Computational materials: Multi-scale modeling and simulation of nanostructured materials

The paper provides details on the current approach to multi-scale modeling and simulation of advanced materials for structural applications. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation are highlighted and discussed.     

WDB620高强钢应用于大型蜗壳的焊接制造工艺研究

2005年初,水电十四局承担了漫湾二期水电站和小湾水电站蜗壳的制造任务。蜗壳钢材选用国产600 MPa级别高强钢,为了全面综合地考核该级别钢种的材料强度和安全裕度,检验模拟大型蜗壳焊接制造工艺的可靠性。对国产的WDB620高强钢进行了可焊性和制造工艺性试验研究,并在国内首次设计、制造模拟压力容器并对其进行水压试验和爆破试验。研究成果通过中国水电集团公司鉴定,结论为该课题研究成果达到国内选进水平。     

Synthesis and characterization of acidic properties of Al-SBA-15 materials with varying Si/Al ratios

Al-SBA-15 of varying Si/Al ratios in the range 11.4–78.4 was synthesized using tri-block copolymer P123. The calcined materials were examined by XRD, pore size distribution, surface area, ²⁷Al NMR spectroscopy. The acidity and acid strength distribution were studied using microcalorimetric adsorption of NH₃. The acidic properties were also examined by cumene cracking reaction as a function of Si/Al ratios. Systematic variation of acidity and activity was observed as a function of Si/Al ratio. The initial heats of NH₃ adsorption correlated well with activity indicate that acid sites with ΔH > 100 kJ/mole is responsible for cumene cracking activity. Linear correlations were obtained with total acidity and cumene cracking activities. The tetrahedral aluminum was found to be responsible for the observed acidities and catalytic activities.     

Experimental Investigation of the Recovery of Soaked Paper Using Evaporative Freeze Drying

The aim of this article is to develop an experiment and a procedure to investigate the restoration of water-damaged paper and archival materials using freeze drying in order to allow a reproducible test and comparison of the influence of different operating conditions on drying time and restored paper quality. Firstly, a reproducible method for the preparation of soaked samples simulating water-damaged paper has been developed. Then, the samples have been freeze-dried in a laboratory-scale apparatus that allowed monitoring the temperature as well as the weight of the samples. The technique of evaporative freezing, which reduces the drying time required, has been used in this case. An innovative procedure for the visualization of the progress of the drying process has been validated, thus allowing the validation of a simple phenomenological model of the time evolution of the ice core volume; in addition, data on the residual moisture of the dried paper sheets in different zones have been given. Finally, optimization of this particular drying process by using simple or more sophisticated approaches has been discussed.     

Flammability characteristics at applied heat flux levels up to 200 kW/m2

This paper documents the first of the two interrelated studies that were conducted to more fundamentally understand the scalability of flame heat flux, the motivation being that it has been reported that flame heat flux back to the burning surface in bench‐scale experiments is not the same as for large‐scale fires. The key aspect was the use of real scale applied heat flux up to 200kW/m² which is well beyond that typically considered in contemporary testing. The main conclusions are that decomposition kinetics needs to be included in the study of ignition and the energy balance for steady burning is too simplistic to represent the physics occurring. An unexpected non‐linear trend is observed in the typical plotting methods currently used in fire protection engineering for ignition and mass loss flux data for several materials tested and this non‐linearity is a true material response. Using measured temperature profiles in the condensed phase shows that viewing ignition as an inert material process is inaccurate at predicting the surface temperature at higher heat fluxes. The steady burning temperature profiles appear to be invariant with applied heat flux. This possible inaccuracy was investigated by obtaining the heat of gasification via the ‘typical technique’ using the mass loss flux data and comparing it to the commonly considered ‘fundamental’ value obtained from differential scanning calorimetry measurements. This comparison suggests that the ‘typical technique’ energy balance is too simplified to represent the physics occurring for any range of applied heat flux. Observed bubbling and melting phenomena provide a possible direction of study. Copyright © 2007 John Wiley & Sons, Ltd.     

高水头弧形闸门伸缩式水封的黏弹性仿真计算方法

认为止水材料的蠕变和应力松弛是由于材料参数的变化而引起的，把描述橡胶类材料应变能密度函数中的物理参数假设成与时间有关的黏弹性函数。在此基础上改进材料应力张量与应变张量的关系式，得到了改进的Mooney-Rivlin公式，给出了一种考虑止水材料黏弹性性质的伸缩式水封仿真计算方法。分析得出，止水材料由于受周边结构的限制，材料黏弹性阶段除顶点垂直位移不变，关键结点的其它位移并没有因材料的蠕变而显著变化，材料的蠕变有提高封头顶点接触应力的趋势，不会降低水封的水密性。通过工程实例，给出了140m水头下、封头与面板间隙控制在30mm内的可行并较优的伸缩式水封的断面。     

Studies on the treatment of brilliant green solution by combination microwave induced oxidation with CoFe2O4

In this work the synergistic effects of microwave (MW) irradiation induced oxidation processes and CoFe₂O₄ were studied for the degradation of brilliant green (BG) from aqueous solutions. Under the optimum condition, the ratio of solid to liquid was 1:167 (0.3 g CoFe₂O₄ mixed with 50 mL of 20 mg L⁻¹ BG solution), MW power 600 W, and the time of the irradiation 2 min. And the decolorization rate could reach up to 100%. Further investigation showed that BG was degraded by MW-induced oxidation combined with CoFe₂O₄ surface adsorption. The CoFe₂O₄ could increase the efficiencies of MW degradation and be used repeatedly. The experimental results indicated that the method of MW degradation BG in the presence of CoFe₂O₄ could reduce reaction time and increase product yield.     

Durability of polymeric glazing materials for solar applications

The economic viability of solar collector systems for domestic hot water (DHW) generation is strongly linked to the cost of such systems. Installation and hardware costs must be reduced by 50% to allow significant market penetration. An attractive approach to cost reduction is to replace glass and metal parts with less expensive, lighter weight polymeric components. Weight reduction decreases the cost of shipping, handling, and installation. The use of polymeric materials also allows the benefits and cost savings associated with well established manufacturing processes, along with savings associated with improved fastening, reduced part count, and overall assembly refinements. A key challenge is to maintain adequate system performance and assure requisite durability for extended lifetimes. Results of preliminary and ongoing screening tests for a large number of candidate polymeric glazing materials are presented. Based on these results, two specific glazings with moderate and poor weathering stability are selected to demonstrate how a service lifetime methodology can be applied to accurately predict the optical performance of these materials during in-service use. A summary is given for data obtained by outdoor exposure and indoor testing of polyvinyl chloride (PVC) and high temperature modified polycarbonate copolymer (coPC) materials, and an initial risk analysis is given for the two materials. Screening tests and analyses for service lifetime prediction are discussed. A methodology that provides a way to derive correlations between degradation experienced by materials exposed to controlled accelerated laboratory exposure conditions and materials exposed to in-service conditions is given, and a validation is presented for the methodology based upon durability test results for PVC and coPC.     

一种高抗干扰的DSP输入输出信号传输电路的设计

介绍和比较了现有的DSP输入输出信号传输方法,设计了一种高抗干扰的DSP输入输出信号传输电路,论述了该电路工作原理,给出了电路主要参数的设计计算。通过实验验证了该传输电路的可行性。