拼接聚焦终端在快点火装置上的应用

为满足快点火对点火脉冲功率的要求,主要在建和规划中的快点火驱动器均提出类似天文望远镜的拼接技术,实现大口径多路激光的相干聚焦。采用几何光学追迹和傅里叶方法求解拼接聚焦模型,针对抛物面镜的拼接规模和控制精度对焦斑峰值功率的影响进行了理论和数值模拟研究。模拟了2×2,3×3和4×4拼接离轴抛物面镜在一定控制精度下远场焦斑的斯特列尔比,并由正态分布的蒙特-卡罗方法分析了精度误差对斯特列尔比的影响。结果表明,面外旋转角和轴向活塞位移误差分别为1μrad和210.6 nm时2×2结构的焦斑斯特列尔比大于0.8的概率超过60%。     

Electronic Excitation Energy Migration in Partly Ordered Polymeric Films

Multistep intermolecular energy migration between elongated fluorophores (carbocyanines) in uniaxially oriented polymer films is studied based on fluorescence depolarization and Monte-Carlo simulations. Contrary to disordered systems it is found experimentally that the concentration depolarization of fluorescence in uniaxially oriented films is extremely weak despite effective energy migration. Based on the concentration depolarization experiment in the ordered matrix it is possible to estimate the angle between absorption and fluorescence transition moments of carbocyanines. The values of that angle are very close to those obtained from other methods.     

Principle of corresponding states for hard polyhedron fluids

ABSTRACT

We introduce an equation of state for hard polyhedra and validate our new theory with simulations performed for 22 different shapes spanning a range of particle anisotropy. The derived expression not only shows excellent agreement with simulations but also exhibits ‘corresponding states’-like behaviour across shape space, allowing for a systematic reduction of thermodynamic properties onto a single master curve. Additionally, we propose a scaling-type argument for predicting the order–disorder transition packing fraction for hard polyhedron fluids that accurately captures the observed transitions in simulations. Our works suggest that hard-polyhedron systems can be thought of as perturbations about a hard-sphere where corrections in the principle axes of inertia and excess volume account for differences in relative orientation between neighbouring particles and each polyhedron's intrinsic asphericity, respectively. Additionally, our theory greatly benefits from requiring only knowledge of the inherent geometry for a polyhedron of interest with no necessary fitting parameters and thus provides a good heuristic rule of thumb for targeting relevant regions of simulation interest for novel systems of hard polyhedra.     

基于调制光晶格的中性分子束光学Stark减速与囚禁的理论研究

本文基于分子束光学Stark减速理论,提出采用调制的红失谐光晶格来减速和囚禁任意脉冲超声分子束方案,并予以理论研究.以CH₄超声分子束为例,利用Monte-Carlo方法模拟了调制光晶格中的分子减速与囚禁的动力学过程,给出减速级数、同步分子初始位相角与减速效果的关系.研究结果表明：随着减速级数的增加,被减速的分子波包逐渐从原来的分子速度分布的大波包中分离开来,且减速级数越高,减速后的分子速度越小.在其他条件相同时同步分子初始位相角越大,减速波包内的分子数目越少,同时位相空间被压缩.与未调制的光晶格减速方案相比,本方案中无分子自由飞行过程,在相同的光晶格长度内完成了双倍的减速级数.当光晶格长度取3.71 mm时,模拟结果显示CH₄分子从280 m/s减速至172 m/s,而未调制光晶格只能将CH₄分子从280 m/s减速至232 m/s,减速效果提高了26%.本方案可以集分子的减速、囚禁于一体,是一种新型的分子光学功能器件,在冷分子光学、量子信息、冷化学等前沿研究领域中有潜在的应用.     

Configurational phase transition in AuxCu1−x nano-alloy: first principle and Monte-Carlo calculations

We report on the calculation of phase transition in the configurational state (i.e. atomic arrangement) of Au_xCu_1?x nanoparticle (or nano-alloy). The cluster expansion, represented by the formation energies of several atomic configurations, has been determined from full potential, linearized augmented-plane-wave first-principle calculation. The cluster expansion was then used as a Hamiltonian for the Monte-Carlo calculation of the phase transition between the configurational ground states (gs). Clear observation of plateau structures, associated with the calculated ‘gs’, in the plane of the composition (x) versus the chemical potential, have been observed at low temperatures <100?K. The plateaus smeared out at higher temperatures, giving rise to the order–disorder transition as the temperature rises. The critical temperature for this transition was estimated at 100?K, agreeing with the reported trend of the transition temperature with the nano-alloy size. Our results are thus relevant to applications concerning deposition of dispersed (i.e. well separated) nano-alloys.     

