Second order wave loads on large monolithic offshore structures

This paper considers the wave loads on large monolithic offshore structures. The second order wave force formulae developed by Rahman and Heaps, applicable to large circular cylinders in waves, are extended to evaluate the overturning moments on large circular cylinders. The theory is then applied to square section caissons in waves, to predict the wave loads on these structures. These calculations are performed using the exact form of the second order velocity potential, φ₂, with arbitrary wave number, k₂, and the approximate form of φ₂, with twice the value of the wave number of the first order velocity potential. The second order analytical predictions are compared with available experimental data for various ranges of wave parameters for both circular and square caissons in large amplitude waves.     

广义扩展有限元法及其在裂纹扩展分析中的应用

结合广义有限元法(GFEM)和扩展有限元法(XFEM)的特点,提出了一种新的数值方法——广义扩展有限元法(GXFEM)。阐述了广义扩展有限元法的基本原理,对相关公式进行推导,探讨数值实施中需注意的重要问题,给出利用广义扩展有限元法进行断裂分析时应力强度因子的计算方法,编写了广义扩展有限元法程序。通过算例进行了应力强度因子的计算,模拟了结构裂纹的扩展过程。算例结果表明,利用广义扩展有限元法计算裂纹扩展问题,不需要进行过密的网格划分,且网格在裂纹扩展后无需重新剖分,具有相当高的计算精度。     

半导体超晶格属性的高分辨率X射线衍射研究

详细阐述了低维半导体材料的X射线衍射的动力学理论和运动学理论从高木陶平(T-T)方程出发,基于波动光学原理,推导出任意结构的多层膜的X射线衍射振幅的递推关系式并编写X射线衍射的程序,分别用动力学和运动学衍射理论模型模拟了20层GaAlAs/GaAs超晶格的X射线衍射结果,得到超晶格样品的结构参量.     

Back to the future: A retrospective assessment of model‐based scenarios for the management of the shrimp fishery in French Guiana facing global change

While the number of models dedicated to predicting the consequences of alternative resource management strategies has increased, instances in which authors look back at past predictions to learn from discrepancies between these and observed developments are scarce. In the past decades, the French Guiana shrimp fishery has experienced shrimp market globalization and decreasing levels of shrimp recruitment due to environmental changes. In 2006, a bio‐economic model of this fishery was developed to simulate its possible responses to economic and environmental scenarios up to 2016. Here, we compare here these predictions to the observed trajectories. While the number of active vessels corresponds to that which was predicted, the estimated shrimp stock does not. Important driving factors had not been anticipated, including a general strike, natural disasters, and the end of the global financial crisis. These results show the importance of participative approaches involving stakeholders in the co‐construction and shared representation of scenarios. Recommendations for resource managers

• Effective fisheries resources management and a fortiori, the capacity of the fisheries to adapt to global change, requires understanding of both ecological and economics dynamics.
• The temporal trajectory of the trawling shrimp fisheries has been well monitored, and the decline of both stock and fleet is understood regarding ecological and economic changes: Changes in the environmental conditions of shrimp recruitment, and oil price increase and selling price decrease.
• However, our bio‐economic modeling work showed that, even with a good understanding of the dynamics explaining past trajectories, unpredictable events (strike, natural disasters…) have acted as other key driving factors altering the capacity of the model to represent possible futures.
• These results led us to recommend a better integration of the expertise of social and political scientists in developing models of bio‐economic systems to increase the quality of scenario predictions, and to argue for more participative approaches involving the stakeholders.

     

Simulation of chemical metabolism for fate and hazard assessment. I. Approach for simulating metabolism

Information regarding the metabolism of xenobiotic chemicals plays a central role in regulatory risk assessments. In regulatory programmes where metabolism studies are required, the studies of metabolic pathways are often incomplete and the identification of activated metabolites and important degradation products are limited by analytical methods. Because so many more new chemicals are being produced than can be assessed for potential hazards, setting assessment priorities among the thousands of untested chemicals requires methods for predictive hazard identification which can be derived directly from chemical structure and their likely metabolites. In a series of papers we are sharing our experience in the computerized management of metabolic data and the development of simulators of metabolism for predicting the environmental fate and (eco)toxicity of chemicals. The first paper of the series presents a knowledge-based formalism for the computer simulation of non-intermediary metabolism for untested chemicals, with an emphasis on qualitative and quantitative aspects of modelling metabolism.     

