Atomistic simulations of grain boundary migration in copper

While the motion of twist boundaries can be readily studied by atomistic simulations with molecular dynamics (MD) under the action of an elastic driving force, the approach fails for tilt boundaries. This is due to the interaction of the elastic stress with the grain boundary (GB) structure, which causes plastic strain by GB sliding. A novel concept, the orientation correlated driving force, is introduced to circumvent this problem. It is shown that this concept can be successfully applied to the study of the migration of tilt boundaries. The migration behavior of several twist and tilt GBs was investigated. The transition from low-to high-angle boundaries can be captured, and a structural transition of tilt boundaries was found at high temperatures, which also affected the migration behavior. The results compare well with experimental results of the motion high-angle boundaries, but for low-angle boundaries, the agreement is poor. This article is based on a presentation made in the “Hillert Symposium on Thermodynamics & Kinetics of Migrating Interfaces in Steels and Other Complex Alloys,” December 2–3, 2004, organized by The Royal Institute of Technology in Stockholm, Sweden.     

Identification of the adverse effect of nitrate on the phosphate release rate and improvement of EBPR process models.

The adverse effect of nitrate on the phosphate release rate in the anaerobic phase was observed and was hardly explainable with conventional EBPR process models. Four possible mechanisms were proposed including substrate competition, reduced fermentation, parallel reaction and sequential reaction. Batch experiments were designed and conducted to identify the dominant mechanism. Results showed that the sequential reaction was the only possible mechanism where only denitrification occurred if any nitrate existed in the anaerobic phase. Then the phosphate release following after the nitrate was completely removed. Nitrate inhibition effect was added into the PHA storage rate to incorporate the sequential reaction in the conventional ASM3 plus EAWAG bio-P module (ASM3 + P). Nitrate inhibition coefficient, K(I,NO,PAO) was found to be as low as 0.05 mg/L. This correlated well with experimental observation where no also meant that the anaerobic compartment of a continuous flow reactor could be seriously affected by the residual nitrate contained in the sludge recycle flow. This phenomenon caused overestimation of the phosphate uptake rate and consequently underestimation of PO4(3-) -P concentration. This problem was resolved by incorporation of a nitrate inhibition term in the ASM3 + P for more accurate simulation of the EBPR process.     

WWTP dynamic disturbance modelling--an essential module for long-term benchmarking development.

Intensive use of the benchmark simulation model No. 1 (BSM1), a protocol for objective comparison of the effectiveness of control strategies in biological nitrogen removal activated sludge plants, has also revealed a number of limitations. Preliminary definitions of the long-term benchmark simulation model No. 1 (BSM1_LT) and the benchmark simulation model No. 2 (BSM2) have been made to extend BSM1 for evaluation of process monitoring methods and plant-wide control strategies, respectively. Influent-related disturbances for BSM1_LT/BSM2 are to be generated with a model, and this paper provides a general overview of the modelling methods used. Typical influent dynamic phenomena generated with the BSM1_LT/BSM2 influent disturbance model, including diurnal, weekend, seasonal and holiday effects, as well as rainfall, are illustrated with simulation results. As a result of the work described in this paper, a proposed influent model/file has been released to the benchmark developers for evaluation purposes. Pending this evaluation, a final BSM1_LT/BSM2 influent disturbance model definition is foreseen. Preliminary simulations with dynamic influent data generated by the influent disturbance model indicate that default BSM1 activated sludge plant control strategies will need extensions for BSM1_LT/BSM2 to efficiently handle 1 year of influent dynamics.     

