Advanced Material Science and Engineering (AMSE2016)

The following sections are included:

• PREFACE
• COMMITTEE OF AMSE2016
• Keynote speaker
• General Chair
• Table of Content

Within the framework of the presented paper, the research experiments were conducted on the preparation and characterization of polymer thin films containing carbon nanotubes, graphene derivatives and hybrid systems of both CNTs/graphene derivatives, in which condensation polymers constituted the matrix. The use of in situ synthesis allowed to obtain nanocomposites with a high degree of homogeneity, which is a key issue for further industrial applications, while the analysis of the physical properties of the obtained materials showed effect of the addition of carbon nanotubes and graphene derivatives on their structure, barrier properties and thermal and electrical conductivity.

The anodization with different cathodes (i.e., point cathode, linear cathode or planar cathodes with different areas) was performed to determine the effect of the cathode area on TiO₂ nanotube (TiNT) yield. Results show that proper planar cathode, but not point or linear cathode, is necessary for the production of TiNT, and 8:3 (S_(-)/S₍₊₎) is regarded as the optimal electrode area ratio. The anodization with three electrodes would help to further enhance the unit yield. And the unit yield by one cathode and two anodes is higher than that by two cathodes and one anode, but the product of the latter featured with more uniform structure. Our work would help in guiding the further exploration of high yield TiNT.

Oxygen reduction and evolution reactions are important and major challenges to Li-air batteries. In this report, a three-dimensional (3D) bifunctional electrocatalyst was prepared by embedding Co₃O₄ nanoparticles into nitrogen-doped carbon nanofibers (denoted as Co₃O₄-NCNF) by a facile method. The Co₃O₄-NCNF possesses a high specific surface area(403.5 m²/g) and porous structure. The Co₃O₄-NCNF exhibits an excellent catalytic activity and long-time durability for both oxygen reduction and evolution reactions in alkaline solutions.

In this work, the influence of different carbon nanofillers such as carbon black (CB), multiwalled carbon nanotubes (MWCNTs) and graphene nanoplates (GnPs) on the microstructure and electrical properties of epoxy/polyetherimide composites was investigated. Optical microscopy was used to study the distribution of different fillers. The results show that the conducting networks are formed well in CB and MWCNTs filled composites with a filler loading of 1.0 wt%, while still show defective in GnPs filled composites. The final performance of composites results from the comprehensive effects of the geometry and dispersion of conductive fillers. Percolation thresholds of composites containing MWCNTs, CB and GnPs are around 0.5 wt%, 0.75 wt% and 1.5 wt%, respectively. The composite containing CB presents optimal electrical properties.

The electrochromic properties of an electrochemical polymerized composite consisted of polyaniline doped with acid red dye (PANI-ARD) are reported. The structures of PANIARD were characterized via cycle voltammograms, spectroelectrochemistry and colorimetric analysis. Film of the PANI-ARD composites of different concentrations appears violet, aubergine in the neutral state and darkblue in the oxidized state, which are different from the pure PANI of yellow (-0.8V) and blue (1.0V). The oxidation and reduction response speed of PANI-ARD was a bit lower than those obtained in pure PANI. It is shown that acid dye doping is an effective method to broaden the color change range of the electrochromicmateials.

In this article, the enhanced radiation crosslinking of polyurethane via double-bond capping method were discussed in detail. Meanwhile, the Enhanced radiation crosslinking of polyurethane based on polyimide as hard segment were emphasized. In addition, the preparation of radiation crosslinking foam by introducing terminal double-bond were introduced.

High molecular weight poly (dimethylsiloxane-co-diethylsiloxane) (PMES) copolymer was synthesized by anionic ring opening polymerization. Its composition and structures was determined by ²⁹Si NMR spectroscopy. A random microstructure of copolymer was observed in the ²⁹Si NMR spectrum. Further, PMES was characterized by GPC and DSC. The results show that PMES is crystallization-free copolymer with low glass transition temperatures.

A series of supramolecular liquid crystals, named mOOBA-HOBA (m, which is the molar ratio of OOBA to HOBA) were successfully synthesized via mixing different molar ratio of 4-Octyldecyloxybenzoic acid (OOBA) and 4-hexadecyloxy benzoic acid (HOBA). The chemical and phase structures were investigated by the combination of techniques, including FT-IR, DSC, X-ray and POM. The experimental results revealed that the LC phase structures of the original symmetrical dimmers in OOBA and HOBA were both dissociated while a new asymmetrical dimmer was formed between OOBA with HOBA through hydrogen bonding in the binary mixture. DSC results show that the phase transition for entering into LC phase shifts to lower temperature, and the nematic-isotropic phase transition also shifts to lower temperature. These different phase transition behaviors should be ascribed to the asymmetrical dimmers between OOBA with HOBA. POM demonstrated that these OOBA-HOBA binary mixtures tend to show a lower liquid crystalline phase temperature and broad temperature range.

To comparatively study the insulation ageing life of vegetable insulating oil-paperboard and mineral oil-paperboard, we conducted accelerated thermal ageing experiments at 170°C. Then according to the temperature rise of vegetable insulating oil transformer, we conducted accelerated thermal ageing experiments at 150°C for vegetable insulating oil-paperboard and at 140°C for mineral oil-paperboard. The appearance, polymerization degree, and SEM microstructure of the paperboard after different ageing experiments were comparative analyzed. The results show that after the oil-paperboard system is accelerated ageing for 1 000 h at 170°C, that is equivalent to 20 years natural ageing, the structure of paperboard in vegetable insulating oil is damaged severely, which indicates that the lifetime of transformer are in the late stage; while the structure of paperboard in mineral oil maintain complete, and the polymerization degree is still above 500, which indicate that the lifetime of transformer are in the middle stage. The accelerated ageing rate of the vegetable insulating oil-paperboard system at 150°C is slower than that of the mineral oil-paperboard system, which indicates that the lifetime of the vegetable insulating oil-paperboard is longer than that of the mineral oil-paperboard.

Effect of different flame retardant (FR) and curing agent on the epoxy resin was investigated by limiting oxygen index (LOI), mechanical properties and FTIR. The results show that flame retardant effect of PODOPP is better than PSDPP. The curing agent order is: m-phenylenediamine>ethanediamine> polyethylene polyamine. The effect of flame retardant behaviors better when synergist OMMT was added.

