently, the ability of the optical tweezers to simultaneously hold two particles has been used to determine the stability ratio of colloidal dispersion. This new development stimulates the efforts to explore the characteristics of a two-particle system in the optical tweezers.An infinite spherical potential well has been used to estimate the collision frequency for two particles in the optical trap based on a Monte Carlo simulation. In this article, a more reasonable harmonic potential, commonly accepted for the optical tweezers, is adopted in a Monte Carlo simulation of the collision frequency. The effect of hydrodynamic interaction of particles in the trap is also considered. The simulation results based on this improved model show quantitatively that the collision frequency drops down sharply at first and then decreases slowly as the distance between the two particles increases. The simulation also shows how the collision frequency is related to the stiffness of the optical tweezers.     

基于自回归模型的超细颗粒动态光散射模拟

为了获取超细颗粒动态散射光模拟信号, 在分析超细颗粒动态散射光信号特性的基础上, 通过建立动态光散射随机过程的自回归(AR)模型, 利用Levison-Durbin递推算法确定模型参数, 并给出了单峰、双峰分布颗粒信号模拟的模型阶数确定方法, 从而提出了一种基于AR模型的态光散射信号模拟方法。分别对50 nm, 300 nm, 1000 nm, 50 nm与1000 nm, 100 nm与500 nm, 300 nm与1000 nm的单峰、双峰分布颗粒在模型阶数分别为1, 1, 1, 57, 28, 40时进行了模拟, 得到的模拟信号的光强自相关函数与理论值吻合, 用累积法对单峰分布颗粒反演和双指数法对双峰分布颗粒反演, 相对误差分别小于0.58%和3.7%, 因此, 单峰分布颗粒信号模拟需一阶模型, 双峰分布颗粒信号模拟粒径不同所需阶数不同。     

Time-irreversibility is hidden within Newtonian mechanics

ABSTRACT

We develop a bit-reversible implementation of Milne's fourth-order predictor algorithm so as to generate precisely time-reversible simulations of irreversible processes. We apply our algorithm to the collision of two zero-temperature Morse-potential balls, which collide to form a warm liquid oscillating drop. The oscillations are driven by surface tension and damped by the viscosities. We characterise the ‘important’ Lyapunov-unstable particles during the collision and equilibration phases in both time directions to demonstrate the utility of the Milne algorithm in exposing ‘Time's Arrow’.     

Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations

A local Maxwellian thermostat for the multiparticle collision dynamics algorithm is proposed. The algorithm is based on a scaling of the relative velocities of the fluid particles within a collision cell. The scaling factor is determined from the distribution of the kinetic energy within such a cell. Thereby the algorithm ensures that the distribution of the relative velocities is given by the Maxwell–Boltzmann distribution. The algorithm is particularly useful for non-equilibrium systems, where temperature has to be controlled locally. We perform various non-equilibrium simulations for fluids in shear and pressure-driven flow, which confirm the validity of the proposed simulation scheme. In addition, we determine the dynamic structure factors for fluids with and without thermostat, which exhibit significant differences due to suppression of the diffusive part of the energy transport of the isothermal system.     

基于负氢离子源的全三维PIC/MCC模拟算法研究

在分析负氢离子源中等离子体物理机理基础下, 研究并优化粒子模拟算法, 设计高效的粒子存储方法. 研究并运用粒子碰撞蒙特卡罗方法, 考虑等离子体势以及带电粒子间库仑碰撞, 研制了全三维粒子模拟/蒙特卡罗算法(PIC/MCC). 采用磁荷模型, 运用时域有限差分方法计算多峰磁场, 并结合国外负氢离子源JT-60U, 考虑负氢离子源中主要反应, 对全三维PIC/MCC模拟算法模拟验证.     

On Collisions Times of ‘Self-Sorting’ Interacting Particles in One-Dimension with Random Initial Positions and Velocities

We investigate a one-dimensional system of N particles, initially distributed with random positions and velocities, interacting through binary collisions. The collision rule is such that there is a time after which the N particles do not interact and become sorted according to their velocities. When the collisions are elastic, we derive asymptotic distributions for the final collision time of a single particle and the final collision time of the system as the number of particles approaches infinity, under different assumptions for the initial distributions of the particles’ positions and velocities. For comparison, a numerical investigation is carried out to determine how a non-elastic collision rule, which conserves neither momentum nor energy, affects the median collision time of a particle and the median final collision time of the system.     

