冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响

用分子动力学模拟方法研究了五种不同冷却速率对Lennard-Jones体系凝固过程中结构与动力学性质的影响。采用两种不同的方法来确定玻璃转变温度Tg,并且对结晶温度Tc、径向分布函数g(r)、均方位移函数MSD与扩散系数D、平均配位数进行比较分析。结果表明：冷却速率影响Lennard-Jones体系凝固过程中的结构。当使用足够高的冷却速率冷却时,体系发生玻璃化转变,而且冷却速率越快,玻璃转变温度越高;当冷却速率较小时,体系形成晶体,而且冷却速率越慢,结晶温度越高,结晶程度也越高。同时发现,冷却速率对扩散系数和平均配位数也有很大影响,二者在体系发生玻璃转变时都有一个缓变的过程,表明了过冷液相区的存在。     

Fast Analytical Temperature Rising Elution Fractionation (ATREF) Method

Conventional analytical temperature rising elution fractionation (ATREF) is performed using slowly crystallized polymers in about 16 h. In this work, we developed a fast ATREF method in which the polymer sample is directly injected on the column at room temperature, thus reducing the analysis time to about 1 h. The method was tested using four metallocene polyethylenes with unimodal short chain branching distributions and different densities, previously analyzed by ATREF using a cooling rate of 0.1°C/min. The obtained results demonstrate that the fast ATREF method is very effective and accurate in evaluating short chain branching distribution for polyolefins having unimodal distributions.     

Vacuum-assisted headspace solid phase microextraction: Improved extraction of semivolatiles by non-equilibrium headspace sampling under reduced pressure conditions

A new headspace solid-phase microextraction (HSSPME) procedure carried out under vacuum conditions is proposed here where sample volumes commonly used in HSSPME (9 mL) were introduced into pre-evacuated commercially available large sampling chambers (1000 mL) prior to HSSPME sampling. The proposed procedure ensured reproducible conditions for HSSPME and excluded the possibility of analyte losses. A theoretical model was formulated demonstrating for the first time the pressure dependence of HSSPME sampling procedure under non equilibrium conditions. Although reduced pressure conditions during HSSPME sampling are not expected to increase the amount of analytes extracted at equilibrium, they greatly increase extraction rates compared to HSSPME under atmospheric pressure due to the enhancement of evaporation rates in the presence of an air-evacuated headspace. The effect is larger for semivolatiles whose evaporation rates are controlled by mass transfer resistance in the thin gas film adjacent to the sample/headspace interface. Parameters that affect HSSPME extraction were investigated under both vacuum and atmospheric conditions and the experimental data obtained were used to discuss and verify the theory. The use of an excessively large headspace volume was also considered. The applicability of Vac-HSSPME was assessed using chlorophenols as model compounds yielding linearities better than 0.9915 and detection limits in the low-ppt level. The repeatability was found to vary from 3.1 to 8.6%.     

Three-dimensional localization of atoms in the polychromatic optical superlattice

Quasiclassical kinetic theory of the light pressure force has been applied to describe the localization of atoms (or ions) with the transition F=1→F=0 in the three-dimensional (3D) dissipative optical superlattice of a new type. Its action is based on the effect of the gradient force rectification in the polychromatic field: superposition of the three color far-off-resonant field and partially coherent resonant field. An approximate explicit solution of the kinetic equation for 3D motion of atoms in such a (multicolor) field has been achieved. This solution demonstrates the capability of the polychromatic superlattice to provide efficient cooling and strong spatial localization of the particles and to form an atomic (or ionic) grating with highly controllable characteristics.     

Enhanced multi‐objective optimization of a dimpled channel through evolutionary algorithms and multiple surrogate methods

