Computer Simulation Of Random Sphere Packing In An Arbitrarily Shaped Container

Most simulations of random sphere packing concern a cubic or cylindric container with periodic boundary, containers of other shapes are rarely studied. In this paper, a new relaxation algorithm with pre-expanding procedure for random sphere packing in an arbitrarily shaped container is presented. Boundaries of the container are simulated by overlapping spheres which covers the boundary surface of the container. We find 0.4 similar to 0.6 of the overlap rate is a proper value for boundary spheres. The algorithm begins with a random distribution of small internal spheres. Then the expansion and relaxation procedures are performed alternately to increase the packing density. The pre-expanding procedure stops when the packing density of internal spheres reaches a preset value. Following the pre-expanding procedure, the relaxation and shrinking iterations are carried out alternately to reduce the overlaps of internal spheres. The pre-expanding procedure avoids the overflow problem and gives a uniform distribution of initial spheres. Efficiency of the algorithm is increased with the cubic cell background system and double link data structure. Examples show the packing results agree well with both computational and experimental results. Packing density about 0.63 is obtained by the algorithm for random sphere packing in containers of various shapes.

Effects of oxygen partial pressure on packing density and laser damage threshold of TiO2 thin films

TiO2 films are deposited by electron beam evaporation as a function of oxygen partial pressure. The packing density, refractive index, and extinction coefficient all decrease with the increase of pressure, which also induces the change of the film's microstructure, such as the increase of voids and H2O concentration in the film. The laser-induced damage threshold (LIDT) of the film increases monotonically with the rise of pressure in this experiment. The porous structure and low nonstoichiometric defects absorption contribute to the film's high LIDT. The films prepared at the lowest and the highest pressure show nonstoichiometric and surface-defects-induced damage features, respectively.(C) 2007 American Institute of Physics.

Packing LUT clusters with network flow programming

This paper describes a two-step packing algorithm for LUT clusters of which the LUT input multipliers are depopulated. In the first step, a greedy algorithm is used to search for BLE locations and cluster inputs. If the greedy algorithm fails, the second step with network flow programming algorithm is employed. Numerical results illustrate that our two-step packing algorithm obtains better packing density than one-step greedy packing algorithm.

Crystal packing motifs of oligothiophenes end-capped with N-containing aryls

Oligothiophenes (OThs) end-capped with 3-quinolyl or pyridyl with nitrogen atom at meta-, ortho- or para-position were synthesized. The single-crystal structures of the resulting molecules, i.e., o-PyTh4, m-PyTh4, p-PyTh4, QuTh2, and QuTh3, were successfully determined by single-crystal X-ray analysis. Pyridyl end-capped OThs; o-PyTh4, m-PyTh4, and p-PyTh4, adopt the different herringbone packing arrangement in crystals depending on the position of the nitrogen atom because of the presence of weak C-H center dot center dot center dot N hydrogen bonds. The p-PyTh4 molecules are linked each other along the long axis of the molecules to form the extended chains by C-H center dot center dot center dot N dimer synthon. For m-PyTh4, the C-H center dot center dot center dot N interactions two-dimensionally extend through C-H center dot center dot center dot N trimer synthon.

Extended-chain lamellar packing of poly(3-butylthiophene) in single crystals

We developed an approach, i.e. solvent-assist crystallization (SAC), for growing high quality single crystals of head-to-tail regio-regular poly(3-butylthiophene) (P3BT). By means of atomic force microscopy, electron diffraction and X-ray diffraction, we found that P3BT macromolecules formed lamella single crystals through gradient crystallization, and in the single crystals, molecules packed normal to the lamella with extended-chain conformation with alkyl side chains in the growth front during crystallization.

Tight intermolecular packing through supramolecular interactions in crystals of cyano substituted oligo(para-phenylene vinylene): a key factor for aggregation-induced emission

Strong supramolecular interactions, which induced tight packing and rigid molecules in crystals of cyano substituent oligo(para-phenylene vinylene) (CN-DPDSB), are the key factor for the high luminescence efficiency of its crystals; opposite to its isolated molecules in solution which have very low luminescence efficiency.