In this paper, a bi-functional non-ionic reactive emulsifier was synthesized and used in emulsion polymerization to prepare polymer nano-particles with cross-linked shell. The effects of the bi-functional non-ionic reactive emulsifier on the emulsion polymerization were studied. The size and the size distribution of the polymer particles were characterized with transmission electron microscope. The result showed that the presence of the bi-functional emulsifier facilitates the uniformity and stability of the polymer emulsion. The average size of the prepared particle is 30 nm in diameter.

Vegetable insulating oil because of its environmental friendliness are considered as ideal material instead of mineral oil used for the insulation and the cooling of the transformer. The main steps of traditional refining process included alkali refining, bleaching and distillation. This kind of refining process used in small doses of insulating oil refining can get satisfactory effect, but can't be applied to the large capacity reaction kettle. This paper using rapeseed oil as crude oil, and the refining process has been optimized for large capacity reaction kettle. The optimized refining process increases the acid degumming process. The alkali compound adds the sodium silicate composition in the alkali refining process, and the ratio of each component is optimized. Add the amount of activated clay and activated carbon according to 10:1 proportion in the de-colorization process, which can effectively reduce the oil acid value and dielectric loss. Using vacuum pumping gas instead of distillation process can further reduce the acid value. Compared some part of the performance parameters of refined oil products with mineral insulating oil, the dielectric loss of vegetable insulating oil is still high and some measures are needed to take to further optimize in the future.

Palm fiber mattress is increasingly accepted by many families. This study aims at evaluating the mechanical properties of palm fiber mattress. Two experiments were conduct to investigate the Young's modulus of palm fiber mattress in three directions. In addition, finite element models were established to characterize palm fiber mattress under uniform distributed pressure. Finally, results from finite element analysis are presented to illustrate that the thick mattress will stick with human body curve perfectly, which can support vertebral column effectively.

Real-time classification of biological cells according to their 3D morphology is highly desired in a flow cytometer setting. Gray level co-occurrence matrix (GLCM) algorithm has been developed to extract feature parameters from measured diffraction images ,which are too complicated to coordinate with the real-time system for a large amount of calculation. An optimization of GLCM algorithm is provided based on correlation analysis of GLCM parameters. The results of GLCM analysis and subsequent classification demonstrate optimized method can lower the time complexity significantly without loss of classification accuracy.

A series of new benzotriazole-containing low band gap polymers were synthesized by replacing conjugated electron-donating units, carbazole, fluorene, and benzodithiophene. UV spectra of PBTZCZ, PBTZFL, and PBTZSP in chloroform solution show absorption bands around 501, 504, and 537 nm, respectively. The results indicate that their bandgaps as well as their molecular energy levels are readily tuned by copolymerizing with different electron-donating units. Thermal stability of the polymers was investigated with thermogravimetric analysis (TGA). The TGA analysis revealed that the onset points of the weight loss with 5% weight-loss temperature (T_d) of PBTZCZ, PBTZFL, and PBTZSP were 417, 429, 337°C. Bulk-heterojunction solar cells comprising these polymers and PC₆₀BM gave a power conversion efficiency of 2 ~ 3%.

Building Integrated Photovoltaic (BIPV) is a resort to save energy and reduce heat gain of buildings, utilize new and renewable energy, solve environment problems and alleviate electricity shortage in large cities. The area needed to generate power makes facade integrated photovoltaic panel a superb choice, especially in high-rise buildings. Numerous scholars have hitherto explored Building Facade Integrated Photovoltaic, however, focusing mainly on thermal performance, which fails to ensure seismic safety of high-rise buildings integrated photovoltaic. Based on connecting forms of the glass curtain wall, a connector jointing photovoltaic panel and facade was designed, which underwent loading position and size optimization. Static loading scenarios were conducted to test and verify the connector's mechanical properties under gravity and wind loading by means of HyperWorks. Compared to the unoptimized design, the optimized one saved material and managed to reduce maximum deflection by 74.64%.

Rural Power Grid Distribution Substation (RPGDS) in long-term operation process, often due to thermal power of the high voltage unit is very big, which leads to serious local heat. In order to ensure the stability, security and reliability, it is necessary to measure and detect for some specific electrical joints of RPGDS. This paper presents a novel diagnosis method based on infrared thermal imaging technology for the specific electrical joints, the method obtains the original infrared thermal image firstly, then carries out following steps as: preprocessing, noise filtering, image enhancement, and extract image edge line, finally, analyzes the results of infrared thermal image data processing. This novel method not only overcomes the shortcomings of traditional contact measurement methods, but can realize fault diagnose more accurately for the electrical joints.

Considering some disadvantages existing in traditional infrared radiation heating, a new windshield microwave heating method is presented in this paper, and the new method is simulated and parameter-optimized by numerical simulation. The volume loss density of electromagnetic wave propagating in a medium was applied to nodes as heat generation rate, and the full-size microwave scanning heating to whole surface of windshield was achieved by APDL command. Then the effects of scanning interval and scanning speed on temperature uniformity and heating efficiency were studied. The optimal parameters of microwave scanning heating are obtained and the new windshield microwave heating method is optimized, which contribute to improving windshield heating in the actual production.

Effective heating method is one of the critical technologies to influence the quality of tempered glass. The three dimensional thermal-structural tempering of glass has been simulated by using ANSYS software. The temperature and stress distribution of tempered glass using microwave heating method has been compared with distribution using traditional infrared radiation heating method. Considering the efficiency and effect of heating, and the routine of increasing heat transfer coefficient to enhance strength of tempered glass in practical, a more effective heating method –microwave heating has been introduced.

The oil film bearing in rolling mill as the research object in this paper is established oilwater two-phase flow of thermal elastohydrodynamic lubrication (EHL) model with the inertia force and thermal effect of the Reynolds equation. The oil film bearing in rolling mill in oil-water two-phase flow is analyzed the effect on the pyrolysis with considering inertia force, and the lubricant film pressure, film thickness with the changes in the relationship between water content, rolling force and spindle speed. The results showed that the lubricant film thickness is increased and carrying capacity is also increased with considering inertial force. With the increase of water content, lubricant film thickness is increased and the carrying capacity is decreased.

Considering the effects of first-order shear deformation theory (FSDT) and stress wave, the dynamic buckling governing equations of cylindrical shells under axial step load are derived. Based on the Ritz method and Variable Separation method, the analytical solution of the critical load on the dynamic buckling can be obtained. The influences of first-order shear deformation effect, boundary conditions, the number of circumferential waves, etc. on dynamic buckling load are discussed by using MATLAB software and the results show that dynamic buckling of cylindrical shells occuresmore easily when considering shear effect.

