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China 2School of Chemistry and Chemical Engineering, Xi'an University of Arts and Science, Xi’an 710065, Shaanxi Province, P.R.
Our results show that the endohedrally Au-doped cagelike structures are energetically preferred.
The structure of pentagonal prism is similar to that in FeGe10 cluster [2].
Electronic Structures and Density of States.
The vibrational difference may be caused by the unusual structures with respective symmetry, i.e.

Chuiko Institute of Surface Chemistry, 17 Generala Naumova Str., 03164, Kiev, Ukraine 3Kiev National Taras Shevchenko University, Physics Department, 2 Acad.
structure А structure B Fig. 1.
In particular, the absence of the Si-Ge peak near 400 cm–1 for the structure B with Ge nanoislands grown on SiOx layer reflects their disordered structure.
In structure A the lateral photocurrent is observed during photoexcitation of structures with quanta with energy hv > 0.8 eV.
Hofer, in: Nanomaterials and Supramolecular Structures – Physics, Chemistry and Applications, ed. by A.P.

Introduction Considering the importance of groundwater and its quality degradation due to urbanization and increasing pollution, many researchers have discussed the groundwater chemistry and its human health risk assessment across the globe [1, 2].
This basin has several aquifers with various capacities due to their lithological constitution, geological structure and operating facilities.
Graphical representations, based on the ion content, show the classification of water chemistry data.
Effects of salts on soils causing changes in soil structure, permeability and aeration indirectly affect plant growth [22].
Groundwater chemistry and groundwater quality index incorporating health risk weighting in Dingbian county, Ordos basin of Northwest China.

Three-Dimensional Topological Insulators: The case of inverse Heusler compound Lu2FePb Ning Ding1, Xifeng Liu3, Xiaotian Wang2, a, Wen Yuan3 1School of Physics, Northeast Normal University, Changchun 130024, China 2School of Material Sciences and Engineering, Hebei University Technology, Tianjin 300130, China 3Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States awangxt45@gmail.com Key words: Topological insulator, Heusler compound, Electronic structure Abstract.
Our results showed that the novel three-dimensional (3D) TIs Lu2FePb exhibit an inverted band structure.
Results and discussions The crystal structures of inverse Heusler were shown in Fig. 1.
Our results indicated that Lu2FePb exhibits an inverted band structure under scalar-relativistic calculation, which is an important reflection of topological insulators in electronic structure.
[4] Moore J E, Balents L: Topological invariants of time-reversal invariant band structures, Phys.

C7H12O+ structure shown in figure 2.
In the B3LYP/6-31 + G (d, p) level, all possible fragments generated by the GaussView3.07 the initial structure and internal coordinates, the structure of C3H4O+ fragments optimization and frequency calculation.
Comparison can be seen from the table, the lowest energy structure is the path formed by the debris C, so C3H4O+ fragmentation path to a stable structure as shown in the ring structure C.
The structure of C3H4O+ is as follows.
The basic principles of quantum chemistry and ab initio calculation [M].Beijing: Science press, 1985 [3] Lubman D M, Naaman R, Zare R N.

Influences of Duty Ratio on Structure and Corrosion Resistance of Ceramic Coatings on Ti-6Al-4V by Micro-plasma Oxidation Hongqi Ben1, Zhongping Yao2* and Zhaohua Jiang2 1 Dept. of Electrical Engineering, Harbin Institute of Technology, Harbin 150001, China 2 Dept. of Applied Chemistry, Harbin Institute of Technology, Harbin 150001, China Keywords: Micro-plasma oxidation; ceramic coatings; corrosion resistance; Ti-6Al-4V Abstract.
Its influences on structure and corrosion resistance of ceramic coatings on Ti-6Al-4V by pulsed bi-polar MPO in NaAlO2 solution were investigated.
The effects of the modes of the electrical source, the current density and the frequency on the structure and properties of the ceramic coatings on different substrates were investigated by many research groups [5-7].
Therefore, we prepared the ceramic coatings on Ti-6Al-4Valloy by pulsed bi-polar MPO in NaAlO2 solution, and discussed the influences of duty ratio for both pulses on phase composition, structure and corrosion resistance of the ceramic coatings.
(D1: anode duty ratio; D2: cathode duty ratio) Phase composition and structure.

Corrosion Behavior of Q235 Steel in Industrial Atmosphere of Tangshan City WU Baocai1,2, a and LIU Chunming1 , b 1 School of Materials and Metallurgy, Northeastern University, Shengyang, China 2 Tangshan Jianlong Industrial , Tangsan, Hebei, China aemail:wubaocai@ejianlong.com, bemail:liucm@smm.neu.edu.com Keywords: Plain carbon steel Q235; atmosphere corrosion; rusty layer structure Abstract.
In the present study, plain carbon steel Q235 was used as experimental material, which the base chemistry is C: 0.16, Si: 0.21 Mn：0.44，S：0.025，P：0.012 mass %.
It indicates that, with increasing of exposure time, the thickness of surface rusty layer of Q235 increases obviously and flake structure change gradually for needle clumps morphology

A damage model for the PPC structure was developed to define the debonding damage behavior of the structure.
If the damage effect is neglected in the design process of the PPC structure, the structure may fail earlier at an unexpected strength.
However, for analysis of the PPC structure, micro-damage state in the PPC structure cannot be directly simulated with the meso-scale representative unit cell model.
Moreover, it is impractical to built a finite element model for a structure containing a thousand of particles.
Suppose that there is a PPC structure which is a cylindrical component with a circular notch as shown in Fig.2(a).

The surface chemistry, mechanical strength and degree of swelling of the PGS scaffolds were also assessed by X-ray photoelectron spectroscopy (XPS), dynamic mechanical analysis (DMA) and swelling measurement, respectively.
Particle-leaching methodology yields well controlled porous polymeric scaffolds with high density of interconnected pore structure [4].
Not only desirable porous structure but also proper surface properties of scaffolds directly enhance the cell adhesion, growth and proliferation on the scaffolds.
The surface morphology and pore structure of all scaffolds were investigated using SEM (Hitachi S-3400N).
The SEM results showed higher porosity and more interconnected pore structure in the PGS scaffolds prepared from 80-90% of NaCl particles.

Alumina and Zirconia laminar Coating Prepared by Complex Electrolytic Deposition Method Deren Wang Institute of Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China dr_wang@ustb.edu.cn Keywords: Thick ceramic coating, Laminate structure, Nano-powder, Sol-Gel, Electrolytic deposition (ELD), Electrophoretic deposition (EPD), Sintering Abstract.
The surface and cross-sectional morphologies of two layers and ten layers alumina/ zirconia composite ceramic coating after sintering showed that the laminar structure thickness could be tailored by controlling the deposition voltage and dwell time.
Introduction Both Sol-Gel and electrolytic deposition (ELD) possess the capacity to fabricate nano-structure materials including monolayer and nano-modulated films as well as powders.
The flat shape layer structure was attributed to the high area ratio of plate anode to cathode.
Materials Chemistry and Physics, 2000. 63(3): p. 256-262