Yang G.,Anyang University, China |
Chen B.F.,Anyang Institute of Technology
Journal of Alloys and Compounds | Year: 2014
A new high-pressure superhard boron nitride phase dubbed as I-BN is proposed at 50 GPa through the newly developed particle swarm optimization (PSO) algorithm on crystal structural prediction. Then it was investigated using first-principles calculations within the framework of density functional theory. The calculations indicated that the predicted I-BN is mechanically and dynamically stable at ambient conditions. It becomes more energetically favorable than h-BN beyond 37.2 GPa. Amazingly, its Vickers hardness is 47 GPa, which is a potential superhard material. The analysis of density of states and electronic localization function has demonstrated that the strong covalent B-N bonds in I-BN play a key role on its high hardness. © 2014 Elsevier B.V. All rights reserved.
Yuan C.,Anyang Institute of Technology |
Jin Z.,Jiangnan University |
Xu X.,Jiangnan University
Carbohydrate Polymers | Year: 2012
The structure and complex mode of the inclusion complex of astaxanthin with hydroxypropyl-β-cyclodextrin (HPCD) were investigated by UV, FTIR, 1H NMR and molecular modeling test. UV, FTIR and 1H NMR results indicated that the hexatomic ring of the astaxanthin molecules were partly included into the HPCD cavities. The implementation of molecular modeling test confirmed that the complexation could reduce the energy of the system and the complex of 2:1 host-guest stoichiometry had the lowest ΔE value, -30.57 kcal/mol, two hexatomic ring ends of one astaxanthin molecule inserted into two HPCD cavities respectively, and that should be the most predominant configuration. © 2012 Elsevier Ltd. All rights reserved.
Zhang X.,Dezhou University |
Jin M.,Anyang Institute of Technology
Journal of Power Sources | Year: 2010
The layered GdBa0.5Sr0.5Co2O5+δ (GBSC) perovskite oxides are synthesized by Pechini method and investigated as a novel cathode material for intermediate-temperature solid oxide fuel cells (IT-SOFCs). The single cell of NiO-SDC (Sm0.2Ce0.8O1.9)/SDC (∼20 μm)/GBSC (∼10 μm) is operated from 550 to 700 °C fed with humidified H2 as fuel and the static air as oxidant. An open circuit voltage of 0.8 V and a maximum power density of 725 mW cm-2 are achieved at 700 °C. The interfacial polarization resistance is as low as 0.88, 0.29, 0.13 and 0.05 Ω cm2 at 550, 600, 650 and 700 °C, respectively. The ratio of polarization resistance to total cell resistance decreases with the increase in the operating temperature, from 60% at 550 °C to 21% at 700 °C, respectively. The experimental results indicate that GBSC is a promising cathode material for IT-SOFCs. © 2009 Elsevier B.V. All rights reserved.
Zhang Y.-W.,Anyang Institute of Technology
Acta Crystallographica Section E: Structure Reports Online | Year: 2010
In the cation of the title compound, C 6H 6N 5 +·Cl -, the tetrazole and pyridine rings are nearly coplanar, making a dihedral angle of 5.58 (11)°. The organic cations are linked to the chloride anions via N - H⋯Cl hydrogen bonds, forming chains along .
Cho K.H.,Anyang Institute of Technology
Exploration Geophysics | Year: 2014
Imaging of Rayleigh- and Love-wave velocities is very important in detecting geophysical anomalies within the earth. Surface wave velocity imaging studies using ambient noise have provided enhanced and detailed images of velocity anomalies for sedimentary basins, hotspots, and volcanoes in various regions of the Earth (Yang et al., 2008). Cross-correlations of ambient noises observed from the Korea Meteorological Administration (KMA) seismic network provide the short-period Rayleigh-and Love-wave dispersion characteristics of the Korean Peninsula (Cho et al., 2007). Signal whitening and multiple-filter analysis are used to equalise power in signals from different times before noise processing, such as cross-correlation and stacking to extract group velocities from the estimated Green's functions, which are then used to image the spatially varying dispersion at periods between 1 and 5s. The analysis method and data used in this paper are the same as those of Cho et al. (2007) except for the addition of the dataset of a new station, HUK. However, this paper notes that Rayleigh- and Love-wave velocity images in short periods show a very different group velocity image for the north-eastern area of the HUK station because additional data was analysed. This velocity anomaly corresponds with the residual anomaly of gravity tomography obtained in prior studies (Yu and Min, 2005; Kim and Oh, 2007). Our results show that a fracture zone concerning the Permo-Triassic collision (Choi et al., 2006; Kwon et al., 2009) exists below the north-eastern sea of the HUK station. In addition, recent studies (de Ridder and Dellinger, 2011; de Ridder and Biondi, 2013; Mordret et al., 2011, 2013a, 2013b, 2013c; Bussat and Kugler, 2011) regarding ambient noise tomography in hydro-carbon fields show that the anomaly might have resulted from the hydro-carbon reservoir. In the near future, the ambient noise tomography (ANT) method can replace seismic survey dominantly using body waves to find oil and gas reservoirs. © ASEG 2014.