Considering first order shear deformation theory, the dynamic buckling governing equations of elastic bar with initial imperfections, transverse inertia and axial inertia are derived by Hamilton principle. The equations are converted into the form of non-dimension. Based on the finite difference method, the equations are solved approximately. The buckling mode of elastic bar under different axial impact velocities has been obtained. The influence of different axial impact velocity on the dynamic buckling of elastic bar is discussed.

The computational model of heat conduction is deduced for external insulation system of the exterior wall by the variable controlling method. In the method, the thermophysical parameter is constant. The external insulation systems of EPS, XPS, PUR, and PF are analyzed with this model. The weaken state is computed after the external insulation systems have been constructed for several years. The study results show that the insulation ability of deferent systems are all weakened with increase of the service time. The weaken amplitudes are all more than 8%. And it is as more as 18.6% in the XPS system, which is 8% more than EPS system. There are many cracks in the anti-crack mortar. So, it is the key factor for the weaken behavior in XPS system.

The design is a new kind of cars used for loading goods when you upstairs. The cars — ones are very safe and convenient —consist of body, chassis, bottom, round, object, stage, upstairs, train wheels, handles, storage tank, security fence etc. The design, composed of combination of each structure, achieves the purpose of loading goods and even some large potted plants when you go upstairs or downstairs very flatly.

Expansion bolt is a kind of the most common things in our daily life. Currently, there are many kinds of expansion bolts in the market. However, they have some shortcomings that mainly contain underuse and unremovement but our innovation of design makes up for these shortcomings very well. Principle of working follows this: expansion tube is fixed outside of bolt, steel balls and expansion covers are fixed inside. Meanwhile, the steel balls have 120° with each other. When using it ,expansion cover is moved in the direction of its internal part. So the front part of expansion bolt cover is increasingly becoming big and steel halls is moved outside. Only in this way can it be fixed that steel balls make expansion tube expand. When removing them, expansion bolt is moved outside. So the front part of expansion bolt cover is gradually becoming small and steel balls moves inside, after expansion tube shrinks, we can detach them.

The reconstruction engineering which reconstructs the hot water pipeline from a power station to a heat exchange station requires the new hot water pipeline combine with old pipe racks. Taking the allowable span calculated based on GB50316 and the design philosophy of the pipeline supports into account, determine the types and locations of brackets. By analyzing the stresses of the pipeline in AutoPIPE, adjusting the supports at dangerous segments, recalculating in AutoPIPE, at last determine the types, locations and numbers of supports reasonably. Then the overall pipeline system will satisfy the requirement of the ASME B31.3.

The anti-lock braking system (ABS) used in automobiles is used to prevent wheel from lockup and to maintain the steering ability and stability. The sliding mode controller is able to control nonlinear system steadily. In this research, a one-wheel dynamic model with ABS control is built up using model-based method. Using the sliding model controller, the simulation results by using Matlab/Simulink show qualified data compared with optimal slip rate. By using this method, the ABS brake efficiency is improved efficiently.

Sulfate method for producing titanium dioxide is commonly used in China, but the determination of crystallization time is artificially which leads to a big error and is harmful to the operators. In this paper a new method for determining crystallization time is proposed. The method adopts the red laser as the light source, uses the silicon photocell as reflection light receiving component, using optical fiber as the light transmission element, differential algorithm is adopted in the software to realize the determination of the crystallizing time. The experimental results show that the method can realize the determination of crystallization point automatically and accurately, can replace manual labor and protect the health of workers, can be applied to practice completely.

The cold tandem rolling of metal strip presents a significant control challenge because of nonlinearities and process complexities. And reducing edge drop of cold rolling strips and meeting uniform thickness will be a new tough shape theories and technologies. In this paper, the existing edge drop control are analyzed and optimized. The simulation results and practical data show that the optimized control system can effectively control the edge drop.

Recycled Aggregate Concrete (RAC) was prepared with different recycled aggregate replacement ratio, 0, 30%, 70% and 100% respectively. The performances of RAC were examined by the freeze-thaw cycle, carbonization and sulfate attack to assess the durability. Results show that test sequence has different effects on the durability of RAC; the durability is poorer when carbonation experiment was carried out firstly, and then other experiment was carried out again; the durability is better when recycled aggregate replacement ratio is 70%.

Direct reduction of copper tailings were performed to recover iron efficiently by carbon-containing pellets, and the metallization rate was gained by chemical analysis method. The results showed that the metallization rate of copper tailings was up to 85.32% and the best reduction parameters are also found. Content of precious metals, such as, gold, silver in copper tailings can be enriched by 1.8~1.9 times through removing iron. The apparent activation energy of direct reduction of iron oxide in copper tailings is calculated to be 125.4 kJ/mol and the restrictive factor of reduction process is solid diffusion.

This paper mainly discuss the wireless power transfer system based on class-E amplifier. Firstly, the system coupling model was established and the working principle and parameter design of class-E amplifier was analyzed in detail. Then proposed a method of high frequency driver design using high frequency power transistor push-pull mode. On this basis, we successfully designed and built the wireless power transfer system. The maximum transmission power is 15W and the transmission distance is 20cm. The method of class-E amplifier is verified in wireless power transfer system.

The flatness and edge drop is a strong-coupled multivariable control system, so realizing the decoupling control of them is one of the most important issues to achieve the highprecision control. In this paper, the modelling of system and decoupling control method of flatness and edge drop are analyzed. Simulation results represent that the flatness and edge drop control is decoupled to improve the control performance of flatness and edge drop.

The thermally-induced deformation of flexible space structures could be suppressed by controlling the temperature difference on certain cross-sections of these kinds of thinwalled structures. For this purpose, one must optimize the applied heat flux to control the temperature difference and deformation of thin-walled structures. This optimize procedure could be very time consuming, because the radiation analysis has to be conducted in each iteration step. However, this problem can be greatly remedied with the help of the Fourier temperature finite element, which has been proposed in our early work. Based on this element, this paper develops a heat flux optimize method to control the thermally-induced deformation of thin-walled structures. A numerical example demonstrates the validity and efficiency of the proposed method.

A new series of chiral two-arm dopant containg active group were first synthesized. Four precursors of C1~C4 were obtained at first and then were esterized separately with isosorbide and got four two-arm liquid crystals (MC1~MC4). The chemical structures and LC properties of the liquid crystalline molecule were measured by spectrum and thermal analysis techniques. XRD curves of MC1~MC4 samples only showed broad peaks at wide-angle, no sharp peak was seen for all the samples. The results showed that MC1~MC4 appeared cholesteric phase with oily streak texture or lined texture and finger print texture. Cholesteric phase was successfully induced by isosorbide. The different active group of two arm liquid crystal and chiral core had effects on their liquid crystalline properties.

