Accommodation of impurities in α-Al2O3, α-Cr2O3 and α-Fe2O3

Atomic scale computer simulation was used to predict the mechanisms and energies associated with the accommodation of aliovalent and isovalent dopants in three host oxides with the corundum structure. Here we consider a much more extensive range of dopant ions than has previously been the case. This enables a rigorous comparison of calculated mechanism energetics. From this we predict that divalent ions are charge compensated by oxygen vacancies and tetravalent ions by cation vacancies over the full range of dopant radii. When defect associations are included in the model these conclusions remain valid. At equilibrium, defects resulting from extrinsic dopant solution dominate intrinsic processes, except for the largest dopant cations. Solution reaction energies increase markedly with increasing dopant radius. The behaviour of cluster binding energies is more complex.     

A calibration protocol of a one-dimensional moving bed bioreactor (MBBR) dynamic model for nitrogen removal

This work suggests a procedure to correctly calibrate the parameters of a one-dimensional MBBR dynamic model in nitrification treatment. The study deals with the MBBR configuration with two reactors in series, one for carbon treatment and the other for nitrogen treatment. Because of the influence of the first reactor on the second one, the approach needs a specific calibration strategy. Firstly, a comparison between measured values and simulated ones obtained with default parameters has been carried out. Simulated values of filtered COD, NH(4)-N and dissolved oxygen are underestimated and nitrates are overestimated compared with observed data. Thus, nitrifying rate and oxygen transfer into the biofilm are overvalued. Secondly, a sensitivity analysis was carried out for parameters and for COD fractionation. It revealed three classes of sensitive parameters: physical, diffusional and kinetic. Then a calibration protocol of the MBBR dynamic model was proposed. It was successfully tested on data recorded at a pilot-scale plant and a calibrated set of values was obtained for four parameters: the maximum biofilm thickness, the detachment rate, the maximum autotrophic growth rate and the oxygen transfer rate.     

Impact of pulmonary vascular stiffness and vasodilator treatment in pediatric pulmonary hypertension: 21 patient-specific fluid-structure interaction studies

Recent clinical studies of pulmonary arterial hypertension (PAH) have found correlations between increased pulmonary vascular stiffness (PVS) and poorer disease outcomes. However, mechanistic questions remain about the relationships amongst PVS, RV power, and vascular hemodynamics in the setting of progressive PAH that are difficult or impossible to answer using direct measurements. Clinically validated patient-specific computational modeling may allow exploration of these issues through perturbation-based predictive testing. Here we use a simple patient-specific model to answer four questions: how do hemodynamics change as PAH worsens? How does increasing PVS impact hemodynamics and RV power? For a patient with moderate PAH, what are the consequences if the pressures increase modestly yet sufficiently to engage collagen in those vessels? What impact does pressure-reducing vasodilator treatment have on hemodynamics? Twenty-one sets of model-predicted impedance and mean PA pressure (mPAP) show good agreement with clinical measurements, thereby validating the model. Worsening was modeled using data from three PAH outcomes groups; these show not only the expected increase in mPAP, but also an increase in pressure pulsatility. Interestingly, chronically increasing mPAP decreased WSS, suggesting that increased PA cross-sectional area affected WSS greater than increased PVS. For a patient with moderately high PVR (12.7 WU) with elastin-based upstream vascular remodeling, moving from elastin-dominant vessel behavior to collagen-dominant behavior caused substantial increases in mPAP, pressure and WSS pulsatility. For the same patient, reducing PVR through a simulated vasodilator to a value equivalent to mild PAH did not decrease pressure pulsatility and dramatically increased WSS pulsatility. Overall, these results suggest a close association between PVS and hemodynamics and that hemodynamics may play an important role in progressing PAH. These support the hypothesis that treatments should target decreasing or reversing upstream vascular remodeling in addition to decreasing mean pressures.     

A study of Cu/Low-k stress-induced voiding at via bottom and its microstructure effect

Microstructure effect of Cu/low-k interconnect, which is substantially affected by process condition or manufacturing deviation, is a dominated factors for copper stress and critical to the formation of stress-induced voiding (SIV). In this work, SIV at via bottom is studied in the aspects of thickness variation of copper interconnect and low-k dielectric. Besides, via-related factors consist of via profile and dimension are also involved in SIV sensitivity studies. With the assistance of finite element analysis (FEA), Cu stress in terms of different Cu/low-k microstructure scenarios are modelled to understand the voiding evolution and explore the their dependence with SIV susceptibility. Meanwhile, microstructure effects with and without redundant via are also simulated to evaluate their impacts on SIV immunity.     

Surface spin polarization in Fe(1 1 0) and Ni(1 1 0)

The magnetism of Ni(1 1 0) and Fe(1 1 0) surfaces was investigated by electron capture spectroscopy. He⁺ and He²⁺ ions impinged on the Fe(1 1 0) and Ni(1 1 0) surfaces under grazing incidence, and the degree of polarization of the light emitted by the neutralized projectiles was analyzed. Our measurements show that in Ni(1 1 0) minority electrons have a higher density of states at the Fermi energy than majority electrons, opposed to the Fe(1 1 0) case. From a comparison of our measurements we estimate the ratio between captured minority and majority electrons in Ni(1 1 0) to be similar as the ratio between captured majority and minority electrons in Fe(1 1 0).     

Failure in internally pressurized bent tubes

The analysis and modeling of tube-hydroformed components is more complicated than that employed for sheet-metal panels, due to the lengthier process sequence and variable strain path—from flat-rolled sheet to tube; from straight tube to bent tube; and from bent tube to hydroformed component. These additional process steps make it difficult to determine whether post mortem analyses of tube failure during hydroforming can, and should, be conducted with the same tools and databases as used for simple stampings. To provide a partial answer, the properties of commercially fabricated welded straight tubes were evaluated using a free-expansion internal pressure test and compared with those of free-expansion internal pressure tests on bent tubes. The results demonstrated that the behavior of the bent tube was consistent with the mechanical properties of the as-received tube, provided due notice was accorded to the complex strain history of the bent tube. However, due to the strain-path changes occurring at the failure location, conventional approaches for monitoring strain history would yield (apparently) anomalous results.     

An approach to regulating machine sharing in reconfigurable back-end semiconductor manufacturing

By complying with the operational philosophy of virtual production lines, a back-end semiconductor manufacturing system can be controlled and managed with better reconfigurability. However, due to the absence of a fully-integrated information system and the gaining popularity of distributed computing, machine reconfiguration decisions are made by machine controllers on the shop floor where heterarchical control architecture is typically used. This research investigates how non-cooperative game theory could be applied for facilitating the decision process reconfiguration decision-making at the machine controller level as machines are competed by multiple jobs streams. This paper presents how material flow traffic can be better regulated in a reconfigurable manufacturing environment. A study using an industrial pilot system is discussed to demonstrate the applicability of the proposed approach, in which heuristics are used to determine the game specification.