纳米通道内气体剪切流动的分子动力学模拟

采用分子动力学模拟方法研究了表面力场对纳米通道内气体剪切流动的影响规律.结果显示通道内的气体流动分为两个区域:受壁面力场影响的近壁区域和不受壁面力场影响的主流区域.近壁区域内,气体流动特性和气体动力学理论预测差别很大,密度和速度急剧增大并出现峰值,正应力变化剧烈且各向异性,剪切应力在距壁面一个分子直径处出现突变.主流区域的气体流动特性与气体动力学理论预测相符合,该区域内的密度、正应力与剪切应力均为恒定值,速度分布亦符合应力-应变的线性响应关系.不同通道高度及密度下,近壁区域的归一化密度、速度及应力分布一致,表明近壁区域的气体流动特性仅由壁面力场所决定.随着壁面对气体分子势能作用的增强,气体分子在近壁区域的密度和速度随之增大,直至形成吸附层,导致速度滑移消失.通过剪切应力与切向动量适应系数(TMAC)的关系,得到不同壁面势能作用下的TMAC值,结果表明壁面对气体分子的势能作用越强,气体分子越容易在壁面发生漫反射.     

电子温度对霍尔推进器等离子体鞘层特性的影响

采用二维粒子模拟方法研究了霍尔推进器通道中电子温度对等离子体鞘层特性的影响, 讨论了不同电子温度下电子数密度、鞘层电势、电场及二次电子发射系数的变化规律. 结果表明: 当电子温度较低时, 鞘层中电子数密度沿径向方向呈指数下降, 在近壁处达到最小值, 鞘层电势降和电场径向分量变化均较大, 壁面电势维持一稳定值不变, 鞘层稳定性好; 当电子温度较高时, 鞘层区内与鞘层边界处电子数密度基本相等, 而在近壁面窄区域内迅速增加, 壁面处达到最大值, 鞘层电势变化缓慢, 电势降和电场径向分量变化均较小, 壁面电势近似维持等幅振荡, 鞘层稳定性降低; 电子温度对电场轴向分量影响较小; 随电子温度的增大, 壁面二次电子发射系数先增大后减少. 关键词： 霍尔推进器 等离子体鞘层 电子温度 粒子模拟     

分子动力学模拟纳米通道内混合气体流动的温度效应

温度对纳米通道内流体的流动有显著的作用。运用分子动力学方法,模拟了不同温度下气体混合物在纳米通道内的Poiseuille流动。结果表明:气体混合物化学成分和物理结构都是非均匀的,固壁附近亲水粒子密度随着温度的升高而降低,疏水粒子随着温度的升高逐渐能够到达固壁附近。纳米通道内混合气体在温度较低时有明显的分层现象,而随着温度的升高,密度分布趋于一致。同时在固体壁面从温度较低时的无表观滑移到表观滑移速度随着温度的升高而逐渐增大,而在通道中心混合气体的流动速度随着温度的升高而降低。     

纳米通道壁面晶面结构对吸附影响的分子动力学模拟

本文采用分子动力学方法,模拟了流体在晶面结构为FCC100、FCC110、FCC111壁面上的吸附现象,结果表明壁面结构对粒子的吸附有较大的影响.在相同的条件下,三种晶面结构的吸附区产生的吸附作用力不相同,FCC110结构壁面的吸附粒子更贴近壁面,FCC111结构壁面吸附的粒子最多.在纳米尺度下定义壁面相对光滑度来表征...     

霍尔推进器壁面材料二次电子发射及鞘层特性

霍尔推进器放电通道等离子体与壁面相互作用形成鞘层,不同壁面材料的二次电子发射对推进器鞘层特性具有重要影响,本文针对推进器壁面鞘层区域建立二维物理模型,研究了氮化硼(BN)、碳化硅(SiC)和三氧化二铝(Al_2O_3)三种不同壁面材料的二次电子发射特性,在改进SiC材料二次电子发射模型的基础上,采用粒子模拟方法,讨论了壁面二次电子发射系数与电子温度和磁场强度的关系,研究了三种材料(BN,SiC和Al_2O_3)的鞘层特性,结果表明:修正的二次电子发射模型拟合曲线与实验曲线几乎一致;在相同电子温度下,三种材料(BN,SiC和Al_2O_3)的二次电子发射系数和壁面电子数密度依次增大,而鞘层电场和鞘层电势降依次减小,BN材料具有合适的二次电子发生射系数,使得霍尔推进器能在低电流下稳态工作。     

