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11.
B. Schönfelder G. Gottstein L. S. Shvindlerman 《Metallurgical and Materials Transactions A》2006,37(6):1757-1771
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. 相似文献
12.
Finite element analysis of problems in structural and geotechnical engineering results in linear systems where the unknowns are displacements and rotations at nodes. Although the solution of these systems can be carried out using either direct or iterative methods, in practice the matrices involved are usually very large and sparse (particularly for 3D problems) so an iterative approach is often advantageous in terms of both computational time and memory requirements. This memory saving can be further enhanced if the method used does not require assembly of the full coefficient matrix during the solution procedure. One disadvantage of iterative methods is the need to apply preconditioning to improve convergence. In this paper, we review a range of established element-based preconditioning methods for linear elastic problems and compare their performance with a new method based on preconditioning with element displacement components. This new method appears to offer a significant improvement in performance. 相似文献
13.
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. 相似文献
14.
S H Lee J H Ko J R Kim Y J Kim J J Lee C W Kim T H Lee 《Water science and technology》2006,53(4-5):115-123
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. 相似文献
15.
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. 相似文献
16.
Isolating applied mathematics from computer science harms the profession and those who depend on it. 相似文献
17.
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. Ba2In2 – x
Ce
x
O5 + 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 Ba2In2 – x
Ce
x
O5 + x/2 (x = 0.1 and 0.2) possesses Brownmillerite structure. With increasing content of Ce4+ ion the crystal system of Ba2In2 – x
Ce
x
O5 + 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 Ba2In2 – x
Ce
x
O5 + 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. 相似文献
18.
We propose a standardization procedure that provides a convenient, quantitative and reproducible laboratory-based method for measuring the state of polarization (SOP) fluctuations produced by polarization varying devices. This method is based on the SOP distributions generated by commercial polarization scramblers. We show that these devices generate distributions of the maximum change of the SOP (in a given sample time) that follow Rayleigh statistics, which scale linearly with scrambling frequency and the sample time. We use this procedure to measure the SOP fluctuations in a short length of coiled fiber subject to mechanical perturbations. 相似文献
19.
A set of poly[N‐oligo(ethylene oxide)yl 4‐vinylpyridinium tosylate] (P4VOEOOTs) has been prepared by spontaneous polymerization of 4‐vinylpyridine. This method gives a grafted polyelectrolyte having a positive charge on every backbone pyridinic moiety. The P4VP15Ts, P4VP164Ts, P4VP350Ts and P4VP750Ts aqueous solution conductivities were determined in the concentration range from 6 × 10?4 to 10?2 M at 25 °C. The variation of the conductivity versus concentration of the investigated system exhibits typical polyelectrolyte behaviour. The polyelectrolyte mobility was found to be dependent on the oligo(ethylene oxide) (OEO) side‐chain length. Manning's rod‐like model fails to describe these results. A simple steric effect is proposed to explain the influence of the OEO length. Copyright © 2003 Society of Chemical Industry 相似文献
20.
Flotation is a water treatment alternative to sedimentation, and uses small bubbles to remove low-density particles from potable water and wastewater. The effect of zeta potential, bubble size and particle size on removal efficiency of the electro-flotation process was investigated because previous model-simulations indicated that these attributes are critical for high collision efficiency between micro-bubbles and particles. Solutions containing Al3+ as the metal ion were subjected to various conditions. The zeta potentials of bubbles and particles were similar under identical conditions, and their charges were influenced by metal ion concentration and pH. Maximum removal efficiency was 98 and 12% in the presence and absence of flocculation, respectively. Removal efficiency was higher when particle size was similar to bubble size. These results agree with modelling simulations and indicate that collision efficiency is greater when the zeta potential of one is negative and that of the other is positive and when their sizes are similar. 相似文献