The problem of overheating is the main factor to limit the serviceable range of permanent magnet governor, in order to find out the reason of overheating and its influencing factors, the numerical simulation of the cylindrical permanent magnet governor is carried out by using the computational fluid dynamics method. Results show that the internal high temperature fluid in the rotor of the Permanent magnet governor cannot flow is the main factor causing the overheating of the permanent magnet governor, opened air convection holes, and equipped with cooling fins in conductor rotor and permanent magnet rotor's outer circumference direction of the permanent magnet governor. The results of the study show that the internal air flow of the optimized permanent magnet governor is effective and the air flow rate is increased, the heat transfer effect is enhanced, the maximum temperature of the permanent magnet governor is decreased from 120.2 to 72.6, so the cooling effect is obvious.

The fulgimides, which are derivatives of fulgides, compared to their precursor fulgides, not only exhibit excellent photochromic properties, but they are also chemically more stable to acid or base-catalyzed hydrolysis. With 1,3-dimethylindole-2-carbaldehyde and isopropylidene diethyl succinate as the starting materials, N-hydroxypropyl-2-indolylfulgimide was synthesized through four steps. The E isomers of the fulgimide was characterized by ¹H NMR, ¹³C NMR and HRMS spectrometry. UV-visible absorption spectra of the two isomers in solvents showed the different wavelength of maximum absorption, and displayed reversible photochromic properties in aprotic solvent.

Raman and photoluminescence spectroscopy have been performed to investigate optical properties of surface and bulk damage sites of fused silica induced by intense nanosecond pulse. Results show that enhanced Raman signal and slight frequency shift are observed in both surface and bulk damage sites. Moreover, broad and fast PL peak centered at 666.7 nm has been observed only for bulk damage site. Mechanisms for these phenomenon are discussed in terms of central force network model and high density of defects. Our results are helpful to understand the damage mechanism and control parameter for applications like laser microfabrication.

This paper designed and synthesized a new organic semiconductor material perylene diimide (PDI) derivative which taped into perylene tetracarboxylic anhydride as the starting material. The molecule belongs to the first synthesis which can enrich the varieties of PDI derivatives. And it can expectedly be used as one candidate of organic semiconductor materials. The structure of the target molecule was confirmed by ¹HNMR, ¹³CNMR and HRMS.

For the high insulating oil, it is difficult to measure the conductivity precisely using voltammetry method. A high-precision measurementis proposed for measuring bulk electrical conductivity of high insulating oils (about 10^-9—10^-15S/m) using charge decay. The oil is insulated and charged firstly, and then grounded fully. During the experimental procedure, charge decay is observed to show an exponential law according to “Ohm” theory. The data of time dependence of charge density is automatically recorded using an ADAS and a computer. Relaxation time constant is fitted from the data using Gnuplot software. The electrical conductivity is calculated using relaxation time constant and dielectric permittivity. Charge density is substituted by electric potential, considering charge density is difficult to measure. The conductivity of five kinds of oils is measured. Using this method, the conductivity of diesel oil is easily measured to beas low as 0.961 pS/m, as shown in Fig. 5.

Considering the effects of shear deformation and stress wave, the dynamic buckling governing equations of rectangular plates under axial step load are established. Based on the Rayleigh-Ritz method, the expression of the critical load is got. The relation curve between the critical load and critical length is described by using MATLAB software. In this paper, the influences of thickness, first-order shear deformation (FSD), and the number of modes are discussed.

Radar detection is a kind of novel life detection technology, which can be applied to medical monitoring, anti-terrorism and disaster relief street fighting, etc. As the radar life signal is very weak, it is often submerged in the noise. Because of non-stationary and randomness of these clutter signals, it is necessary to denoise efficiently before extracting and separating the useful signal. This paper improves the radar life signal's theoretical model of the continuous wave, does de-noising processing by introducing lifting wavelet transform and determine the best threshold function through comparing the de-noising effects of different threshold functions. The result indicates that both SNR and MSE of the signal are better than the traditional ones by introducing lifting wave transform and using a new improved soft threshold function de-noising method..

According to the tube process conditions of a TA10 heat exchanger, which is working in a chemical plant, the paper analyzes the possible factors of corrosion, identify the main influencing factors of the corrosion failure of heat exchanger were temperature, pH value, and the concentration of Aluminum Chloride Hexahydrate. Using the orthogonal test and electrochemical noise measurement technique to study the influence of three factors on TA10 alloy. The results show that the TA10 alloy has no obvious corrosion in the range of experimental study. The result of the range analysis determines the temperature and pH value are the main factors influencing the noise resistance R_n, the value of the noise resistance R_n increases with the rise of the temperature. When the temperature is 90□, the pH value is 2, the noise resistance R_n of the TA10 alloy specimen is largest.

Composite stiffened-structure consists of the skin and stringer has been widely used in aircraft fuselage and wings. The main purpose of the article is to detect the composite material reinforced structure accurately and explore the relationship between defect formation and structural elements or curing process. Based on ultrasonic phased array inspection technology, the regularity of defects in the manufacture of composite materials are obtained, the correlation model between actual defects and nondestructive testing are established. The article find that the forming quality of deltoid area in T-stiffened structure is obviously improved by pre-curing, the defects of hat-stiffened structure are affected by the mandrel. The results show that the ultrasonic phased array inspection technology can be an effectively way for the detection of composite stiffened-structures, which become an important means to control the defects of composite and improve the quality of the product.

A three-dimensional mathematical transient heat transfer model for the prediction of temperature distribution within the slab has been developed by considering the thermal radiation in the walking-beam-type reheating furnace chamber. The steel slabs are heated up through the non-firing, preheating, 1st-heating, 2nd-heating, and soaking zones in the furnace, respectively, where the furnace wall temperature is function of time. Comparison with the in-situ experimental data from Steel Company in Taiwan shows that the present heat transfer model works well for the prediction of thermal behavior of the slab in the reheating furnace. The effects of different skid button height (H=60mm, 90mm, and 120mm) and different gap distance between two slabs (S=50mm, 75mm, and 100mm) on the slab skid mark formation and temperature profiles are investigated. It is found that the skid mark severity decreases with an increase in the skid button height. The effect of gap distance is important only for the slab edge planes, while it is insignificant for the slab central planes.