纳米硅通道内滑移现象的分子动力学模拟

采用分子动力学方法研究了水在硅通道中的流动现象。通过模拟Couette剪切流动,得到了通道中流体的速度分布,同时考察了壁面吸附气体以及壁面具有纳米结构情况下的流动。模拟表明气体层以及微结构的存在可以改变硅表面的滑移性质,进而可以通过在壁面构造纳米结构以及在通道中充入气体来改变和控制纳米通道中的流体输运。     

壁面效应对纳米尺度气体流动的影响规律研究

采用分子动力学方法研究了过渡区纳米通道内的壁面力场对气体剪切流动的影响规律.在纳米尺度下,壁面力场对流场的主导作用更加显著,流动物理量对于壁面条件和系统温度的变化也更加敏感.壁面原子的运动采用Einstein模型模拟,结果表明随着壁面刚度的增加,气体在近壁面区域的速度峰值减小,气体分子与壁面的动量适应性变差.壁面粗糙度通过金字塔形模型来研究,发现无论是主流区域还是近壁区域,壁面粗糙度对流动的影响都非常明显.当粗糙单元高度增大时,气体分子在壁面处的聚集现象明显,与壁面完全动量适应.本文还研究了系统温度对纳米通道流动的影响,结果表明温度的影响是全局性的,温度的升高导致整个通道内流速降低,近壁区域气体密度减小,气-固动量适应性变差.     

霍尔推进器中振荡鞘层对电子与壁面碰撞频率的影响研究

利用二维粒子模拟方法研究振荡鞘层对近壁电导的影响.研究结果表明,当二次电子发射系数大于1时,鞘层处于振荡状态.在振荡鞘层状态下,电子与壁面的碰撞通量沿平行与壁面方向剧烈的周期性振荡,振荡的波长为电子静电波波长量级,电子与壁面的碰撞频率高出经典鞘层状态下电子与壁面碰撞频率1—2个数量级,此时的碰撞频率对通道中电流的贡献不可忽略.振荡鞘层相对与经典鞘层增大了电子与壁面的碰撞频率,但是振荡鞘层的存在,仍然会使一部分慢电子无法穿越鞘层的势垒而打到壁面. 关键词： 霍尔推进器 振荡鞘层 二次电子     

耗散粒子动力学处理复杂固体壁面的一种有效方法

耗散粒子动力学(dissipative particle dynamics,DPD)作为一种介观尺度拉格朗日型粒子方法,已经成功地应用于微纳米流动和生化科技的研究中.复杂固体壁面的处理和壁面边界条件的实施一直是DPD方法发展及应用的一个障碍.提出了处理复杂固体壁面的一种新的方法.复杂固体区域通过冻结随机分布并且达到平衡状态的DPD粒子代表;所冻结的DPD粒子位于临近流动区域的一个截距内;在靠近固体壁面的流动区域中设置流动反弹层,当流动DPD粒子进入此流动层后反弹回流动区域.应用这种固体壁面处理方法对简单流动区域的Poiseuille流动和复杂多孔介质内的流动进行了分析.研究表明,这种新的固体壁面处理方法能够有效模拟复杂固体区域,准确实施壁面边界条件.     

电子温度各向异性对霍尔推力器中等离子体与壁面相互作用的影响

为进一步揭示霍尔推力器放电通道饱和电子温度高达50—60 eV的原因,利用二维粒子模拟方法研究了霍尔推力器中电子温度各向异性对等离子体与壁面相互作用的影响,统计了等离子体与壁面相互作用的重要物理量,如电子与壁面的碰撞频率、通道电子在壁面的能量沉积及二次电子对通道电子的冷却.结果表明,当电子温度较低时,电子温度各向异性对等离子体与壁面相互作用的影响较小;当电子温度大于24 eV时,等离子体与壁面相互作用明显增强,并且电子温度各向异性会显著地降低电子与壁面的碰撞频率,减小电子在壁面的能量沉积,减弱鞘层对通道电子的冷却效应.电子温度的各向异性通过减弱通道电子与壁面的相互作用,有利于提高霍尔推力器放电通道的饱和电子温度.     

