A reactive molecular dynamics model of thermal decomposition in polymers: I. Poly(methyl methacrylate)

The theory and implementation of reactive molecular dynamics (RMD) are presented. The capabilities of RMD and its potential use as a tool for investigating the mechanisms of thermal transformations in materials are demonstrated by presenting results from simulations of the thermal degradation of poly(methyl methacrylate) (PMMA). While it is known that depolymerization must be the major decomposition channel for PMMA, there are unanswered questions about the nature of the initiation reaction and the relative reactivities of the tertiary and primary radicals formed in the degradation process. The results of our RMD simulations, performed directly in the condensed phase, are consistent with available experimental information. They also provide new insights into the mechanism of the thermally induced conversion of this polymer into its constituent monomers.     

Synthesis and characterization of novel diimide–dinaphthols and resulting poly(urethane–imide)s

Novel diols containing imide groups were prepared via condensation of aromatic dianhydrides with 5‐amino‐1‐naphthol. The diimide–dinaphthols prepared were characterized by conventional methods and used to synthesize new poly(urethane–imide)s (PUIs). All the polymers were characterized and their physical properties, such as solubility, solution viscosity, thermal stability, and thermal behaviour were studied. The polymers obtained showed more thermal stability than typical polyurethanes because of the presence of the imide groups. Copyright © 2003 Society of Chemical Industry     

T-stress in orthotropic functionally graded materials: Lekhnitskii and Stroh formalisms

A new interaction integral formulation is developed for evaluating the elastic T-stress for mixed-mode crack problems with arbitrarily oriented straight or curved cracks in orthotropic nonhomogeneous materials. The development includes both the Lekhnitskii and Stroh formalisms. The former is physical and relatively simple, and the latter is mathematically elegant. The gradation of orthotropic material properties is integrated into the element stiffness matrix using a “generalized isoparametric formulation” and (special) graded elements. The specific types of material gradation considered include exponential and hyperbolic-tangent functions, but micromechanics models can also be considered within the scope of the present formulation. This paper investigates several fracture problems to validate the proposed method and also provides numerical solutions, which can be used as benchmark results (e.g. investigation of fracture specimens). The accuracy of results is verified by comparison with analytical solutions.     

等离子体浸没式离子注入-离子束增强沉积TiN膜研究

本文采用一种新型的等离子体浸没式离子注入 离子束增强沉积的技术(PIII IBAD),在Cr12MoV钢基体上制备出了TiN膜,对沉积膜的组织进行了光电子能谱分析,并对沉积膜进行了硬度检测、摩擦试验及磨痕形貌分析。试验结果表明,沉积膜中的组织为TiN、TiO2和Ti2O3,TiN膜具有高达Hv3200的高硬度和极其优良的摩擦性能。     

Three-temperature modeling of carrier-phonon interactions in thin GaAs film structures irradiated by picosecond pulse lasers

This article investigates numerically the carrier-phonon interactions in thin gallium arsenide (GaAs) film structures irradiated by subpicosecond laser pulses to figure out the role of several recombination processes on the energy transport during laser pulses and to examine the effects of laser fluences and pulses on non-equilibrium energy transfer characteristics in thin film structures. The self-consistent hydrodynamic equations derived from the Boltzmann transport equations are established for carriers and two different types of phonons, i.e., acoustic phonons and longitudinal optical (LO) phonons. From the results, it is found that the two-peak structure of carrier temperatures depends mainly on the pulse durations, laser fluences, and nonradiative recombination processes, two different phonons are in nonequilibrium state within such lagging times, and this lagging effect can be neglected for longer pulses. Finally, at the initial stage of laser irradiation, SRH recombination rates increases sufficiently because the abrupt increase in carrier number density no longer permits Auger recombination to be activated. For thin GaAs film structures, it is thus seen that Auger recombination is negligible even at high temperature during laser irradiation.     

Microstructural changes accompanying repair welding in 5xxx aluminium alloys and their effect on the mechanical properties

At the shipyards, the aluminium alloy 5083 is welded with a multi-pass sequence using the metal inert gas technique. If, while checking the weld integrity either after welding or during service, defects are detected in the vicinity of the weldment, repairs are usually employed to extend the service life.

The repair method involves removal of the upper passes, depending on the thickness and re-welding under the same conditions.

Purpose of this paper is to examine the microstructural changes accompanying repair welding, define their effect on properties of primary importance and set, if possible, an upper limit as far as the number of repairs is concerned.     

Effect of storage temperature on phenolics stability in hawthorn (Crataegus pinnatifida var. major) fruits and a hawthorn drink

The stability of five major phenolics, namely (−)-epicatechin (EC), procyanidin B₂ (PC-B₂), chlorogenic acid (ChA), hyperoside (HP) and isoquercitrin (IQ), in hawthorn fruits and a canned hawthorn drink were evaluated during 6 months of storage in the dark at three different temperatures (4, 23 and 40 °C). HPLC with a diode-array detector was used to determine the contents of the individual compounds. The results showed that the studied phenolics in the hawthorn fruits and the drink were both stable at 4 °C and relatively unstable at 23 and 40 °C with varied extents of degradation. At room temperature (23 °C), marked degradations of EC and PC-B₂ were observed in both the fruits and the drink with around 50% and 30% decrease after a 6-month storage, respectively. A more significant decrease of the phenolics was observed at 40 °C, especially for EC and PC-B₂, which were almost completely degraded after a 6-month storage. HP, IQ and ChA were relatively stable at 23 °C, but unstable at 40 °C. Therefore, low-temperature storage is recommended for maintaining the quality and efficacy of hawthorn fruits and its preparations.     

PTC预应力管桩在软土地基处理中的施工工艺

结合PTC预应力管桩在沪宁高速公路扩建工程中的应用，从路基底板的施工、PTC预应力管桩的施工方面对其施工工艺进行了介绍，总结了PTC预应力管桩在软土地基处理中的应用优点。     

A new curvature technique calculation for surface tension contribution in PLIC-VOF method

The volume of fluid (VOF) methods have been used for numerous numerical simulations. Among these techniques used to define the moving interface, the piecewise linear interface reconstruction (PLIC-VOF) is one of the most accurate. A study of the superficial tension impact on two-phase flow with free surface is presented. A new method based on direct staggered grid is developped to include surface tension in PLIC-VOF. The new numerical curvature calculation method doesn't need smoothed colour function and leads to less “spurious current”. This technique is applied to the calculus of surface tension force in the case of the rise of air bubble in viscous liquid and the fall of liquid drop in the same liquid on free surface. Droplets, thin layer and capillarity waves are observed after the free surface rupture for different Bond number. The influence of surface tension calculus is then obvioused and when the drop hit the free surface, wavelets propagate toward the virtual boundaries imposed.