Using a multi‐objective evolutionary algorithm (MOEA) and enhanced surrogate approximations, the present study demonstrates the numerical analysis and optimization of staggered‐dimple channels. Two surrogates, the response surface approximation (RSA) model and the Kriging (KRG) model, are applied in light of the surrogate fidelity of the approximate analysis. An enhanced Pareto‐optimal front is obtained by performing local resampling of the Pareto‐optimal front, which provides relatively more accurate Pareto‐optimal solutions in the design space for each surrogate model. Three dimensionless design variables are selected, which are related to geometric parameters, namely, the channel height, dimple print diameter, dimple spacing, and dimple depth. Two objective functions are selected that are related to the heat transfer and pressure loss, respectively. The objective‐function values are numerically evaluated through Reynolds‐averaged Navier–Stokes analysis at the design points that are selected through the Latin hypercube sampling method. Using these numerical simulations two surrogates, viz, the RSA and Kriging models, are constructed for each objective function and a hybrid MOEA is applied to obtain the Pareto‐optimal front. For the particular implementation of surrogate models, it is observed that Pareto‐optimal predictions of the RSA model are better than those of the KRG model, whereas the KRG model predicts equally well at the off‐Pareto‐region (region away from the Pareto‐optimal solutions), which is not the case with the RSA model. The local resampling of the Pareto‐optimal front increases the fidelity of the approximate solutions near the Pareto‐optimal region. The ratios of the channel height to the dimple print diameter and of the dimple print diameter to the dimple pitch are found to be more sensitive along the Pareto‐optimal front than the ratio of the dimple depth to the print diameter. The decrease of the ratio of the channel height to the dimple diameter and the increase of the ratio of the dimple print diameter to the pitch lead to greater heat transfer at the expense of the pressure loss, whereas the ratio of the dimple depth to the print diameter is rather insensitive to Pareto‐optimal solutions. Pareto‐optimal solutions at higher values of the Nusselt number are associated with higher values of the pressure loss due to the increased recirculation, mixing of fluid and vorticity generation. Copyright © 2010 John Wiley & Sons, Ltd.     

不同进风型式下气体冷却服中空气流动与换热的研究

根据气体冷却服的特点,对不同进风型式下气体冷却服中空气流动与换热进行研究。建立了进气口加设挡板层、进气口带均流器型和直吹型3种型式气体冷却服(服装夹层)中冷却空气流动过程的数学模型。对气体的流动过程进行分析,结果表明:不同的进风型式对气体冷却服空气层的温度分布状况、平均气流流速、平均温度、对流散热量影响较大;其中进气口加设挡板层的服装空气夹层温度分布最均匀,进气直吹型的平均气流流速最大,对流散热效果最好。研究结果为气体冷却服进一步的布风优化设计提供了理论和应用依据。     

大功率4K脉管制冷机模拟和实验研究

提高液氦温区脉管制冷机的制冷量对于冷却超导磁体和氦液化具有重要意义。本文将已成功应用于单级脉管制冷机和4 K G-M制冷机模拟的回热器模拟软件REGEN用于液氦温区脉管制冷机二级回热器的模拟。计算结果显示,脉管制冷机在4.2 K的制冷量一定程度上随着二级质量流量的增加而增大。在此基础上,我们在实验中采用不同质量流量的压...     

Pricing caps with HJM models: The benefits of humped volatility

In this paper we compare different multifactor HJM models with humped volatility structures, to each other and to models with strictly decreasing volatility. All the models are estimated on Euribor and swap rates panel data maximizing the quasi-likelihood function obtained from the Kalman filter. We develop the analysis in two steps: first we study the in-sample properties of the estimated models, then we test the pricing performance on caps. We find the humped volatility specification to greatly improve the model estimation and to provide sufficiently accurate cap prices, although the models has been calibrated on interest rates data and not on cap prices. Moreover, we find the two-factor humped volatility model to outperform the three-factor models in pricing caps.     

Misclassification rates,critical values and size of the design in measurement systems capability studies

Measurement systems capability analysis aims to test if the variability of a measurement system is small relative to the variability of a monitored process. At present some open questions are related both to the interpretation of the critical values of the indices typically used by practitioners to assess the capability of a gauge and to the choice of the size of the experimental design to test the repeatability and the reproducibility of the measurement process. In this paper, starting from the misclassification rates of a measurement system, we present a solution to these issues. Copyright © 2009 John Wiley & Sons, Ltd.     

Parametric resonance and cooling on an atom chip

This paper observes the parametric excitation on atom chip by measuring the trap loss when applying a parametric modulation. By modulating the current in chip wires, it modulates not only the trap frequency but also the trap position. It shows that the strongest resonance occurs when the modulation frequency equals to the trap frequency. The resonance amplitude increases exponentially with modulation depth. Because the Z-trap is an anharmonic trap, there exists energy selective excitation which would cause parametric cooling. We confirm this effect by observing the temperature of atom cloud dropping.