Effect of gas adsorption on momentum accommodation coefficients in microgas flows using molecular dynamic simulations

The tangential momentum accommodation coefficient (TMAC), usually used in slip boundary conditions in micro-gas flows, is reported to be always less than unity and greatly influenced by temperature and the strength of gas–wall interactions. According to the definitions of accommodation coefficients, a proper statistical algorithm in non-equilibrium molecular dynamics method was described and verified. In planar Poiseuille gas flow in a smooth microchannel, the TMAC were calculated considering both the effects of temperature and gas–wall interaction. In the simulation processes, more gas molecules began to be adsorbed near walls under the condition of stronger gas–wall interaction and lower temperature. The gas adsorption resulted in a longer gas–wall interaction time so that the TMAC increased. While the gas–wall interaction became much stronger, more and more gas molecules were adsorbed to form an explicit layer above the wall. The full coverage of gas molecules on the wall prevented further adsorption; therefore the TMAC did not keep on increasing as the interaction strength continued to increase. Meanwhile, the normal momentum accommodation coefficient (NMAC) was also calculated according to the definition. In the isothermal flow, the average gas momentum normal to the wall was in complete accommodation with the wall, and the NMAC was almost unity in smooth micro channels.     

气体-表面相互作用的分子动力学模拟研究

采用分子动力学模拟方法研究了气体分子Ar在光滑和粗糙Pt表面上的散射规律.提出了一种速度抽样方法,计算了不同温度条件下气体分子对光滑和粗糙表面的切向动量适应系数和吸附概率.结果显示：光滑表面条件下,气体分子的切向动量系数和吸附概率都随着温度的升高而降低;粗糙度对气体分子切向动量与表面的适应具有极大的促进作用,当粗糙度足够大时,切向动量适应系数的大小趋近于1.0,对温度的敏感性也逐渐降低.采用粒子束方法对气体分子在光滑和粗糙表面上的散射规律进行了定量分析.总结了散射过程中气体分子的典型轨迹和动量变化规律,将气体分子在光滑表面的散射分为两种类型：单次碰撞后散射和多次碰撞后散射.单次碰撞后散射的气体分子平均切向动量有所减小,而经过多次碰撞后散射的气体分子则倾向于保持原有的平均切向动量.对于粗糙表面,粗糙度的存在使气体分子与表面间的动量和能量适应更加充分,导致气体分子在较粗糙表面上散射后的平均切向动量大幅减小并接近于0,且气体分子在表面上经历的碰撞次数越多,其散射后的能量损失越严重.     

Schwingungsrelaxation und Gasaufheizung bei periodischem Betrieb der Impulslaser-Gasentladung in Stickstoff

For a typical pulse laser gas discharge in nitrogen without gas streaming, the time variation of the vibration temperature between two pulses is calculated based on a generalized Treanor distribution of the vibration term population. As processes destroying vibration energy, the wall desactivation, VV- and VT-processes are considered. As results, values of the vibration temperature at the beginning of the pulse discharge and data for the gas temperature difference between tube wall and axis are presented in dependence on the repetition frequency. Finally is discussed, in which scale the elevated vibration temperature and the gas temperature may influence the power of the nitrogen pulse laser.     

温度对微通道CH4/O2/H2O自热重整暂态特性的影响

利用计算流体力学软件CFD和化学反应动力学软件CHEMKIN研究了微通道内催化壁面温度、反应混合气体初始温度对镍基催化剂上CH₄/O₂/H₂O自热重整反应暂态特性的影响。结果表明,微通道内的甲烷自热重整反应暂态特性与温度关系密切。温度越高,反应趋于平衡所需的时间越短;当反应器壁面温度较高时,提高反应混合气入口温度对反应影响不大;在相同的温升下,提高反应器壁面温度比提高反应混合气体初始温度对反应过程中氢气的产生和甲烷的转化更有利。     

Numerical simulation of tissue freezing by liquid nitrogen based cryoprobe

A model is presented to simulate the cooling processes during tumor cryosurgery with different kinds of flows through the cryoprobe. The heat flux between the cryoprobe wall and the tumor, the heat transfer coefficient under different inflow conditions are obtained numerically. The impact of the inlet mass flow rate, gas volume fraction on these parameters is investigated. It is found that the heat transfer coefficient decreased significantly when inflow changed from two-phase annular flow to droplet flow, and to gas flow. The inlet gas volume fraction and flow velocity only significantly affect the freezing ability of the probe when the inflow is gas or in droplet phase. Simulation of the tumor temperature profiles under different flow conditions show that the heat transfer coefficient is a crucial parameter in temperature prediction during cryosurgery. Results indicate that when the cryoprobe wall is assumed at a constant temperature conventionally, the cooling effect could be overestimated. It would be more reasonable to use the constant wall heat transfer coefficient to simulate the cooling progress under a specific flow.     