Finite Element Based Micro-mechanical Modeling of Interphase in Filler Reinforced Elastomers

Characteristic properties of elastomers can be tailored by embedding them with filler particles. Along with enhancing the overall properties of the composite, filler particles also induce some inelastic effects. In this paper, a finite element computational model is used to study the effect of microstructure morphology in filled elastomers, on its macroscopic large deformation behavior. A multiphase material model that accounts for the hypothesis of shift in glass transition temperature in the vicinity of the filler particle is developed to simulate the interphase between the fillers and the matrix. It also accounts for the breakdown and re-aggregation of filler networks under cyclic loading. Examples at the microstructural level, demonstrating the dynamics of the interphase using the developed multiphase model have been successfully simulated. The obtained results are in good qualitative agreement with the Mullins effect. Therefore, computational experiments using this methodology enable the prediction of the experimentally observed softening behavior in filled elastomers based on its microstructure evolution.     

Development of Complex Mathematical Model of Light Naphtha Isomerization and Rectification Processes

The technique of developing a mathematical model of catalytic isomerization of light naphtha is stated Using experimental data from an industrial isomerization unit shows adequacy of the mathematical model to the real process. The paper presents a method for optimizing the operation of the plant together with catalytic isomerization unit and separation columns. Selection of optimal modes of separation columns allows achieving the desired flow separation between units, as well as extension of the life of the catalyst SI-2.     

The evolution of numerical methods for predicting the distribution of surfactant in the bubble-scale dynamics of foams

Many numerical methods now exist to simulate the structure and dynamics of surface-tension-dominated aqueous foams at the level of the individual films and the liquid structures where they meet. We review these methods, focusing in particular on bubble-scale simulations of foam rheology. We highlight methods that allow the distribution of surfactant during flow to be taken into account.     

Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids

The inhibition effect of N,N′-phosphonomethylglycine (PMG) and vinyl phosphonic acid (VPA) on the 3% NaCl acidic solution corrosion of carbon steel iron was studied at different immersion times by potentiodynamic polarization, electrochemical impedance spectroscopy, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, and computational methods. It is found from the polarization studies that PMG and VPA behave as mixed-type inhibitors in NaCl. Values of charge transfer resistance (R_ct) and double layer capacitance (C_dl) in the absence and presence of inhibitors are determined. The PMG and VPA inhibitors were capable of inhibiting the corrosion process up to ≈91% and ≈85%, respectively. In the presence of PMG, the synergic effect of chlorine ions was observed. Density functional theory (DFT) was engaged to establish the adsorption site of PMG, VPA, and their deprotonated states. For studied compounds, the resulted values of E_LUMO, E_HOMO, energy gap (∆E), dipole moment (μ), electronic hardness (η), global softness (σ), electrophilic index (ω), and the electronic potential map are in concordance with the experimental data results regarding their corrosion inhibition behavior and adsorption on the metal surface.     

Quantitative Time-Resolved Fluorescence Spectrum of the Cortical Sarcoma and the Adjacent Normal Tissue

The difference in time-resolved fluorescence spectrum between the cortical sarcoma and the adjacent normal tissue was studied in both experimental and theoretical ways. The Clinical data were obtained in vivo using a time-resolved fluorescence spectrometer employing a single fiber-optic probe for excitation and detection. Tissue was modeled as s-180 sarcoma tumor surrounded with normal muscle and was mediated by the Palladium-porphyrin photosensitizer (Pd-TCPP). The emitted fluorescence was considered as arising from the tumor tissue or the normal muscle, due to the presence of the photosensitizer. A computational code which could simulating time-resolved fluorescence emission was presented and applied to comparing fluorescence decay of photosensitizer in different stages of tumor growth. In this code the different stages of the tumor was modeled through changing the time τ, the delay of the fluorescence photon emission and z _max, the thickness of the tumor. It was found in the in vivo experiment that the fluorescence from tumor tissue decayed more quickly than from the adjacent normal muscle. For the ten rats in the first experiment day, the mean decay constant of tumor T _s and normal tissue T _n were 554 and 526 μs, respectively. And T _s increased with the tumor growth, from 554 μs in the first day to 634 μs in the eighth day while T _s kept steady. It was believed that the more adequate oxygen supplied by the normal tissue can more effectively quench the fluorescence and in the normal tissue the photosensitizer lifetime is smaller. As a result the simulated time-resolved fluorescence spectrum of normal tissue showed more quickly decay. And the thickness of the tumor can also delay the fluorescence decay. Both the experimental and simulated results indicated that the germination of the tumor would increase the decay constant of the time-resolved fluorescence spectrum. So decay constant of the tumor tissue spectrum should be larger than that of adjacent normal tissue for the reason of hypoxia and overgrouth. This fact could be of use in the tumor diagnoses.