颗粒气体的团簇行为

颗粒体系由于粒子间非弹性碰撞和摩擦等内秉的能量耗散特性,由宏观粒子形成的颗粒气体体系经常会有局部凝聚现象,这是颗粒气体体系与分子气体体系的最大区别之一。理解和预测这一现象的发生将有助于人们对远离平衡态体系的复杂现象(如有序结构、斑图和团簇形成)的认知。这种局部凝聚现象可以类比于分子气体中亚稳分解形成的液滴,将气液相分离用于解释和寻求局部凝聚现象的模型得到了分子动力学模拟的校验。但是实验的校验却由于宏观粒子运动受重力作用的影响难以在实验室中实现。实践十号卫星为我们提供了长时稳定微重力条件,使得实验观察成为可能,有望获得团簇形成及颗粒冷却行为等颗粒动力学重要实验结果。     

三维颗粒气体相分离现象

颗粒体系是一类复杂的耗散体系.在颗粒气体中,耗散性质会使其内部形成局部的凝聚,类似于真实气体中亚稳分解形成的液滴,因此被认为是颗粒气液两相分离的过程. 零重力环境下二维颗粒气体相分离现象已有成熟的流体静力学理论解释,将该理论模型推广到三维情形,发现相分离现象依然存在且具有同样的不稳定性根源,通过理论计算给出了三维相分离发生的具体条件. 同时,用分子动力学方法模拟检验了理论结果,并给出了三维颗粒气体相分离的新形貌. 关键词： 颗粒气体 耗散 相分离 分子动力学模拟     

低温与室温氢团簇流注入HL-2A装置加料效果比较

HL-2A装置超声分子束注入系统和带有低温冷阱的分子束阀门结构如图1所示。用于产生氢团簇的阀门是由美国通用阀门公司的产品（General valve series99），该阀门的喷嘴直径为0．2mm，阀门出口至边缘等离子体的距离为1．28m，低温冷阱灌人液氮冷却阀体和工作气体。本实验氢团簇是在气体射流基础上建立的，一定压力的真实气体通过小孔进入真空室绝热膨胀，导致运动气体显著冷却，原子或分子之间的相互作用力在低温状态下变弱，一个可能的结果是形成团簇。团簇的形成主要决定于气体的温度和压力，还有喷嘴的形状和尺寸，范得瓦尔斯力或原子键的强度等。目前尚无严格的理论预言团簇如何由气体射流自由膨胀而成。但是，还是有一个经验定标的参数T，称为哈竞那（Hagena）参数，用于描述团簇的形成。     

不同温度下团簇生长的Monte Carlo模拟

引入基底表面束缚能、最近邻粒子间的耦合能以及应力场,对粒子扩散势垒进行修正,采用Monte Carlo方法对不同温度下薄膜生长过程进行模拟研究.结果表明,当400 K≤T ≤ 480 K,所得团簇的平均分支宽度基本保持不变,其值近似为单粒子直径.当500 K≤T ≤ 680 K,团簇分支宽度随着温度的升高而逐渐增大至约4个粒子.随着温度的继续升高,由于粒子较高的活跃性而无法凝聚形成大团簇,团簇包含粒子数的平均值小于2.还研究了不同温度下团簇在生长过程中的形貌演化过程以及团簇数变化规律.     

HL-2A托卡马克超声分子束注入深度和加料效果研究

超声分子束注入深度与加料效率是分子束加料研究中的基本课题.在近期开展的超声分子束注入实验中，发现分子束注入深度与等离子体电子温度和密度、分子束源的气压和温度有直接关系，获得了分子束注入深度的定标律.在低温气体源(液氮冷却)的分子束注入实验中，发现分子束流中形成了团簇，其注入深度超过30 cm，分析了在低温气源分子束注入实验中的团簇现象. 关键词： 超声分子束注入 注入深度 加料效率 团簇     

闭壳层金掺杂钛氧团簇阴离子解离氢分子研究（英文）

在气相条件下,研究金掺杂氧化物团簇与氢气分子的反应,可以从分子水平上理解加氢反应中金催化剂的作用.本文利用飞行时间质谱实验研究了闭壳层金掺杂钛氧化物团簇阴离子AuTi_3O_8和AuTi_3O_7活化解离氢气分子的反应.密度泛函理论计算结果表明,在AuTi_3O_8阴离子与氢气分子反应中,氢气活化是在过氧单元与金原子协同作用下实现的,这不同于此前普遍认为的晶格氧与金原子共同活化氢气分子机理.前线轨道分析进一步表明了过氧物种可以降低氢气解离过程中的能垒,这与凝聚相中的相关实验现象一致.     

