NH₂-functionalized open-ended armchair single-wall carbon nanotubes (SWCNT) studied by density functional theory

Hao Li, Aiping Fu, Wenbo Huai, Fengna Guo, Zonghua Wang

Abstract: We study the effects of covalent functionalization of single wall carbon nanotubes on their geometric and electronic properties. The studies are based on the first principles calculationsin the framework of density functional theory. The structures of ideal (5,5) single wall carbon nanotubes (SWCNTs) with 1-5 amino groups at the end of nanotube were fully optimized at the B97D /6-31G* level. We have determined the energies of reaction and the charge distributions of the functionalized SWCNTs with the -NH₂ radical.

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Mathematical Prediction of Flood Loss in Shenzhen City

Zhengyu Li, Hejun Xu, Shuhui Fang

Abstract: Firstly, the flood disaster data of Shenzhen City from 1980 to 2007 were analyzed, and the gray area prediction model was used to forecast the disaster area in 2020, 2030 and 2040, showing a trend of increasing year by year. After that, the ARMA time series model was used to analyze the data. After analyzing and testing, the trend of the runoff of Shenzhen in the future is obtained. Combined with the above two points, draw the future development trend of Shenzhen flood damage.

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Artificial Image Shadows Generation Algorithm Based on Augmented Reality

Huali Yu

Abstract: In this paper, the key image processing technology is researched, and then a suit of commercial MAR application system is developed combined with the National Science and Technology Major Project by ZTE Corporation for the practice and exploration of the MAR industrialization. In which, the key image processing technology includes image retrieval, object registration and tracing, content rendering and image compression in the application, and then some creative methods are proposed to solve some of the related problems of image searching, image reorganization and image rendering in the MAR application.

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Research on the Optimization the Structural Parameters of Mechanical Treadmill

Linzhen Wu

Abstract: This paper proposed a three-dimensional model of treadmill, structural diagram of mechanical transmission, structural optimization model and kinematic analysis model, deriving the values of connecting rods as 0.425 m, 1.673 mand 0.662 m by solving the optimization model. It further conducts a kinematic analysis on treadmill using this set of parameters and kinematic simulation software “Motion”, providing simulation curves of angular displacement, angularvelocity and angular acceleration of the main moving parts such as the connecting rods, pedals and handrail handles. The simulation curves indicate that when the rotation speed of the wheels is 10 r/min, the connecting rods, pedals and handrail handles move smoothly and change almost sinusoidally; the displacement of handles ranges in-700~200 mm, the speed ranges in-400~400 mm/s, the acceleration ranges in -400~500 mm/s2, the angular change of pedals is -5°~30°, the amplitude variation of angular velocity is <25°/s and the amplitude variation of angular acceleration is <28°/s2. The abovementioned calculated prospects of the treadmill provide some reference for carrying out a quick optimization design of the treadmill.

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Adsorption of an O Atom on Cu (510) Step defective Surface

Gong Gong, Fenghui Tian, Rong Wu, Zexin Wang

Abstract: Using the five-parameter Morse potential (5-MP for short) of interaction between an adatom and metal surface cluster, the adsorption of an O atom on Cu (510) surface was studied. The data of adsorption sites, adsorption geometry, binding energy and eigenvibration, etc., for an O atom adsorbed on the Cu (510) surface are gained, and agree well with the literature results. An interesting competition between high coordinated adsorption sites is observed and the literature argument for that there are two types of adsorption sites for an O atom on the Cu (510) surface are confirmed in our calculation.

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