基于MC-UVE、GA算法及因子分析对葡萄酒酒精度近红外定量模型的优化研究

对葡萄酒酒精度偏最小二乘（Partial least squares,PLS）回归模型进行优化研究。使用近红外光谱仪采集葡萄酒样本的光谱数据,用于建立酒精度定量模型,实现在线快速检测。通过蒙特卡罗无信息变量消除（Monte Carlo uninformative variable elimination,MC-UVE）和遗传算法（Genetic algorithm,GA）进行变量选择,基于被选择的变量分别进行PLS和因子分析（Factor analysis,FA）,建立回归模型。结果表明,MC-UVE-GA-FAR模型预测集相关系数（R²）为0.946,预测均方根误差（Root mean square error of prediction,RMSEP）为0.215,效果优于MC-UVE-GA-PLS模型。与基于全范围光谱所建PLS回归模型相比,模型效果有所提升,而且模型所选变量个数仅为6,极大地简化了模型。MC-UVE和GA算法与FA分析结合可以实现模型的优化。     

Trajectory reweighting for non-equilibrium steady states

Modern methods for sampling rugged landscapes in state space mainly rely on knowledge of the relative probabilities of microstates, which is given by the Boltzmann factor for equilibrium systems. In principle, trajectory reweighting provides an elegant way to extend these algorithms to non-equilibrium systems, by numerically calculating the relative weights that can be directly substituted for the Boltzmann factor. We show that trajectory reweighting has many commonalities with Rosenbluth sampling for chain macromolecules, including practical problems which stem from the fact that both are iterated importance sampling schemes: for long trajectories the distribution of trajectory weights becomes very broad and trajectories carrying high weights are infrequently sampled, yet long trajectories are unavoidable in rugged landscapes. For probing the probability landscapes of genetic switches and similar systems, these issues preclude the straightforward use of trajectory reweighting. The analogy to Rosenbluth sampling suggests though that path-ensemble methods such as PERM (pruned-enriched Rosenbluth method) could provide a way forward.     

A new model for the structure of chalcogenide glasses: The closed cluster model

A new model is proposed for the structure of low atomic coordination chalcogenide glasses. The closed clusters model is based on the various types of clusters, packed by van der Waals forces in a molecular-type packing. Arguments are given to support the new model, taken as example the typical chalcogenide glass As₂S₃.     

柱形罐爆炸碎片抛射的Monte-Carlo分析

在动力学分析的基础上,将二维体系内的碎片轨迹方程扩展到三维体系内,将风这一影响因素考 虑在内。以墨西哥事故中水平圆柱储罐发生沸腾液体扩展为蒸气云爆炸(BLEVE)为例,利用Monte-Carlo法 模拟出碎片的轨迹曲线,计算得到有风和无风情况下碎片抛射距离的概率分布,得到一般情况下风对碎片危 害的影响较小。计算了无风情况下碎片碰撞目标容器的概率,得到碰撞概率随罐间距的增大而呈现严格的指 数衰减趋势,通过此关系式可以计算出符合安全要求的罐间距。研究结果对于提高储罐的安全性、缓解和控 制碎片产生的风险具有一定的指导意义。     

弹性力学平面问题可靠度分析的蒙特卡罗边界元法

以样条虚边界元法作为样本试验方法,采用蒙特卡罗法进行弹性力学平面问题可靠度分析.为了提高计算效率,引入Taylor展开和Neumann展开技术,避免在大量样本计算中直接生成影响矩阵及对其进行求逆运算,降低了单次样本计算时间;同时引入重要抽样技术,在相同精度情况下减少了蒙特卡罗法的抽取样本数.算例结果表明,该文提出的Taylor-Neumann展开重要抽样蒙特卡罗样条虚边界元法具有良好的计算精度和相当高的计算效率.