Through the Split Hopkinson Pressure Bar (SHPB) test and the quasi-static tensile test on non-standard specimen of titanium alloy Ti-6Al-4V, the rules of the mechanical property changing with the specimen size under different temperatures are summarized, and the parameters of the classical constitutive Johnson-Cook (JC) model are determined. Based on the dislocation pile-up theory, the classical constitutive JC model is modified by considering the influence of grain size, and the modified JC model is established by adding a functional term Δσ into the classical constitutive model to describe the influence of the grain. The tensile testis analyzed by the finite element method (FEM) simulation. Comparing with the experimental results, the simulation results based on the modified JC model show much better accuracy than that by the classical JC model.

To find the optimum design of ply orientation for composite material structure, we proposed a method based on genetic algorithm and executed on a composite frame case. Firstly we gave the descriptions of the structure including solid model and mechanical property of the material and then created the finite element model of composite frame and set a static load step to get the displacement of cared node. Then we created the optimization mathematical model and used genetic algorithm to find the global optimal solution of the optimization problem, and finally achieved the best layer angle of the composite material case. The ply orientation optimum design made a good performance as the results showed that the objective function dropped by 16.6%. This case can might provide a reference for ply orientation optimum design of similar composite structure.

In this study, to study the rheology characteristic of polymer melt in the micro-channel, the apparent viscosity, entrance pressure and shear stress under the same shear rate were analyzed by mean of CFD numerical simulation method. The Phan-Thien and Tanner (PTT) viscoelastic model was used as the constructive equation of polymer melt. To verify the change situation of apparent viscosity and entrance pressure in the flow of channel, two sets of channels with different diameters and ratios of length-to-diameter were compared with each other. The research results verified that the entrance pressure increase and apparent viscosity decrease with decreasing of diameter of channel, which is in good agreement with the results of past reported.

An efficient method for modelling the hysteresis properties of a ferrite orthogonal core controllable reactor (FOC-CR) under dc-biased conditions is proposed. The magnetisation state of an FOC-CR can be adjusted and controlled by a dc-bias coil. However, the ac magnetic intensity under dc-biased conditions cannot be measured directly in the experiment. Thus, a simulation method is proposed to calculate the ac magnetic intensity within the iron core. The calculation program is developed using the commercial software ANSOFT. Based on the magnetic field distribution, the total length of the equivalent magnetic circuit is calculated using a linear fitting method. Finally, the ac magnetisation curves of the FOC-CR under dc-biased magnetisation are obtained. Thus, the experimental results confirm the validity of the magnetic circuit model. This model is needed for analysis of the ac magnetic field under dc-biased conditions and for the electromagnetic design of products.

Marcus theory and KT-ESD approach have been carried out on 2,3,6,7,10,11-hexabutyloxytriphenylene (HAT4) and 2,3,6,7,10,11-hexapentyloxy-triphenylene (HAT5) to investigate charge transport. Charge carrier mobility depended on reorganization energy and transfer integral, which was researched in a system of two stacked molecules with the fixed three geometrical parameters: intermolecular distance, twist angle and lateral slide. A method to compute the transfer integral by changing the lateral slide from 0 Å to 5 Å in dimer was presented. Computational electron and hole mobilities with the fixed intermolecular distance, twist angle and lateral slide were in good agreement with experimental results.

Using the DPM model in Fluent, the CFD simulation software, simulation study for pipe wall erosion from particle was performed in different sudden contraction diameter ratio. The results of Numerical simulations show that: Any diameter ratio, the maximum erosion rate was on the step. The lower diameter ratio, the more serious erosion in inlet and outlet section, the less the maximum erosion difference with step; The higher diameter ratio, the more weak erosion in inlet and outlet section, the bigger the maximum erosion difference with step; With the increasing of the diameter ratio, the maximum erosion rate declined sharply at first, and almost stabilize greater than 50/20.

We use the finite element software ANSYS to verify the explosion experiment about whether the projectile shell contains brittle zone, and the brittle with different width and depth to improve the fragmentation rate and lethality of shell material about 58SiMn. The simulation results show that the shell with a brittle zone is more explosive than with out's; Within the allowable range, the bigger width of the brittle zone, the more uniform broken shell, the greater the projectile damage; the deeper depth of the brittle zone, the more easily the shell be broken, and fragment size close, the greater the projectile damage.

Density functional theory (DFT) calculations have been used to explore the adsorption of CO₂ on MoO-end Bi₂MoO₆ (010) surfaces with the oxygen vacancy. Compared to the perfect MoO-end surface, the adsorption energies of CO₂ are larger on the oxygen vacancy surface, indicating a relatively stronger interaction between CO₂ molecule and the oxygen vacancy surface. Our results revealed that the oxygen vacancy is important to enhance the CO₂ adsorption on the MoO-end Bi₂MoO₆ (010) surface for photocatalytic conversion.

Molecule dynamics (MD) simulation, a molecular-level method, was applied to predict the damping properties of AO-60/polyacrylate rubber (AO-60/ACM) composites before experimental measures were performed. MD simulation results revealed that two types of hydrogen bond, namely, type A (AO-60) –OH•••O=C- (ACM), type B (AO-60) – OH•••O=C- (AO-60) were formed. Then, the AO-60/ACM composites were fabricated and tested to verify the accuracy of the MD simulation through dynamic mechanical thermal analysis (DMTA). DMTA results showed that the introduction of AO-60 could remarkably improve the damping properties of the composites, including the increase of glass transition temperature (T_g) alongside with the loss factor (tan δ), also indicating the AO-60/ACM(98/100) had the best damping performance amongst the composites which verified by the experimental.

A molecular dynamics simulation was conducted with the aid of Materials Studio (MS6.0) software platform at different temperature conditions to study the diffusion processes of oxygen gas molecules in the 32% EVOH membrane. The mean square displacement, radial distribution function and free volume at different temperature in 32% EVOH membrane are obtained, respectively. Results showed that the diffusion coefficient of oxygen, radial distribution function of –OH on the molecular chain in 32% EVOH membrane and free volume of cell in 32% EVOH membrane increased with the increase of temperature.

The dust particles on solar panel surface have been a serious problem for the photovoltaic industry, a new monorail-tracked robot used for automatic cleaning of solar panel is presented in this paper. To meet the requirement of comprehensive and stable cleaning of PV array, the monorail-tracked pattern of robot is introduced based on the monorail structure technique. The running and striding mechanism are designed for mobility of robot on the solar panels. According to the carrying capacity and water circulation mechanism, a type of self-cleaning device with filtering system is developed. Combined with the computer software and communications technology, the control system is built in this robot, which can realize the functions of autonomous operation, positioning and monitoring. The application of this developed cleaning robot can actualize the Industrialization of automatic cleaning for PV components and have wide market prospect.