Study on the self-packing of SnO2 nanoparticles at the air-hydrosol interface and its composite LB films with arachidic acid

SnO2 nanoparticles were found to self-pack at the air-hydrosol interface and form a nanoparticulate film. The self-packed films were observed under a Brewster angle microscope, and investigated by recording the time evolution of surface pressure and pi-A isotherms. The results show that SnO2 nanoparticles take 3 h to form a complete film at the air-hydrosol interface. Composite monolayers of SnO2 and arachidic acid were obtained by spreading arachidic acid onto a fresh hydrosol surface. Composite Y-type LB films were transferred from the air-hydrosol interface onto substrates, and characterized by FTIR, UV-vis, X-ray diffraction spectroscopy and TEM techniques. The results show that the composite films have good structure, with SnO2 nanoparticles uniformly and compactly distributed in the arachidate matrix. (C) 1998 Elsevier Science S.A. All rights reserved.

Crystal packing of poly(ether ketone ketone)

The crystal structure of poly(ether ketone ketone) (PEKK) is predicted by using Cerius2 software according to the wide angle X-ray diffraction (WAXD) experiment result. The predicted structure has a planar zigzag chain conformation between ether oxygen and ketone carbons in an orthorhombic lattice. Average zigzag angle is 126 degrees and average torsion angle is 30.32 degrees. The WAXD powder pattern calculated from the crystal packing model is in good agreement with the experiment result.

A novel silica-based column packing for reversed-phase HPLC of basic compounds

A novel bonded phase for reversed-phase HPLC was synthesized in two steps. Octylamine was first reacted with beta-(3,4-epoxycyclohexyl)ethyltrimethoxysilane (beta -ECTS) and then the intermediate product was coupled onto porous silica. The prepared packing was characterized by elemental analysis, solid-state C-13 NMR and Fourier transform infrared (FT-IR). Chromatographic evaluations were carried out by using a mixture of organic compounds including acidic, basic and neutral analytes and methanol-water as binary mobile phase. The results showed that the stationary phase has excellent chromatographic properties and is resistant to hydrolysis between pH = 2 similar to 8. It can be used efficiently for the separation of basic compounds.

Adlayer Structures of DL-Homocysteine and L-Homocysteine Thiolactone on Au(111) Surface: an in situ STM Study

The adsorption Of DL-homocysteine (Hcy) and L-homocysteine thiolactone (HTL) on Au(1 1 1) electrode was investigated in 0.1 M HClO4 by cyclic voltammetry and in situ scanning tunneling microscopy (STM). Hcy and HTL molecules formed highly ordered adlayers on Au(1 1 1) surface. High-resolution STM images revealed the orientation and packing arrangement in the ordered adlayers. Hcy molecules formed (2root3 x 3root3)R30degrees adlayer structure and H-bonds between carboxyl groups were assumed to be responsible for the origin of tail-to-tail or head-to-head molecular arrangement, while HTL molecules formed (4 x 6) adlayer structure, and two different orientations and appearances in the ordered adlayer were found. Structural models were proposed for the two adlayers.

光纤布拉格光栅传感系统在海洋平台监测中的应用研究

首先阐述了光纤布拉格光栅(FBG)传感系统的传感原理和基本组成。然后介绍了我们研制的FBG温度和应变传感器的特性以及关于它们应用于平台监测中的可靠性问题的研究结果，包括疲劳损伤、防水密封和机械防护。最后讨论了FBG传感系统在海洋工程中的其它潜在用途。Sensing mechanism of Fiber Bragg gratings (FBGs) and its sensing system are presented. Then, the performance of the FBG strain and temperature sensors we designed is described. Some results related to the reliability of the FBG sensor in the application to monitoring offshore platforms is also given, which involves fatigue damage, waterproof packing and mechanical protection. Finally, other potential applications of FBGs in offshore engineering are discussed.

内外圆柱壳与衬垫间的相对滑动

建立了偏心内壳的内外圆柱壳结构运动方程，分析了内外壳与衬垫材料间的相对滑动机理，讨论了滑动的成因以及抱紧力、质量偏心，衬垫材料的弹性刚度和扭转刚度以及外部激励对相对滑动的影响，同时通过一个例子的数值结果验证了理论的正确性，最后给出了控制（或避免）相对滑动发生的建议。

直径任意分布球填充的数值模拟

提出球填充数值算法的新分类方法.改进原有的松弛算法,使其能够模拟直径任意分布的球填充问题,采用可变循环周期使不同球数情形下的填充率基本保持不变.算例数据表明,该算法的填充率和配位数均高于原算法.由于采用背景网格搜索和双向链表组数据结构,使得邻接球搜索效率有相当大的提高,算法的时间复杂度为O（N）（N为球数）.在一台AMD Athlon 3200＋PC上,对于10000个等径球的随机密排列,只需217s,填充率即可达到0.64.