放疗绝对剂量的数学算法模型

本文提出一种通过物理模型计算放疗过程中每一个组织深度处绝对剂量的算法,它可代替蒙特卡罗仿真的部分工作且耗费时间更少.这个算法是基于对照射野内X射线产生电子的能量注量的积分运算,并考虑了射线的能谱及二次散射线,得到了后向散射对表面剂量的贡献比例,同时得到前向散射、后向散射及原射线剂量贡献的关系.比较了二次光子和二次电子的三维能谱,得出该能谱是粒子注量关于粒子能量和粒子运动方向的函数.为了得到每一深度处的光子注量,计算了有连续能谱的X射线的期望质量衰减系数.上述算法计算得到的绝对剂量与蒙特卡罗方式仿真的结果趋势一致,两者的差异在于算法未考虑高于二次的散射线.最后将算法应用到非均匀模体剂量计算,能准确反映其中剂量分布特点且具有较小的误差.     

Application of the dissipative particle dynamics method to magnetic colloidal dispersions

The validity of the application of the dissipative particle dynamics (DPD) method to ferromagnetic colloidal dispersions has been investigated by conducting DPD simulations for a two–dimensional system. First, the interaction between dissipative and magnetic particles has been idealized as some model potentials, and DPD simulations have been carried out using such model potentials for a two magnetic particle system. In these simulations, attention has been focused on the collision time for the two particles approaching each other and touching from an initially separated position, and such collision time has been evaluated for various cases of mass and diameter of dissipative particles and model parameters, which are included in defining the equation of motion of dissipative particles. Next, a multi–particle system of magnetic particles has been treated, and particle aggregates have been evaluated, together with the pair correlation function along an applied magnetic field direction. Such characteristics of aggregate structures have been compared with the results of Monte Carlo and Brownian dynamics simulations in order to clarify the validity of the application of the DPD method to particle dispersion systems. The present simulation results have clearly shown that DPD simulations with the model interaction potential presented here give rise to physically reasonable aggregate structures under circumstances of strong magnetic particle–particle interactions as well as a strong external magnetic field, since these aggregate structures are in good agreement with those of Monte Carlo and Brownian dynamics simulations.     

Statistical approach to light scattering by convex ice crystals

Within the geometric optics approximation, the phase functions of randomly oriented ice crystals are calculated as a series relative to multiplicity of internal collisions of light inside the particles. In the case of convex crystals, it is shown that the coefficients of the series provide the most information about the crystal shapes, while the angular functions of this series are weakly dependent on the shapes. The prevailing role of the term corresponding to one internal collision is emphasized. Three numbers describing a distribution of the single-collision scattered light among the aureole and halos of 22 degrees and 46 degrees prove to be the basic parameters by which to characterize scattering by hexagonal ice crystals.     

Non-equilibrium momentum exchange algorithm for molecular dynamics simulation of heat flow in multicomponent systems

A new non-equilibrium molecular dynamics algorithm is presented based on the original work of Müller-Plathe, (1997, J. chem. Phys., 106, 6082), for the non-equilibrium simulation of heat transport maintaining fixed the total momentum as well as the total energy of the system. The presented scheme preserves these properties but, unlike the original algorithm, is able to deal with multicomponent systems, that is with particles of different mass independently of their relative concentration. The main idea behind the new procedure is to consider an exchange of momentum and energy between the particles in the hot and cold regions, to maintain the non-equilibrium conditions, as if they undergo a hypothetical elastic collision. The new algorithm can also be employed in multicomponent systems for molecular fluids and in a wide range of thermodynamic conditions.     

A high-order Monte Carlo algorithm for the direct simulation of Boltzmann equation

A high-order algorithm of the direct simulation Monte Carlo (DSMC) method, H-DSMC, has been developed to simulate rarefied flow regimes. The mth order Taylor series expansion has been employed to obtain a more generalized form of the time discretization for the collision part of Boltzmann equation. In the purposed algorithm, the higher order collision terms are introduced as well as higher order terms in the time step of the probabilistic coefficients. These newly implemented higher order terms improve the accuracy and efficiency of the solution and enhance the convergence rate quite significantly. Comparison between results of the classic DSMC method and the H-DSMC method shows the promising performance of the introduced technique.     