In the Ti-C-BN system, Ti(C, N)-TiB₂ cermets were synthesized by the self-propagating high-temperature synthesis (SHS). Experimental results showed that there existed annular phases in the ultra-fine Ti(C, N)-TiB₂ cermets. Compared with Ti(C, N) cermets, the relative density of Ti(C, N)-TiB₂ cermets decreased to 92.6%, but the hardness increased to 87.3HRA. The addition of Mo in Ti(C, N)-TiB₂ cermets could improve the wettability between ceramic phase [Ti(C, N) / TiB₂] and metallic phase (Ni), inhibit the particles growth and improve relative density to 91.0%. When adding C to this cermets, the mechanical properties and microstructure were significantly improved, relative density increasing to 92.3%, hardness reaching to 88.6 HRA.

A coupled experimental-numerical study on shear fracture in the concrete specimens with different geometries is carried out using compression tests. The crack initiation, propagation and final breakage of the specimens are experimentally studied under compression loading. The effects of specimen geometries on the shear fracturing path in the concrete specimens are also studied. The same specimens are numerically analyzed using an indirect boundary element method to predict the crack propagation paths of concrete specimens. These numerical results are compared with the existing experimental results proving the accuracy and validity of the proposed study.

Melt impregnation is a crucial method for continuous fiber-reinforced thermoplastic. It was developed several years ago for thermosetting plastic, but it is very popular now in the thermoplastic matrices, with a much higher viscosity. In this paper, we propose a mathematic model based on Darcy's law, which combined with processing parameters and material physical parameters. Then we use this model to predict the influence of processing parameters on the degree of impregnation of the prepreg, and the trend of prediction is consistent with the experimental results. Therefore, the exhaustive numerical study enables to define the optimal processing conditions for a perfect impregnation. The results are shown to be effective tools for finding optimal pulling speed, pin number and pressure for a given fluid/fibers pair.

A novel heterogeneous Fenton catalyst was prepared by immobilizing iron(II) phthalocyanine (FePc) onto the amidoximated Polyacrylonitrile (PAN) fiber through axial coordination bonds. The obtained catalyst was characterized using XRD and DRS technique, and then used for the degradation of Rhodamine B under visible irradiation. The results indicated that optimum FePc concentration in the dispersion solution is 7.5 g/L, and the amidoxime groups having great coordination ability significantly facilitate anchoring FePc onto the catalyst. FePc immobilization led to the catalyst with decreased crystallinity region and obvious absorption feature in the visible region. In addition, the catalyst was found to be an efficient catalyst for oxidation elimination of RhB by activating H₂O₂ under visible irradiation.

Improving the melt viscoelasticity of poly(ethylene terephthalate) (PET) is a well-known method to obtain foamable PET. The aim of this study is to prepare high melt strength PET and evaluate the influence of rheological properties of PET on the foaming behavior. For this purpose, pyromelliticdianhydride was used as the chain extender to modify a linear PET through melt reactive processing. The rheological properties of the unmodified and modified PETs were measured by a dynamic rheometer. Results showed that the modified PET had higher complex viscosity than the unmodified one. Furthermore, the batch foaming by using supercritical CO₂ as a blowing agent was carried to evaluate the foamability of modified PETs. It was found that an enlarged foaming temperature window was obtained for modified PETs compared to unmodified PET. Moreover, the modified PETs foams exhibited higher expansion ratio, smaller cell size and higher cell density at high temperatures than the neat PET.

Nano-composite electrodeposition can improve the organizational structure of composite coatings and significantly improve the quality of the coating. Metal-ceramic composite coatings have improved mechanical, chemical and oxidation resistance properties, such as corrosion resistance, abrasion resistance and heat resistance. Content and distribution of codeposited particles determine the quality and performance of the coating. The factors which influenced the amount and distribution of codeposited particles were reviewed. The amount and distribution of codeposited particles are influenced by many process parameters, such as electrolyte composition and operating parameters. Finally an insight of the coming efforts to develop metal-ceramic composite coating is provided. It is the focus of future research to resolve reunion nanoparticles and improve codeposition amount and uniformly distributed nanoparticles of the coating.

Kyropoulos method has a temperature gradient, so the sapphire single crystal produced by it has generally stress. Three-step program annealing was proposed after researching the relation between vacuum degree and heat transfer as well as the temperature under different heating power. High quality sapphire single crystal without stress has been produced by using optimized annealing program, and light-emitting diode chip substrate grade sapphire rods with 4 inches in diameter has been processed from those crystal.

Multi-state failure process is common in current studies and industrial equipment. An inspection optimization model is proposed and different distributions are assumed to be compared in order to investigate the effect of different model distributions on the objective function for multi-state failure process. Both the exponential and weibull distributions are set in different lifetime stages. The objective function is expected cost per unit time. A numerical example is presented to illustrate the comparison of different lifetime distributions.

Semiconductor materials and Product qualified rate are directly related to the manufacturing costs and survival of the enterprise. Application a dynamic reliability growth analysis method studies manufacturing execution system reliability growth to improve product quality. Refer to classical Duane model assumptions and tracking growth forecasts the TGP programming model, through the failure data, established the Weibull distribution model. Combining with the median rank of average rank method, through linear regression and least squares estimation method, match respectively weibull information fusion reliability growth curve. This assumption model overcome Duane model a weakness which is MTBF point estimation accuracy is not high, through the analysis of the failure data show that the method is an instance of the test and evaluation modeling process are basically identical. Median rank in the statistics is used to determine the method of random variable distribution function, which is a good way to solve the problem of complex systems such as the limited sample size. Therefore this method has great engineering application value.

In order to study the heat transfer of the magnetorheological brake, the brake was simplified to a two dimensional axisymmetric finite element model. The steady state solutions of temperature were calculated and the cloud figures of temperature of disk were plotted. The results of simulation show that the maximum temperature is 131.7°C. Based on the results of the analysis and the structure characteristics of the brake, a cooling device was design for reducing the temperature of MR brake. And then the configuration of the cooling device was optimized for lower maximum working temperature and less weight by the response surface optimization method based on finite element. Finally, the optimal geometric parameters of the magneto-rheological brake are obtained.

