In this work, we investigated the effects of Ca2+ and Mg2+ ions and annealing temperature on the spectroscopic parameters of chromium-doped yttrium aluminum garnet ceramics (Cr:YAG). Samples were obtained with either a separate or a simultaneous addition of calcium and magnesium oxides. To achieve this, aqueous suspensions were prepared using Y2O3, Al2O3, Cr2O3, MgO, and CaO high-purity powders as raw materials. The obtained suspensions were freeze-granulated, pressed into pellets, debinded, and subjected to reactive sintering in vacuum at 1715°C for 6 h. Each material was annealed in air with temperatures between 1300 and 1700°C. Samples were also compared to Cr:YAG ceramics with the addition of silica as a sintering aid. All the materials obtained were then exposed to 445 nm excitation, and emission spectra in the visible and infrared wavelengths were recorded. The results showed that the emission spectra of Cr:YAG ceramics varied according to the annealing conditions: as-sintered samples exhibited strong emissions of around 680 nm and, after air annealing, of around 1400 nm. This phenomenon is attributed to the Cr3+→Cr4+ transition. Samples doped solely with MgO exhibited the highest emission intensity in the infrared region. Thus, Mg2+ ions provided the best conversion efficiency of chromium ions. 相似文献
To improve the mechanical properties and performances of water-atomized powder metallurgy steels, it is necessary to enhance the density. Consolidating water-atomized steel powders via conventional pressing and sintering to a relative density level > 95 pct involves processing challenges. Consolidation of gas-atomized powders to full density by hot isostatic pressing (HIP) is an established process route but utilizing water-atomized powders in HIP involves challenges that result in the formation of prior particle boundaries due to higher oxygen content. In this study, the effect of density and processing conditions on the oxide transformations and mechanical properties from conventional press and sintering, and HIP are evaluated. Hence, water-atomized Cr–Mo-alloyed powder is used and consolidated into different density levels between 6.8 and 7.3 g cm−3 by conventional die pressing and sintering. Fully dense material produced through HIP is evaluated not only of mechanical properties but also for microstructural and fractographic analysis. An empirical model based on power law is fitted to the sintered material properties to estimate and predict the properties up to full density at different sintering conditions. A model describing the mechanism of oxide transformation during sintering and HIP is proposed. The challenges when it comes to the HIP of water-atomized powder are addressed and the requirements for successful HIP processing are discussed.
This paper describes the architecture, the development and the implementation of Janus II, a new generation application-driven number cruncher optimized for Monte Carlo simulations of spin systems (mainly spin glasses). This domain of computational physics is a recognized grand challenge of high-performance computing: the resources necessary to study in detail theoretical models that can make contact with experimental data are by far beyond those available using commodity computer systems. On the other hand, several specific features of the associated algorithms suggest that unconventional computer architectures–that can be implemented with available electronics technologies–may lead to order of magnitude increases in performance, reducing to acceptable values on human scales the time needed to carry out simulation campaigns that would take centuries on commercially available machines. Janus II is one such machine, recently developed and commissioned, that builds upon and improves on the successful JANUS machine, which has been used for physics since 2008 and is still in operation today. This paper describes in detail the motivations behind the project, the computational requirements, the architecture and the implementation of this new machine and compares its expected performances with those of currently available commercial systems. 相似文献
A hyperclique (Xiong et al. in Proceedings of the IEEE international conference on data mining, pp 387–394, 2003) is an itemset containing items that are strongly correlated with each other, based on a user-specified threshold. Hypercliques (HCs) have been successfully used in a number of applications, for example, clustering (Xiong et al. in Proceedings of the 4th SIAM international conference on data mining, pp 279–290, 2004) and noise removal (Xiong et al. in IEEE Trans Knowl Data Eng 18(3):304–319, 2006). Even though HC has been shown to respond well to datasets with skewed support distribution and low support threshold, it may still grow very large for dense datasets and lower h-confidence threshold. In this paper, we propose a new pruning method based on combining HCs and non-derivable itemsets (NDIs) (Calders and Goethals in Proceedings of the PKDD international conference on principles of data mining and knowledge discovery, pp 74–85, 2002) in order to substantially reduce the amount of generated HCs. Specifically, we propose a new collection of HCs, called non-derivable hypercliques (NDHCs). The NDHC collection is a lossless representation of HCs, that is, given the itemsets in NDHCs, we can generate the complete HC collection and their support, without additional scanning of the dataset. We present an efficient algorithm to mine all NDHC sets, NDHCMiner, and an algorithm to derive all HC sets and their support from NDHCs, NDHCDeriveAll. We experimentally compare our collection, NDHC with HC, with respect to runtime performance as well as total number of generated sets, using real and artificial data. We also show comparisons with another condensed representation of HCs, maximal hyperclique patterns (MHPs). Our experiments show that the NDHC collection offers substantial advantages over HCs, and even MHPs, especially for dense datasets and lower h-confidence values. 相似文献
