Species selective evaporation during surface scattering of binary van der Waals clusters

We performed both experiments and molecular dynamics simulations for the scattering of mixed from a graphite surface under conditions where evaporation of thermalized small fragments is the main channel to evacuate the excess collision energy of the cluster impact. In spite of the expected thermal nature of the scattering process, we find average temperatures for the evaporating cluster particles that are considerably higher for krypton than for argon. We discuss the possible influence of the involved binding energies and the probable role of the incident cluster structure on these new results. Received: 28 January 1999     

Approximate analytical solution in slow-fast system based on modified multi-scale method

A simple, yet accurate modified multi-scale method (MMSM) for an approximately analytical solution in nonlinear oscillators with two time scales under forced harmonic excitation is proposed. This method depends on the classical multi-scale method (MSM) and the method of variation of parameters. Assuming that the forced excitation is a constant, one could easily obtain the approximate analytical solution of the simplified system based on the traditional MSM. Then, this solution for the oscillator under forced harmonic excitation could be established after replacing the harmonic excitation by the constant excitation. To certify the correctness and precision of the proposed analytical method, the van der Pol system with two scales subject to slowly periodic excitation is investigated; this system presents rich dynamical phenomena such as spiking (SP), spiking-quiescence (SP-QS), and quiescence (QS) responses. The approximate analytical expressions of the three types of responses are given by the MMSM, and it can be found that the precision of the new analytical method is higher than that of the classical MSM and better than that of the harmonic balance method (HBM). The results obtained by the present method are considerably better than those obtained by traditional methods, quantitatively and qualitatively, particularly when the excitation frequency is far less than the natural frequency of the system.     

分子法激光分离同位素中的物理化学气体动力学研究

尽管激光分离同位素(LIS)才出现十几年,但由于其突出优点,受到世界各国的重视,发展极快。其中有大量课题与力学紧密相关,但迄未见到从这两个乍看起来关系不大的学术领域的结合上作出的总结和评述。本文希望填补这一空白。1.激光同位素分离从天然矿物或人工产物中将对人类用处较大的同位素分离出来,对于国民经济和军事应用十分重要。例如,天然矿物中铀235的含量只有约0.7%;而世界      

二维Janus结构的PdSSe/石墨烯接触特性的第一性原理探究

Janus结构由于其两侧的原子不同,存在一个内建电场.在本工作中,将具有Janus结构的六角PdSSe与石墨烯复合,构成范德瓦尔斯异质结构.通过基于密度泛函理论的第一性原理计算对其几何结构和电子结构进行了研究.计算中考虑了两种堆叠方式,即Se侧与石墨烯接触和S侧与石墨烯接触.当S侧与石墨烯接触时,体系具有更小的平衡间距和更大的电荷转移,结合能更低. S侧与石墨烯接触时形成了为n型欧姆接触;Se侧与石墨烯接触时形成了势垒极低的n型肖特基接触.最后,讨论了垂直应变对接触特性的影响.通过施加垂直应变,PdSSe/石墨烯的接触类型具有显著的可调性.     

The Classical–Quantum Passage: A van der Waals Description

We undertake a van der Waals inquiry at very low temperatures so as to find signs of a classical–quantum frontier. We investigate the relation of such signs with the celebrated van der Waals gas–liquid transition. We specialize the discussion with respect to the noble gases. For such purpose, we use rather novel thermal statistical quantifiers such as the disequilibrium, the statistical complexity, and the thermal efficiency. Fruitful insights are thereby gained.     

高温高密度氢(氘)的物态方程——离解效应研究

 高温高压下流体氢将发生离解化学反应,形成具有相互作用的氢分子和氢原子混合体系,此时粒子间的相互作用复杂。利用单组分流体近似的范德瓦尔斯混合模型,将混合物粒子间的相互作用等效为单组分粒子间相互作用,从而简化了对体系的统计热力学处理;并由自由能函数极小化确定化学平衡时各组分含量、体系的内能、压强。研究了温度在10 000 K以下、密度在0.6 g/cm³以下（相应摩尔体积大于3.3 cm³/mol）区间的热致离解和压致离解现象对流体氢（氘）状态方程的影响。所得结果与双组分流体变分理论计算以及第一原理的分子动力学模拟、蒙特卡罗模拟结果以及二级轻气炮实验数据进行了比较,它们之间的一致性表明：用单组分流体近似的范德瓦尔斯混合模型处理氢（氘）分子的离解区域的物态方程是成功的。