Inhibition of microbial growth in ready‐to‐eat food stored at ambient temperature by modified atmosphere packaging

This study was undertaken to develop a modified atmosphere package to control microbial growth in ready‐to‐eat (RTE) products stored at ambient temperature. Ethanol and/or limonene associated with modified atmosphere (CO₂ : O₂ : N₂ = 30% : 5% : 65%) was used to inhibit the growth of total air‐borne microorganisms and Escherichia coli in RTE products stored at 25°C. The results indicated that 0.05% ethanol vapour in the headspace was effective to inhibit the growth of air‐borne microorganisms and E. coli at 25°C for 72 h in a model study, and the effectiveness was related to ethanol content. Both 73 ppm limonene and 0.05% ethanol vapour enhanced the bacteriostatic effect of modified atmosphere in RTE sushi roll products, and no off‐flavour was detected using this formulated gas; however, no significant inhibitory effect was observed for RTE cold noodle products. This study concludes that combinations of carbon dioxide, ethanol or limonene vapours are effective to inhibit microbial growth in RTE food at ambient temperature, and the outcome may be due to the hurdle effect. Copyright © 2003 John Wiley & Sons, Ltd.     

Methods of Verifying Continuous Automatic Belt Weighers: State and Prospects

The basic methods of verifying continuous automatic belt weighers are described. A comparative analysis of these methods on the basis of experimental studies is made and ways of implementing the results in industry are recommended.     

Experimental and modeling approaches of MR behaviors under large step strains

Rheological properties of MR fluids under large step strain shear are presented in this paper. The experiments were carried out using a rheometer with parallel-plate geometry. Under the large step strain shear, MR fluids behave as nonlinear viscoelastic properties, where the stress relaxation modulus, G(t, γ), shows a decreasing trend with step strain. The experimental results indicate that G(t, γ) obeys time-strain separability. Thus, a mathematical form based on finite exponential serials is proposed to predict MR behavior. In this model, G(t, γ) is represented as the product of a linear stress relaxation, G(t), and the damping function, h(γ), i.e. G(t, γ)=G(t) h(γ). G(t) is simply represented as a three-parameter exponential serial and h(γ) has a sigmoidal form with two parameters. The parameters are identified by adopting an efficient optimization method proposed by Stango et al. The comparison between the experimental results and the model-predicted values indicates that this mathematical model can accurately predict MR behavior.     

The anisotropic effect of a weak magnetic field on the photoconductivity of C<Subscript>60</Subscript> single crystals

The effect of crystal orientation on the photogeneration of free charge carriers was studied for C₆₀ single crystals in a weak magnetic field. The photoconductivity sharply depends on the orientation of magnetic field with respect to the crystallographic directions, showing a 5–8% increase for seven axes of the C₆₀ crystal.     

Popular biorthogonal wavelet filters via a lifting scheme and its application in image compression

A technique using a lifting scheme is presented for constructing compactly supported wavelets whose coefficients are composed of free variables locating in an interval. An efficient approach-based wavelet for image compression is developed by selecting the coefficients of the 9-7 wavelet filter and associated lifting scheme. Furthermore, the rationalised coefficients wavelet filter that can be implemented with simple integer arithmetic is achieved and its characteristic is close to the well known original irrational coefficients 9-7 wavelet filters developed by A. Cohen et al. (Commun. Pure Appl. Maths., vol.45, no.1, p.485-560, 1992). To reduce the computational cost of image coding applications further, an acceleration technique is proposed for the lifting steps. Software and hardware simulations show that the new method has very low complexity, and simultaneously preserves the high quality of the compressed image.     

Thermodynamic stability of GaInSb,InAsSb, and GaInP epitaxial films

The miscibility gaps and the critical temperatures of spinodal decomposition of ternary semiconducting Ga-In-Sb, Ga-In-P, and In-As-Sb systems are calculated by taking into account the deformation energy and the effect of plastic relaxation caused by the misfit dislocations. It is shown that taking into consideration elastic energy narrows the ranges of spinodal decomposition and lowers its critical temperature. The introduction of the phenomenological parameter into Matthews-Blakeslee formula makes it possible to reach a satisfactory agreement between theoretically calculated values of critical thickness of epitaxial films and the experimental data.