The increasing availability of personal data of a sequential nature, such as time-stamped transaction or location data, enables increasingly sophisticated sequential pattern mining techniques. However, privacy is at risk if it is possible to reconstruct the identity of individuals from sequential data. Therefore, it is important to develop privacy-preserving techniques that support publishing of really anonymous data, without altering the analysis results significantly. In this paper we propose to apply the Privacy-by-design paradigm for designing a technological framework to counter the threats of undesirable, unlawful effects of privacy violation on sequence data, without obstructing the knowledge discovery opportunities of data mining technologies. First, we introduce a k-anonymity framework for sequence data, by defining the sequence linking attack model and its associated countermeasure, a k-anonymity notion for sequence datasets, which provides a formal protection against the attack. Second, we instantiate this framework and provide a specific method for constructing the k-anonymous version of a sequence dataset, which preserves the results of sequential pattern mining, together with several basic statistics and other analytical properties of the original data, including the clustering structure. A comprehensive experimental study on realistic datasets of process-logs, web-logs and GPS tracks is carried out, which empirically shows how, in our proposed method, the protection of privacy meets analytical utility. 相似文献
Poly(2,6-dimethyl-1,4-phenylene ether) (PPE), which is widely used in high-performance engineering plastics, is obtained by the copper-catalyzed oxidative coupling of 2,6-dimethylphenol. The oxidative polymerizations have been carried out in acetonitrile with structurally related [copper-(N,O-containing ligand)] complexes as the catalyst precursor compounds, which appeared to be of great interest for a better understanding of the factors influencing the catalytic activities. Steric effects (influence of a methyl group close to the metal center; ligands 4–7) or electronic effects (imino versus amino group; ligands 4, 5, 8 and 6, 7, 9, respectively) on the polymerization rates have been demonstrated. The use of mono- or dinucleating ligands has strengthened the proposed mechanism of the reaction involving dinuclear active species. 相似文献
The low temperature crystallization technique for the enrichment of “minor” components, such as sterols and sterol esters,
from vegetable oils was applied to low erucic acid rapeseed oils. The recovery of free sterols and sterol esters was estimated
by use of14C-cholesterol and14C-cholesterol oleate. 80% of the free sterols and 45% of the sterol esters were recovered in the liquid fraction, while in
two studies total recoveries were 95% and 99%, respectively. This technique showed some selectivity toward the sterol bound
fatty acids when compared to direct preparative thin layer chromatography (TLC) of the crude oil. Gas liquid chromatography
(GLC) analysis of the free and esterified sterols as TMS-derivatives showed very little selectivity in the enrichment procedure.
The fatty acid patterns of the sterol esters demonstrated, however, a preference in the liquid fraction for those sterol esters
which have a high linoleic and linolenic acid content. The content of free sterols was 0.3–0.4% and that of sterol esters
0.7–1.2% of the rapeseed oils in both winter and summer types of low erucic acid rapeseed (Brassica napus) when the lipid classes were isolated by direct preparative TLC of the oils. The free sterols in the seven cultivars or breeding
lines analyzed were composed of 44–55% sitosterol, 27–36% campesterol, 17–21% brassicasterol, and a trace of cholesterol.
The esterified sterols were 47–57% sitosterol, 36–44% campesterol, 6–9% brassicasterol, and traces of cholesterol and Δ5-avenasterol.
The fatty acid patterns of these esters were characterized by ca. 30% oleic acid and ca. 50% linoleic acid, whereas these
acids constitute 60% and 20%, respectively, of the total fatty acids in the oil. Little or no variation in sterol and sterol
ester patterns with locality within Sweden was observed for the one cultivar of summer rapeseed investigated by the low temperature
crystallization technique. 相似文献
The chemical state of arsenic deposited on a NiMoP/Al2O3 hydrotreating catalyst exposed to ppb levels of arsenic over several years in a refinery reactor has been studied by in situ EXAFS. In the as-received As-NiMoP catalyst, arsenic is exclusively coordinated to oxygen atoms. Upon sulfiding the sample in 2%H2S/2%H2/96%He, the As atoms become surrounded by approximately two sulfur atoms. No evidence was found for Ni–As bond formation. A possible model for the As local environment is suggested on the basis of combined EXAFS results, STM data and FEFF8.0 simulations (program for ab initio calculations on multiple scattering XAFS and XANES). The FEFF8.0 simulations of the proposed model are in accord with the experimental data measured at the As K edge. In this model, an As atom is located at the edge of a hexagonally truncated Ni-MoS2 slab and is blocking the active NiMoS site. 相似文献