To optimize the structure and make a reasonable choice for different field of coalescence plates, lateral mixing model based on turbulence flow of three-segment coalescence plates and the theoretical formula of separation efficiency were established. The relationship between separation efficiency and inlet velocity as well as pressure drop and inlet velocity are obtained by changing dip angle and plate spacing of coalescence plates in the experiment. It also explains the separation mechanism The experimental results agree with the theoretical results when inlet velocity is less than the critical rupture velocity (8m/s~10m/s), which are available to the design of gas-liquid separator. The separation performance is more excellent when the inlet velocity comes to 9m/s.

Precipitation behavior of the second phase in V–Ti microalloyed transformation-induced plasticity (TRIP) steels at different conditions was investigated. The second phase is mainly composed of Vanadium-titanium carbides and vanadium-titanium nitrides, which precipitates from bainitic ferrites as well as ferrite grains and grain boundaries. The average size, size distribution and numbers of the second phase of TRIP steel in as-cast state, as hot and cold rolled state and as TRIP heated state were analyzed and compared by using the technique of carbon extraction replica and transmission electron microscopy. It is shown that hot rolling can promote the second phase refining. In addition, the size of the second phase is obviously increased with the prolonged time soaking at 800􀔨. The average equivalent radiu of the second phase in samples after intercritical annealing at 800°C; for 5 minutes and bainitic isothermal transformation temperature of 400°C for 5 minutes is about 4nm.

Based on the observation of microstructure and the measurement of tensile test under different temperatures, the effect of co-doping rare earth Y(yttrium) and Gd (gadolinium) on the microstructure and high temperatures strength of a AM60B alloy has been investigated. The results show that the grains size has been refined and possessed high homogeneity with doping suitable Y and Gd content, and dense rare earth compounds has been decorated into matrix and grain boundaries, which enables a improvement on the mechanical properties of AM60B alloy under a higher temperatures. The tensile strength σ_b increases to 197 MPa at 170°C and exhibits a significant advance in intensity with 24% than the conventional AM60B alloy.

Considering the effect of stress wave, the dynamic buckling governing equations and boundary conditions of composite cylindrical shells under axial step load are derived based on the Hamilton principle. The expression of radial displacement function along the circumferential direction is assumed since the cylindrical shell is closed. The solutions of the governing equations are obtained by the state-space technique. The determinant of the coefficient matrix must be equal to zero if the linear equations have a non-trivial solution. The relationship between the critical load and length and the influences of boundary conditions, modes, etc. on critical load are obtained by programming with MATLAB software before and after the reflection of stress wave.

Aluminum alloy profile has been widely used in the manufacture of the rail vehicles. But it's necessary for the repair welding of the welded joints to be conducted because some defects exist in the weld such as porosity, inclusions and incomplete penetrations in the welding processes. In this paper, the influence of the multi-repair welding of 6005A aluminum alloy profile butt welded joints on the fatigue performance are investigated based on the results of fatigue tests. The parameters of curves and the fatigue strength of the welded joints are calculated, and Goodman fatigue limit diagram is also obtained. The results show that fatigue strength of aluminum alloy profile butt welded joints, in condition of 10⁷ cycle life, meet the standard requirement for the as-welded, repair welded state one time or two times respectively.

Fourier temperature finite element is very efficient on nonlinear analysis of transient temperature fields of thin-walled tubes absorbing space heat flux and emitting thermal energy by radiation. Controlled temperature of thin-walled tubes can supress the thermally-induced responses of space structures. Based on fourier-temperature finite element, this paper develops a heat flux identification method for given temperature on thin-walled tubes and the identification result can be used to actively control the temperature of thin-walled tubes. A numerical example illustrate that the heat flux value, acting position and acting area can be reliably identified by this method.

Improving the efficiency and applicability of vibration stress relief (VSR) method is a hot topic today. In this study, the waste heat in the multi-pass welding procedure was used to enhance VSR. A novel stress relief method, i.e. inter-pass thermal-vibration stress relief (ITVSR), was proposed. The effects of ITVSR were compared to that of regular VSR and vibration welding (V-Welding). The results indicate that ITVSR is highly effective in decreasing the residual stress in the plates, which is very important for components to be used in offshore engineering. Further, the directional effectiveness of the three methods was revealed. The longitudinal stress in the plates was decreased while the transverse stress was increased, by all the three methods. The mechanism of this phenomenon was discussed. Comparing to the other two methods, ITVSR was more effective in relieving longitudinal stress, and raised transverse stress at a minimum amplitude. Thus, we propose a new technical route to improve the efficiency and applicability of VSR.

To study the spin entangling effects on organic magneto-resistance in organic semiconductors, we focused on the entanglement-related hopping transfer of electrons on the basis of the Miller-Abrahams hopping rate. Considering spin entanglement of localized electron with the nucleus in the hopping process, we deduced an attempt hopping rate of electrons as a function of the applied magnetic field and the localized hyperfine interaction, and thus established a model to calculate the organic magneto-resistance. The calculated results show that the magneto-resistance has a maximum in the lower magnetic field, and the corresponding magnetic field B_max increases with the hyperfine interaction. In the higher magnetic field, the magneto-resistance tends to a negative saturation value. This analysis will be an valuable reference for deep understanding of the organic magneto-resistance.

Cigarette smoke analysis of tipping paper with different permeability was carried out. The infrared thermal imager was used to measure burning temperature of cigarette with different permeability tipping paper. The results indicated that with the increase of tipping paper permeability, Tar, CO and nicotine in cigarette mainstream were significantly linear decreased, puff count was increased. Tipping paper permeability had a great influence on cigarette burning temperature. With the increase of tipping paper permeability, the third puff burning temperature and the average peak temperature values were dropped obviously, but the changes of smoldering temperature were not obvious. In addition, smoldering average temperature was significantly lower than the third puff burning temperature and peak temperature.

The thermal stability of SiC matrix in PIP-processed C/SiC composites after annealing at different high temperatures was studied. The microstructure evolution of SiC matrix in PIP-C/SiC composites was characterized. The results showed that the microstructure of SiC matrix gradually destroyed with the elevation of annealing temperature. When the annealing temperature exceed to 1600℃(>1600℃), the integrity of SiC matrix was destroyed, which corresponding to the descend of mechanical properties.

