AlN epilayers are grown directly on sapphire (0001) substrates each of which has a low temperature AlN nucleation layer. The effects of pretreatments of sapphire snbstrates, including exposures to NH3/H2 and to H2 only ambients at different temperatures, before the growth of AlN epilayers is investigated. In-plane misoriented crystals occur in N-polar AlN epilayers each with pretreatment in a H2 only ambient, and are characterized by six 60°-apart peaks with splits in each peak in (1012) phi scan and two sets of hexagonal diffraction patterns taken along the [0001] zone axis in electron diffraction. These misoriented crystals can be eliminated in AlN epilayers by the pretreatment of sapphire substrates in the NH3/H2 ambient. AlN epilayers by the pretreatment of sapphire substrates in the NH3/H2 ambient are Al-polar. Our results show the pretreatments and the nucleation layers are responsible for the polarities of the AlN epilayers. We ascribe these results to the different strain relaxation mechanisms induced by the lattice mismatch of AlN and sapphire. 相似文献
ReaxFF molecular dynamics (MD) simulations are performed to study high-temperature pyrolysis of toluene under microwave heating. It is observed that the temperature of the reaction system under microwave heating has a rapidly rising stage, which is similar to the phenomenon of thermal runaway often appeared in reactions under microwave heating. Simulations indicate that the consumption rate of toluene and generating rates of H2 and CH4 obtained under microwave heating are always lower than those obtained under conventional heating at the early stage. Analyses of the pyrolysis of toluene show that ReaxFF MD simulations can provide an efficient way to study chemical reactions under microwave heating. 相似文献
The temperature induced changes in the intensities of the infrared absorption bands of PVA in both MID and NIR regions are presented. The absorption band at 1141cm-1 is the only band among the bands in the mid region which is markedly affected by temperature. This band is taken as a measure of crystallinity of PVA. PVA shows two phase transitions at 80c0 and 120c0. The absorbances of the 1940nm in the near region is also temperature sensititve. The temperature dependence of the other bands in either mid or near regions is very weak. The effect of non polar and polar solvents such as n-hexane, carbon tetrachloride, toluene, chloroform, methanol and acetone is discussed. Comparison between the solvent induced changes in the intensities of the bands in mid and near regions is carried out. The data demonstrate that the bands in the near region ( overtone and combinations) are more sensitive to solvents than the bands in the mid regions. The combined effect of temperature and solvents on the intensities of absorption bands of PVA is also studied. 相似文献
It is a well known fact that ionospheric delay error is a predominant factor which influences the positioning accuarcy of GNSS.Although the main part of the first-order ionospheric delay error can be removed by the frequency-dependent behaviors of the ionosphere,the second-order ionospheric delay error must be eliminated to achieve millimetre-scale positioning accuracy.Due to COSMIC occultation providing electron density profiles on the global scale,the paper presents the first-order and the second-order ionospheric delay error analysis on the global scale using the inversion of electron density profiles from COSMIC occultation data during 2009–2011.Firstly,because of the special geographical location of three ISR(incoherent scatter radar),the first-order and the second-order ionospheric delay errors are calculated and discussed;the paper also shows and analyzes the diurnal,seasonal,semi-annual variation of ionospheric delay error with respect to signal direction.Results show that for the L1 signal path,the first-order ionospheric delay error is the largest near the equator,which is circa 7 m;the maximum second-order ionospheric delay error are circa 0.6 cm,0.8 cm and 0.6 cm respectively for L1 signals coming from the zenith,the north and the south at 10 degree elevation angles.The second-order ionospheric delay error on the L1 signal path from zenith are the symmetry between 15°and 15°with respect to magnetic equator,and are nearly zero at the magnetic equator.For the first time,the second-order ionospheric delay error on the global scale is presented,so this research will greatly contribute to analysing the higher-order ionospheric delay error characteristics on the global scale. 相似文献
Theoretical model and solutions on power line harmonic radiation (PLHR) propagating in the ground, air, and anisotropic homogeneous ionosphere are presented, The theoretical model is verified by the PLHR events observed by the DEMETER satellite. Some propagation characteristics of PLHR based on the model are obtained. This paper is bene- ficial to quantitatively interpret the formation mechanism of PLHR phenomenon. 相似文献
A chromatographic method utilizing hydrophilic interaction liquid chromatography was developed for the estimation of highly polar pharmaceutical adulterants in commercial slimming products. Five adulterants, phenylpropanolamine, salbutamol, phenformin, buformin, and metformin, were successfully separated on an XBridge? amide column (3.5 µm, 4.6?×?250 mm) using a mobile phase composed of acetonitrile/26.5 mM ammonium formate containing 0.1% formic acid (85:15) flowing at the rate of 0.8?mL/min. Wavelengths for monitoring the elution of these compounds were determined based on the wavelength of their absorption maxima (λmax?=?208, 226, and 236 nm). The developed method was validated for specificity, linearity, accuracy, precision, and robustness. Interassay comparison showed that the performance of the hydrophilic interaction liquid chromatography-based method was superior to that of the traditional reversed-phase liquid chromatography-based method. Therefore, the proposed method is useful to analyze highly polar pharmaceutical adulterants in slimming products. 相似文献
The present work describes a fully automated method based on online solid phase extraction–liquid chromatography–tandem mass spectrometry for the determination of different classes of pesticides, including acidic and polar pesticides and six thiamethoxam metabolites. Sample preconcentration was performed by extracting 4 mL of the sample with a single styrene-divinylbenzene polymer. Elution of the compounds was done within the high performance liquid chromatography gradient and tandem mass spectrometry determination was performed in the selected reaction monitoring mode, by recording 1–3 transitions per compound. The overall pretreatment and analysis time per sample was less than 15 min. Method validation was performed in drinking, ground and surface water. For nearly all compounds a recovery between 70% and 120% could be achieved. The limit of detection ranges from 1.2 to 18 ng/L in drinking water and 3.0 to 23 ng/L in ground and surface water. The correlation coefficients for a calibration range of 0.05–2 µg/L are between 0.9915 and 0.9999. The limit of quantification (LOQ) for all compounds lies below the required limit of 0.1 µg/L, to fulfil the Council Directive 98/83/EC. Most of the compounds easily reach an LOQ below 0.05 µg/L. 相似文献
The metal catalyzed polymerization of methyl methacrylate using Cu(0) as the catalyst source has been investigated in toluene. This work looks at polymerizations in a non‐polar medium allowing control over the molecular weight and polydispersity with a 4‐fold reduction in catalyst concentration versus conventional ATRP, while the use of an active ligand allows the reaction to proceed at room temperature. The use of an excess of PMDETA ligand allows for high conversions, and the addition of a small amount of CuBr2 enhances living characteristics, enabling efficient chain extension.
We present a new modification of the so‐called conformation‐dependent sequence design scheme for HP copolymers which was proposed several years ago (H and P refer to the hydrophobic and polar monomer units, respectively). New method models the real chemical experiments more realistically. We performed Monte Carlo computer simulations using the bond‐fluctuation model for protein‐like copolymers obtained by means of the new “iterative” method and compared the results with those obtained for originally proposed “instantaneous coloring” procedure. Copolymers designed by the “iterative” method are shown to have better‐optimized functional properties. The investigation of the influence of sequence preparation conditions has revealed that the statistical properties of designed HP sequences depend rather strongly on the density of the parent homopolymer globule but not on the composition of H and P units. 相似文献