高温壁面润湿性对气层稳定性及其壁面滑移性能的分子动力学研究

针对流体在纳米通道的小尺度效应,采用分子动力学方法模拟了传热效应以及流体流动行为,研究在壁面温度影响下,不同润湿性壁面上方气层生成状态以及流体流动时气层的稳定特性和相应的减阻性能.结果表明:当壁面为纯疏水壁面时,不能形成气层;疏水基底+亲水组合壁面形成不规则气层;纯亲水壁面和亲水基底+疏水组合壁面能形成规则气层.当流体流动时,疏水基底+亲水组合壁面气层消失,而纯亲水壁面和亲水基底+疏水组合壁面气层较为稳定.纯疏水壁面主流区域速度较大,而纯亲水壁面主流区域最低.对于壁面滑移速度,存在气层的壁面滑移速度与纯疏水表面相对接近,甚至稍优于纯属疏水表面,而疏水基底+亲水组合壁面滑移速度最小.     

Near-critical fluid boiling: Overheating and wetting films

The heating of coexisting gas and liquid phases of pure fluid through its critical point makes the fluid extremely compressible, expandable, slows the diffusive transport, and decreases the contact angle to zero (perfect wetting by the liquid phase). We have performed experiments on near-critical fluids in a variable volume cell in the weightlessness of an orbiting space vehicle, to suppress buoyancy-driven flows and gravitational constraints on the liquid-gas interface. The high compressibility, high thermal expansion, and low thermal diffusivity lead to a pronounced adiabatic heating called the piston effect. We have directly visualized the near-critical fluid’s boundary layer response to a volume quench when the external temperature is held constant. We have found that when the system’s temperature T is increased at a constant rate past the critical temperature T _c , the interior of the fluid gains a higher temperature than the hot wall (overheating). This extends previous results in temperature quenching experiments in a similarly prepared system when the gas is clearly isolated from the wall. Large elliptical wetting film distortions are also seen during these ramps. By ray tracing through the elliptically shaped wetting film, we find very thick wetting film on the walls. This wetting film is at least one order of magnitude thicker than films that form in the Earth’s gravity. The thick wetting film isolates the gas bubble from the wall allowing gas overheating to occur due to the difference in the piston effect response between gas and liquid. Remarkably, this overheating continues and actually increases when the fluid is ramped into the single-phase supercritical phase.     

Insulated wall potential stabilization modes in gas discharges

Arguments for demonstrating the contribution of the ion current in the process of wall potential stabilization at a positive value and the results of some experiments supporting this viewpoint, are presented. It is also shown that the variation in gas pressure leads to a change in the number of possible stabilization modes. It is argued that the values of the stable wall potentials are determined by the secondary emission properties of the wall surface, the tube configuration and the values of the charged particle fluxes to the wall. The wall-cathode and wall-anode capacitances may influence only the direction in which the wall potential will drift during the stabilization process, in the case when two stable values of the wall potential exist.     

Effects of dimensional wall temperature on velocity-temperature correlations in supersonic turbulent channel flow of thermally perfect gas

Direct numerical simulations of temporally evolving supersonic turbulent channel flows of thermally perfect gas are conducted at Mach number 3.0 and Reynolds number 4800 for various values of the dimensional wall temperature to study the influence of the latter on the velocity-temperature correlations. The results show that in a fully developed turbulent channel flow, as the dimensional wall temperature increases, there is little change in the mean velocity, but the mean temperature decreases. The mean temperature is found to be a quadratic function of the mean velocity, the curvature of which increases with increasing dimensional wall temperature. The concept of "recovery enthalpy" provides a connection between the mean velocity and the mean temperature, and is independent of dimensional wall temperature. The right tails of probability density function of the streamwise velocity fluctuation grows with increasing dimensional wall temperature. The dimensional wall temperature does not have a significant influence on the Reynolds analogy factor or strong Reynolds analogy(SRA). The modifications of SRA by Huang et al. and Zhang et al. provide reasonably good results, which are better than those of the modifications by Cebeci and Smith and by Rubesin.