常温下氙气以及氢氙混合气体形成的团簇的特性研究

利用瑞利散射法可以对团簇的尺寸以及团簇形成的演变过程进行研究, 这种方法非常简单易行且对团簇是非破坏性的. 通过对纯氙气以及氢氙混合气体形成的团簇的瑞利散射进行测量, 研究并分析了瑞利散射强度随时间、初始背压 以及气体混合比例的变化, 由此估算了在不同情况下形成团簇的平均尺寸. 通过获得的氢氙混合气体瑞利散射强度与背压的关系I=(1.5 ×10^-5)P^6.47, 发现了混合气体中氢气对氙团簇形成的促进作用, 并从热力学和分子间作用力的角度进行了理论分析, 得到了氢氙混合气体不易于液化这一新现象, 为实现高背压下更大尺寸团簇的产生提供了可能. 所获得的结果为今后基于氙团簇的X射线产生实验, 以及基于氘氙混合气体的中子产生实验研究提供了良好的实验依据.     

随机取向烟尘团簇粒子激光散射特性研究

利用蒙特卡罗方法根据团簇-团簇凝聚(CCA)模型对由球形原始粒子凝聚而成的烟尘团簇粒子进行了模拟,用离散偶极子近似(DDA)方法研究了烟尘团簇粒子随机取向时的激光散射特性,并与等效球形粒子的激光散射特性进行了比较。结果表明,等效球形粒子的激光散射特性与随机取向烟尘团簇粒子的激光散射特性存在着明显差别,不能用等效球形粒子来代替随机取向的团簇粒子;随机取向的烟尘团簇粒子的激光散射特性受基本粒子数量和粒径的影响比较大。该结果将为进一步研究随机取向团簇粒子的形成机理、形态特性以及激光在其中的传输特性提供了一种理论方法。     

引出口的几何参数对团簇形成影响的DSMC研究

利用直接模拟蒙特卡洛方法(DSMC),模拟了气体凝聚团簇源的引出口尺寸和中心位置不同的条件下,Cu团簇的尺寸分布以及模拟了随着时间的增长,腔内团簇数目的变化.模拟结果表明:引出口的直径越大,产生大团簇的比例越小;在引出口的直径相同的情况下,引出口的中心位置偏离坐标原点比在原点产生的大团簇的比例要大;随着时间的增长,腔内团簇数目先变多后变少.     

窄带隙Pr0.6Ca0.4MnO3体系的电荷有序和多重磁化转变

研究了窄带隙Pr0.6Ca0.4MnO3体系的电荷有序及低温下的团簇玻璃现象.实验表明,样品具有典型的相分离特征,在高温区于241K左右发生电荷有序(Charge Ordering,CO)转变,在高的外加磁场下破坏了样品的电荷有序和反铁磁,使材料发生绝缘-金属转变.在低温下(T～41 K),形成自旋玻璃态(Spin Glass,SG).发现了存在于低温团簇玻璃相中的多重磁化跳跃现象,利用外场作用下AFM团簇中磁矩的翻转而导致铁磁成分的增加对实验结果给予了初步解释,证明了磁场作用对Pr0.6Ca0.4MnO3的CO与团簇玻璃态冻结之间的直接关联作用.     

Self-diffusion in granular gases: Green-Kubo versus Chapman-Enskog

We study the diffusion of tracers (self-diffusion) in a homogeneously cooling gas of dissipative particles, using the Green-Kubo relation and the Chapman-Enskog approach. The dissipative particle collisions are described by the coefficient of restitution epsilon which for realistic material properties depends on the impact velocity. First, we consider self-diffusion using a constant coefficient of restitution, epsilon=const, as frequently used to simplify the analysis. Second, self-diffusion is studied for a simplified (stepwise) dependence of epsilon on the impact velocity. Finally, diffusion is considered for gases of realistic viscoelastic particles. We find that for epsilon=const both methods lead to the same result for the self-diffusion coefficient. For the case of impact-velocity dependent coefficients of restitution, the Green-Kubo method is, however, either restrictive or too complicated for practical application, therefore we compute the diffusion coefficient using the Chapman-Enskog method. We conclude that in application to granular gases, the Chapman-Enskog approach is preferable for deriving kinetic coefficients.     

