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.     

On-line estimation of kinetic parameters in anaerobic digestion using observer-based estimators and multiwavelength fluorometry.

Observer-based estimators (OBE) were used for estimation of state variables and kinetic parameters in an anaerobic digestion (AD) process. A simplified first-order model with time-varying kinetic parameters was used to design an OBE for kinetic parameter estimation. This approach was validated on a laboratory-scale anaerobic reactor equipped with a multiwavelength fluorometer for on-line measurements of COD and VFA concentrations in the reactor effluent. The proposed estimators provide continuous adjustment of kinetic parameters and can be used for predictions of state variables between samples acquisition and during sensor failure.     

Co-digestion of ruminal content and blood from slaughterhouse industries: influence of solid concentration and ammonium generation.

At the present time, organic solid wastes from industries and agricultural activities are considered to be promising substrates for biogas production via anaerobic digestion. Moreover solids stabilisation is required before reutilization or disposal. Slaughterhouses are among the most important industries in Uruguay and produce 150,000 tons of ruminal content (RC) and 30,000 tons of blood per year. In order to determine the influence of the solids and blood contents, the ammonia inhibition and the inoculum adaptation co-digestion batch tests were performed. A set of experiences with TS concentration of 2.5%, 5% and 7.5% and different ratios of RC/blood were carried out using an inoculum from an UASB reactor. In all experiences fast blood hydrolisation was observed. A higher methane production was detected in the experiences with higher TS content. However, the fraction of solids degradation was lower in these experiences. A plateau in the biogas production was found. The free ammonia level, which was above the reported inhibitory levels, could explain this behaviour. After the inhibition period the biogas production restarted probably due to the biomass acclimatisation to the ammonia. In order to determine the inoculum adaptation a new experiment was performed. The inoculum used was the sludge coming from the first set of experiences. Based upon batch tests a 3.5 m3 pilot reactor was designed and started up. Ammonia inhibition was avoided by the start-up strategy and in two weeks the biogas production was 3.5 m3/d. The VS stabilisation with a solid retention time of 20 days was of 43%. The pilot reactor working at steady state had a TS concentration of 3-4% with a ratio of RC/blood of 10:1 at the entrance.     

Design of a retention tank: comparison of stormwater quality models with various levels of complexity.

Stormwater quality simulation models are useful tools for the design and management of sewer systems. Modelling results are highly sensitive to experimental data used for calibration. This sensitivity is examined for three modelling approaches of various complexities (site mean concentration approach, event mean concentration approach and build-up, washoff and transport modelling approach) applied to a typical case study (design of a dry detention tank), accounting for the variability of calibration data and their effect on simulation results. Calibrated models with different calibration data sets were used to simulate 3 years of rainfall with different retention tank specific volumes. Annual pollutant load interception efficiencies were determined. Simulations results revealed (i) that there is no advantage in using the EMC model compared to the SMC model and (ii) that the BWT model resulted in higher design ratios than those given by the SMC/hydraulic approach. For both EMC and BWT models, using an increasing number n of events for calibration leads to narrower confidence intervals for the design ratios. It is crucial for design ratios to account for successive storm events in chronological order and to account for the maximum allowable flow to be transferred to the downstream WWTP.     

Development of a simple microsystems membrane probe card

Presented here are details of the development of a novel membrane integrated circuit (IC) probe card structure based on microsystems technology. The device design allows probing of both solder bumps and pads. A self-limiting sensor was integrated to prolong device lifetime. Comparison with and discussion of the use of modelling is made. Possible enhancements to the probing structure are discussed to improve alignment and measurements. Also shown is data using our microsystems probe card to access a simple IC device. Our device has a contact resistance of less than 0.5 Ω for a force of 0.004 N. A method to implement our probing structure for commercial application and the potential developments which can be made to improve its ease of use are then discussed.     

Vacuum degassing of chromium-nickel-molybdenum steel at the Magnitogorsk Metallurgical Combine

The Magnitogorsk Metallurgical Combine has conducted a study of the effect of technological factors on the hydrogen content of chromium-nickel-molybdenum steel after vacuum degassing. It was established that the most important factor is the hydrogen content of the steel before the degassing operation. The study also determined the effects of the circulation coefficient, the duration of the degassing operation, and the vacuum used in the treatment. __________ Translated from Metallurg, No. 7, pp. 68–69, July, 2006.     

Improved homogenization of Ni in sintered steels through the use of Cr-containing prealloyed powders

The homogenization of Ni in powder metal (PM) steel compacts is usually difficult even after high-temperature sintering at 1250°C. An earlier study by the authors demonstrated that this problem can be alleviated through the addition of 0.5 wt pct Cr in the form of stainless steel powders. To further improve the microstructure and mechanical properties of Ni-containing PM steels and to understand the mechanisms, an attempt was made in this study using the Fe-3Cr-0.5Mo prealloyed powder as the base material. The results showed that the distribution of the Ni additives was significantly improved. As a result, the tensile strength of the Fe-3Cr-0.5Mo-4Ni-0.5C compact sintered at 1250°C reached 1323 MPa. The elongation was higher than 1 pct. These sinter-hardened properties, which were attained using a slow furnace cooling rate, were comparable to those of the sinter-hardened alloys reported in the literature using accelerated cooling and were equivalent to those of the best quenched-and-tempered alloys registered in the Metal Powder Industries Federation (MPIF) standards. These improvements were attributed to the positive effect of Cr addition on alloy homogenization due to the reduction of the repelling effect between Ni and C, as was demonstrated through the thermodynamic analysis using the Thermo-Calc program.     

Understanding silica-supported metal catalysts: Pd/silica as a case study

Supported metal catalysts, particularly noble metals supported on SiO₂, have attracted considerable attention due to the importance of the silica–metal interface in heterogeneous catalysis and in electronic device fabrication. Several important issues, e.g., the stability of the metal–oxide interface at working temperatures and pressures, are not well-understood. In this review, the present status of our understanding of the metal–silica interface is reviewed. Recent results of model studies in our laboratories on Pd/SiO₂/Mo(1 1 2) using LEED, AES and STM are reported. In this work, epitaxial, ultrathin, well-ordered SiO₂ films were grown on a Mo(1 1 2) substrate to circumvent complications that frequently arise from the silica–silicon interface present in silica thin films grown on silicon.     

Structure and electrical characteristics of Ce4+-doped Ba2In2O5

The In-site of Ba₂In₂O₅ with Brownmillerite structure was partially substituted for Ce⁴⁺ ions in order to examine the doping effect on the order-disorder transition. Ba₂In_{2 – x} Ce _x O_{5 + x/2} (x = 0.1, 0.2, 0.3, 0.5, 1.0, and 1.5) were prepared by solid state reaction. X-Ray diffraction analyses of these powder samples demonstrated that Ba₂In_{2 – x} Ce _x O_{5 + x/2} (x = 0.1 and 0.2) possesses Brownmillerite structure. With increasing content of Ce⁴⁺ ion the crystal system of Ba₂In_{2 – x} Ce _x O_{5 + x/2} (x = 0.3, 0.5, and 1.0) changed to cubic perovskite structure above the order-disorder transition temperature of Ba₂In₂O₅. Arrhenius plots of the electrical conductivities of Ba₂In_{2 – x} Ce _x O_{5 + x/2} (x = 0.2, 0.3, and 1.0) exhibited no discontinuity. These compounds had high transference numbers of oxide ion above 973 k.