To observe the application effects of the absorbable hemostatic materials in thyroid operation. Methods: From May 2014 to January 2015, 100 patients with thyroid surgery in our university affiliated hospital were selected as the research object. Randomly divided into experimental group and control group, 50 cases in each group. Application of absorbable hemostatic hemostatic materials in the experimental group during the operation, the control group using the traditional mechanical methods of hemostasis hemostasis to observe the operation time, bleeding volume, postoperative drainage volume, complications and hospital stay of the two groups. Results: The operation time, bleeding volume, postoperative drainage and hospital stay in the experimental group were significantly lower in the study group than in the control group, and the difference between the two groups was statistically significant (P< 0.05); The satisfaction of patients in the experimental group was significantly higher than that in the control group, the difference was statistically significant in the two groups (P < 0.05); There was no significant difference in the incidence of wound bleeding complications between the study group and the control group (P > 0.05). Conclusion: Absorbable hemostatic materials can effectively shorten the operation time, reduce intraoperative blood loss and postoperative drainage, reduce the length of hospital stay and improve the success rate of surgery and patient satisfaction, which is worthy to be popularized in clinical thyroid surgery.

In this paper, a novel dibenzocoronene tetracarboxdiimide derivative decorated with swallow-tailed glycol chain and alkoxy chain was synthesized by means of benzannulation reaction of substituted perylene diimide with 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as an effective oxidant with high yield, and its structure were confirmed by HNMR, ¹³CNMR and HRMS.

The study of projectile material pre-control fracture is helpful to improve the projectile metal effective fragmentation and the material utilization rate. Fragments muzzle velocity and lethality can be affected by the different explosive charge and the way of initiation. The finite element software can simulate the process of projectile explosive rupture which has a pre-groove in the projectile shell surface and analysis of typical node velocity change with time, to provides a reference for the design and optimization of precontrol frag.

The h-BN and graphene films on Si substrates were prepared by RF magnetron sputtering and CVD techniques, respectively. Structures and morphologies of these films were analyzed by IR and Raman spectroscopies and scanning electronic microscopy. Thermal conductivities of bulk Si and Si substrate with h-BN or graphene grown were measured and compared. Results indicate that both h-BN and graphene films have an enhancement effect on the TC of the Si substrate even if they are not single-layer. Our findings imply that the h-BN and graphene films may have good applications as a thermal management material to help heat dissipation in semiconductor devices.

We propose an innovate program in order to improve the distribution of magnetic particles aggregated in magnetic field by changing the radius of the pole(R) and the spacing between two poles(D). The finite element software ANSYS is used to research the changes in magnetic flux density and magnetic gradient in the experiment. The analysis by Origin indicates that the force along radius reduced to less than half of the original, improving the aggregation at the center greatly.

To compare the effect of 3 kinds of different materials on the hemostasis of puncture site after central venous catheterization. Method: A selection of 120 patients with peripheral central venous catheter chemotherapy in the Affiliated Hospital of our university from January 2014 to April 2015, Randomly divided into 3 groups, using the same specification (3.5cm × 2cm) alginate gelatin sponge and gauze dressing, 3 kinds of material compression puncture point, 3 groups of patients after puncture 24 h within the puncture point of local blood and the catheter after the catheter 72 h within the catheter maintenance costs. Result: (1) The local infiltration of the puncture point in the 24 h tube: The use of alginate dressing and gelatin sponge hemostatic effect is better than that of compression gauze. The difference was statistically significant (P <0.05). Compared with gelatin sponge and alginate dressing hemostatic effect, The difference was not statistically significant. (2) Tube maintenance cost: Puncture point using gelatin sponge, The local maintenance costs of the catheter within 72 h after insertion of the tube are lowest, compared with alginate dressing and gauze was significant (P<0.05). Conclusion: The choice of compression hemostasis material for the puncture site after PICC implantation, using gelatin sponge and gauze dressing is more effective and economic.

Chemical reaction and formation of intermetallic compounds at the interface are widely believed to have a beneficial effect on the wetting in metallic systems. However, we demonstrated in this study that it might be an erroneous or at least imperfect viewpoint, which is misled by the presence of native oxide film of metals. Using a dispensed sessile drop technique together with substrate pre-annealing treatment in high vacuum, we found that the wetting of clean Cu, Ni and Fe surfaces by clean Sn droplets is almost independent of interfacial reaction; whereas, for oxidized surfaces, the interfacial reaction plays a significant role in the wetting through the disruption of the oxide film covering the liquid or/and solid surface(s), making their intimate contact possible.

In order to identify the elementary mechanisms governing the organic magneto-resistance (OMAR) phenomenon, we demonstrated how the applied magnetic field acts on the variable hopping mobility. Based on a percolation model of hopping between localized states, we introduced an analytic expression for magneto-mobility and thus the OMAR, and discussed the influence of inter-site electronic interaction, operating bias, film thickness, temperature, and material parameters on the OMAR. The double occupied states and the spin selection rules play a major role in the mechanism.

Zr–Si thin film with a thickness of 8nm used as diffusion barrier in Cu interconnect was examined. Amorphous Zr-Si diffusion barriers were deposited on the Si substrates by reactive magnetron sputtering. The Cu/Zr-Si (-150V)/Si structures were manufactured and annealed in Ar ambient at temperatures 550 and 600°C for an hour. The primitive features of contact system are still maintained after annealing at 550°C. On the other hand, the interdiffusion of Cu and Si through the 8nm Zr-Si layer occurred after annealing at 600°C. It indicates that the barrier property of 8nm Zr-Si layer is sufficient up to 550°C for our deposition conditions.

The energy band structure of monodoped and codoped NaNbO₃ systems are investigated by first-principles calculations. The (N, P, C) monodoped systems appear unfilled impurity states in the band gap, which will reduce the efficiency of the photocatalysis for water splitting. For the S doped, the band gap reduction is not sufficient for visible light photocatalysis. The hole-hole mediated coupling of (N+N, N+P, C+S) codoped systems not only induce appreciate gap narrowing, but also remove the impurity states meaningfully. The band edge positions state that the (N+N, C+S) codoped NaNbO₃ are very good candidates for the photocatalysis of water for hydrogen production.

Electrolyte materials are the key components in dye-sensitized solar cells and are very crucial to the performance and long-term stability of the cells. The diamide derivatives have been proved in our lab to be effective to improve the stability of the traditional liquid electrolyte as low molecular mass organogelator (LMOGs). Our previous experiments and simulations indicated that the relationship between the morphology of the electrolyte and the self-assembly of the LMOGs. In the current study, the self-assembly of two diamine derivatives (N,N'-1,8-octanediylbis-dodecanamide and N,N'-1,9-nonanediylbis-dodecanamide) has been investigated and characterized using molecular dynamics. Although the structure of the two these molecules is only different in one methylene, the simulations revealed that the self-assembly patterns of the two diamine derivatives are quite different. The differences seems to be suitable to explain the diverse morphologies formed by the assembly of the LMOGs.