Brownian motion in granular gases of viscoelastic particles

A theory is developed of Brownian motion in granular gases (systems of many macroscopic particles undergoing inelastic collisions), where the energy loss in inelastic collisions is determined by a restitution coefficient ɛ. Whereas previous studies used a simplified model with ɛ = const, the present analysis takes into account the dependence of the restitution coefficient on relative impact velocity. The granular temperature and the Brownian diffusion coefficient are calculated for a granular gas in the homogeneous cooling state and a gas driven by a thermostat force, and their variation with grain mass and size and the restitution coefficient is analyzed. Both equipartition principle and fluctuation-dissipation relations are found to break down. One manifestation of this behavior is a new phenomenon of “relative heating” of Brownian particles at the expense of cooling of the ambient granular gas.     

Translations and rotations are correlated in granular gases

In a granular gas of rough particles the axis of rotation is shown to be correlated with the translational velocity of the particles. The average relative orientation of angular and linear velocities depends on the parameters which characterize the dissipative nature of the collision. We derive a simple theory for these correlations and validate it with numerical simulations for a wide range of coefficients of normal and tangential restitution. The limit of smooth spheres is shown to be singular: even an arbitrarily small roughness of the particles gives rise to orientational correlations.     

Effective potentials of dissipative hard spheres in granular matter

We present an experimental study of the spatial correlations of a quasi-two-dimensional dissipative gas kept in a non-static steady state via vertical shaking. From high temporal resolution images we obtain the Pair Distribution Function (PDF) for granular species with different restitution coefficients. Effective potentials for the interparticle interaction are extracted using the Ornstein-Zernike equation with the Percus-Yevick closure. From both the PDFs and the corresponding effective potentials, we find a clear increase of the spatial correlation at contact with the decreasing values of the restitution coefficient.     

Decay of energy and suppression of Fermi acceleration in a dissipative driven stadium-like billiard

The behavior of the average energy for an ensemble of non-interacting particles is studied using scaling arguments in a dissipative time-dependent stadium-like billiard. The dynamics of the system is described by a four dimensional nonlinear mapping. The dissipation is introduced via inelastic collisions between the particles and the moving boundary. For different combinations of initial velocities and damping coefficients, the long time dynamics of the particles leads them to reach different states of final energy and to visit different attractors, which change as the dissipation is varied. The decay of the average energy of the particles, which is observed for a large range of restitution coefficients and different initial velocities, is described using scaling arguments. Since this system exhibits unlimited energy growth in the absence of dissipation, our results for the dissipative case give support to the principle that Fermi acceleration seems not to be a robust phenomenon.     

Relative energy dissipation-induced effective attraction in granular mixture

This paper presents the investigation of the clustering of the intruders in a vertically vibrated granular bed by means of event-driven simulations.The results indicate that the position of intruders in the vertical direction is not a key factor for their aggregation.Energy dissipation of the intruders and host particles are calculated in the process of intruder-host and host-host collisions.The relative energy dissipation of the intruders to that of the host particles is obtained.We find that clustering of the intruders happens when the relative energy dissipation is negative.The conclusion is verified when the restitution coefficient,density and diameter of the intruders are varied.     

Rolling as a “continuing collision”

We show that two basic mechanical processes, the collision of particles and rolling motion of a sphere on a plane, are intimately related. According to our recent findings, the restitution coefficient for colliding spherical particles , which characterizes the energy loss upon collision, is directly related to the rolling friction coefficient for a viscous sphere on a hard plane. We quantify both coefficients in terms of material constants which allows to determine either of them provided the other is known. This relation between the coefficients may give rise to a novel experimental technique to determine alternatively the coefficient of restitution or the coefficient of rolling friction. Received 5 May 1999     

Self-diffusion in granular gases

The coefficient of self-diffusion for a homogeneously cooling granular gas changes significantly if the impact-velocity dependence of the restitution coefficient epsilon is taken into account. For the case of a constant epsilon the particles spread logarithmically slowly with time, whereas a velocity-dependent coefficient yields a power law time dependence. The impact of the difference in these time dependences on the properties of a freely cooling granular gas is discussed.     

Temperature Properties in Polydisperse Granular Mixtures

Numerical simulations are employed to consider the problem of determining the granular temperatures of the species of a homogeneous heated granular mixture with a power-law size distribution. The partial granular temperature ratios are studied as functions of the fractal dimension D, the restitution coefficient e, the rescaled viscosity time, the average occupied area fraction φ, the total particle number N and the number fraction. Different species of particles in a power-law system typically do not have the same mean kinetic energy, namely the granular temperature. It is found that the extent of nonequipartition of kinetic energy is determined by the fractal dimension D, the restitution coefficient e and the rescaled viscosity time, while is insensitive to the total particle number N , the area fraction φ and the number fraction.