纳米粒子与单晶硅表面碰撞的反弹机理研究

应用分子动力学方法模拟了纳米粒子与单晶硅(001)表面碰撞、反弹飞离的现象，分析了粒子的反弹行为、基体弹性形变和塑性形变的原子构型特征，以及碰撞过程的能量转化.碰撞后单晶硅表面形成半球形的小坑，小坑周围的基体原子呈非晶态.碰撞过程中与颗粒相邻的基体原子立即非晶化，在非晶层外面基体以可恢复的(111)［110］滑移结构存储弹性形变能.在射入过程，基体发生压缩弹性形变；颗粒反弹时基体势能振荡下降,交替形成压缩形变构型和拉伸形变构型.射入过程中存贮的压缩弹性形变能的释放为颗粒提供了反弹、飞离的能量. 关键词： 碰撞 纳米粒子 单晶硅表面 分子动力学模拟     

Adaptive collision meshing and satellite droplet formation in spray simulations

Improved numerical methods and physical models have been applied to droplet collision modeling. Numerically, an adaptive collision mesh method is developed to calculate collision rate. This method produces a collision mesh that is independent of the gas phase mesh and adaptively refined according to local parcel number density. An existing model describing the satellite droplet formation during the collision process is improved to reflect the experimental findings that the satellite droplets are much smaller than the parent droplets. The adaptive collision mesh and the improved satellite model have been used to simulate three impinging spray experiments. The model was able to qualitatively predict the occurrence of small satellite drops and bi-modal post-collision drop size distributions. The effect of the collision mesh and the satellite droplet model on a high-speed non-evaporating diesel spray is also assessed.     

与铷（5^2S1／2）原子碰撞产生的铷7^2D态精细结构转移截面

本文报道使用蒸汽泡和两光子两步激发方法,测量原子激发态敏化荧光I_(3/2)~1和直接荧光I_(3/2)~2其与温度的关系,得到与基态(5~2S_(1/2)铷原子碰撞产生的铷7~2D_(5/2)→7~2D_(3/2)和7~2D_(3/2)→7~2D_(5/2)精细结构转移截面分别为:σ_(fs)=4.7×10~(-13)cm~2、σ_(fs)~’=7.0×10~(-13)cm~2;碰撞转移出7~2D双态的转移截面σ_(tr)(5/2)=0.62×10~(-13)cm~2.由计算的7~2D态几何截面σ_(geom)能够相对很好地描述σ_(fs)和σ_(fs)~’的数量级.     

排烟增湿脱硫活化反应器内液滴──脱硫剂颗粒碰撞的数值模拟

排烟增湿脱硫活化反应器内液滴──脱硫剂颗粒碰撞的数值模拟唐庆，徐旭常（清华大学热能工程系北京１０００８４）关键词液滴－颗粒碰撞，脱硫，数值模拟要有效的控制ＳＯＺ的污染，降低燃煤电厂排烟中ＳＯＺ的浓度显得尤为重要。在众多的烟气脱硫技术中，排烟增湿活化脱...     

Nonadiabatic collision model calculations of ion-pair formation cross sections of Cs+O2→Cs++O

This paper has improved Hickman's nonadiabatic collision model by substituting Hickman's constant velocity classical straight line trajectory approximation with the solution of motion equation mR=?dV(R)/dR, and has calculated the cross sections of ion-pair formation Cs+O₂→Cs⁺+O^?₂ with the improved nonadiabatic collision model (INCM). A comparison of our results with other theoretical and experimental results has been made.     

Cs-He光学碰撞中的非绝热跃迁

激光激发Cs He碰撞复合物,测量了Cs(62P)精细结构布居数分支比,由此证实了发生在光学碰撞中的非绝热跃迁.激光频率从Cs(6P3/2)红翼30cm-1调至蓝翼30cm-1,在6P3/2的近翼,分支比与矢谐量有很大的关系.同时测量了Cs(6PJ)态的精细结构转移截面,截面值σ21=9.8×10-19cm2.     

椭圆曲线素阶群上的离散对数求解

该文对解椭圆曲线上离散对数的Pollard ρ算法和并行碰撞搜索算法分别建立了它 们的图论模型和分析了碰撞技巧,比较了两个算法,进而提出了设计迭代函数的准则并 给出一个改进的并行碰撞算法.     

竖直振动颗粒物厚层中冲击力分岔现象

实验研究了竖直振动颗粒物厚层中颗粒对容器底部的压力. 发现这种压力是脉冲式的，并表现出受振动加速度控制的倍周期分岔现象. 在颗粒层底部观察到颗粒密堆积在一起的聚集态. 聚集态内颗粒的自由程较小，并像一个整体一样运动. 关键词： 颗粒物质 混沌 倍周期分岔 非弹性碰撞     

Charge transfer mechanism in N4+ + He and B3+ + He/H2 ion–atom/molecule collisions

Ab initio potential energy curves and coupling matrix elements of the molecular states involved in the collision of the N⁴⁺(2s)²S and B³⁺(1s²)¹S multicharged ions on the helium atom or molecular hydrogen have been determined by means of configuration interaction methods. The total and partial electron capture cross-sections have been evaluated in the frame of a semiclassic approach in the 1- to 100-keV laboratory energy range and compared to experimental data. A comparative study of both targets is performed in the case of the B³⁺ ion. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002     

Total cross sections for electrons scattering from simple molecules containing the larger atom sulfur at 30-5000eV

A complex optical model potential modified by the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds, is employed to calculate the total cross sections for electrons scattering from simple molecules （SO2, H2S, OCS, CS2 and SO3） containing the larger atom, sulfur, at 30-5000eV by using the additivity rule model at Hartree-Fock level. The quantitative molecular total cross section results are compared with those obtained in experiments and other calculations wherever available, and good agreement is obtained. It is shown that the additivity rule model together with the complex optical model potential modified by the concept of bonded atom can give the results closer to the experiments than the one unmodified by it. So, the introduction of bonded-atom concept in complex optical model potential betters the accuracy of the total cross section calculations of electrons from the molecules containing the larger atom, sulfur.