驻波声场中单分散细颗粒的相互作用特性

利用外加声场促进悬浮在气相中的细颗粒发生相互作用,进而引起颗粒的碰撞和凝并,使得颗粒平均粒径增大、数目浓度降低,是控制细颗粒排放的重要技术途径.为探究驻波声场中单分散细颗粒的相互作用,建立包含曳力、重力、声尾流效应的颗粒相互作用模型,采用四阶经典龙格-库塔算法和二阶隐式亚当斯插值算法对模型进行求解.将数值模拟得到的颗粒声波夹带速度和相互作用过程与相应的解析解和实验结果进行对比,验证模型的准确性.进而研究颗粒初始条件和直径对相互作用特性的影响.结果表明,初始时刻颗粒中心连线越接近声波波动方向、颗粒位置越接近波腹点,颗粒间的声尾流效应就越强,颗粒发生碰撞所需要的时间就越短.研究还发现,颗粒直径对颗粒相互作用的影响取决于初始时刻颗粒中心连线偏离声波波动方向的程度.当偏离较小时,颗粒直径越大,颗粒发生碰撞所需要的时间越短;当偏离很大时,直径较小的颗粒能够发生碰撞,而直径较大的颗粒则无法发生碰撞.     

库仑碰撞截面在等离子体粒子模拟中的应用

在等离子体粒子模拟中,TA模型和NanBu模型被广泛用于处理库仑碰撞,这两种模型要求每个时间步长内全部粒子参与计算。为了降低参与碰撞的粒子数,提高库仑碰撞的计算效率,提出了一种基于截面的库仑碰撞模拟方法,并给出了库仑碰撞概率的计算公式。采用该方法对不同温度不同密度电子气的弛豫过程进行模拟,分别对比了电子速度分布函数、电子温度以及电子x、y方向上的温度与电子温度之比的模拟值与理论值,验证了该方法的准确性。在相同的小时间步长上,该方法相比TA模型计算效率提升可达40%以上。对于较大的时间步长,该方法仍能得到与理论解近似的模拟结果,相比Nanbu模型,在相同的精度下可取更大的时间步长,计算效率也有所提升。研究表明,该方法同样适用于电子-离子碰撞。因此在提高库仑碰撞计算效率上,该方法具有碰撞粒子数少以及适用于大时间步长的优势。     

Field Induced Stationary State for an Accelerated Tracer in a Bath

Our interest goes to the behavior of a tracer particle, accelerated by a constant and uniform external field, when the energy injected by the field is redistributed through collision to a bath of unaccelerated particles. A non equilibrium steady state is thereby reached. Solutions of a generalized Boltzmann-Lorentz equation are analyzed analytically, in a versatile framework that embeds the majority of tracer-bath interactions discussed in the literature. These results??mostly derived for a one dimensional system??are successfully confronted to those of three independent numerical simulation methods: a direct iterative solution, Gillespie algorithm, and the Direct Simulation Monte Carlo technique. We work out the diffusion properties as well as the velocity tails: large v, and either large ?v, or v in the vicinity of its lower cutoff whenever the velocity distribution is bounded from below. Particular emphasis is put on the cold bath limit, with scatterers at rest, which plays a special role in our model.     

受碾区域内颗粒轴向流动特性的离散元模拟

为探讨受碾状态颗粒的稳定流动, 在碾辊轴与筛筒组成的受碾区域内, 建立了轴向运动的颗粒流离散元物理模型. 研究结果表明: 受碾区域内各颗粒沿轴向运动能力的差异造成了颗粒流密度不均匀; 颗粒与筛筒间的静摩擦系数影响颗粒轴向流动的形态、速率及集散程度, 受碾区域内单层颗粒的轴向均方偏差与流动时间的平方正相关, 属于“super”扩散; 整体分析受碾区域发现, 颗粒的轴向平均速度沿轴向坐标逐渐增大, 而颗粒的三轴合成平均速度沿轴向坐标逐渐降低; 受碾区域内各轴向位置处颗粒运动的剧烈程度不同, 沿轴向坐标颗粒的波动速度平方呈现先增大后降低而后又增大的趋势; 单颗粒的碰撞总能量损失能谱也表明了颗粒运动程度不同, 即轴向流动时在受碾区域的前半段碰撞剧烈, 能量损失多, 在后半段碰撞程度弱, 能量损失较少. 通过对受碾区域内颗粒流动的数值模拟分析, 明晰了颗粒在受碾条件下稳定流动特性, 有益于碾磨工业对产品品质控制及设备参数优化的研究.