Study on the Mechanism of Nanopatterning in Printed Electronics Based on Molecular Dynamics Simulation

In order to research the feasibility of using the selective adsorption principle to achieve automatic shaping of nano patterns,in this study,using the liquid gallium as the conductive ink and graphene as the printing plate surface,by changing the surface wettability of patterned areas on the nanoscale of graphene printed boards,the automatic formation of liquid gallium patterns on the graphene printed plate surface was simulated.The results indicated that liquid gallium can achieve automatic patterning on the surface of graphene patterned areas;the greater the interaction energy between gallium and carbon atoms,the clearer the pattern;gallium liquid is prone to remain in complex local positions of the pattern,making it difficult to shape the pattern;if the spacing between adjacent pattern lines is too large or too small,it will result in residual gallium liquid between the lines;increasing the thickness of the gallium film will cause the pattern to expand beyond the boundary,but increasing the thickness of the gallium film can also enhance the thickness and uniformity of the pattern lines.In summary,the principle of selective adsorption can be used to achieve the automatic formation of nano patterns,and the pattern formation effect is influenced by factors such as atomic interaction energy and pattern configuration.

A thermo-mechanical damage constitutive model for deep rock considering brittleness-ductility transition characteristics

This paper developed a statistical damage constitutive model for deep rock by considering the effects of external load and thermal treatment temperature based on the distortion energy.The model parameters were determined through the extremum features of stress−strain curve.Subsequently,the model predictions were compared with experimental results of marble samples.It is found that when the treatment temperature rises,the coupling damage evolution curve shows an S-shape and the slope of ascending branch gradually decreases during the coupling damage evolution process.At a constant temperature,confining pressure can suppress the expansion of micro-fractures.As the confining pressure increases the rock exhibits ductility characteristics,and the shape of coupling damage curve changes from an S-shape into a quasi-parabolic shape.This model can well characterize the influence of high temperature on the mechanical properties of deep rock and its brittleness-ductility transition characteristics under confining pressure.Also,it is suitable for sandstone and granite,especially in predicting the pre-peak stage and peak stress of stress−strain curve under the coupling action of confining pressure and high temperature.The relevant results can provide a reference for further research on the constitutive relationship of rock-like materials and their engineering applications.

Performance of water-coupled charge blasting under different in-situ stresses

Water-coupled charge blasting is a promising technique to efficiently break rock masses.In this study,numerical models of double boreholes with water-coupled charge are established using LS-DYNA and are calibrated by the tests of rock masses subjected to explosion loads to examine its performance.The crack levels of rock mass induced by water-coupled charge blasting and air-coupled charge blasting are first compared.It is found that water-coupled charge blasting is more appropriate to fracture deep rock mass than air-coupled charge blasting.In addition,the effects of rock properties,water-coupled charge coefficients,and borehole connection angles on the performance of water-coupled charge blasting are investigated.The results show that rock properties and water-coupled charge coefficients can greatly influence the crack and fragmentation levels of rock mass induced by water-coupled charge blasting under uniform and non-uniform in-situ stresses.However,changing borehole-connection angles can only affect crack and fragmentation levels of rock mass under non-uniform in-situ stresses but barely affect those under uniform in-situ stresses.A formula is finally proposed by considering the above-mentioned factors to provide the design suggestion of water-coupled charge blasting to fracture rock mass with different in-situ stresses.

鄂尔多斯盆地东缘上古生界致密储层含气系统压力演化

鄂尔多斯盆地东缘上古生界多层系致密气发育,准确认识气藏压力演化过程对深化致密气成藏认识和实现气井高产稳产具有指导意义。综合应用钻测井资料和岩心流体包裹体测试,结合盆地埋藏史和热演化史模拟,揭示了鄂尔多斯盆地东缘上古生界含气系统压力演化。结果显示,研究区自下而上发育欠压、略微欠压和常压系统。均一温度和盐度总体上连续分布,反映了油气连续充注过程。太原组、山西组和下石盒子组均一温度和盐度正相关,反映近源生烃后快速充注;上石盒子组和石千峰组均一温度和盐度负相关,受流体远距离运移充注和紫金山构造热事件作用下的气藏再平衡影响。研究区在白垩纪中期大量生烃,形成了异常高压,储层压力在34.89~38.26 MPa。后期地层抬升造成储层压力降低,其中地层降温贡献了50.31%~57.85%;天然气膨胀引起的气体运移贡献了28.25%~41.95%,且以上部地层降低为主;孔隙反弹贡献了0.37%~0.79%。相关成果系统揭示了上古生界致密气藏压力系统演化及现今气藏压力成因,对于认识鄂尔多斯盆地和类似盆地致密气富集成藏规律具有借鉴意义。

Dynamic behavior of rock during its post failure stage in SHPB tests

In order to investigate the micro-process and inner mechanism of rock failure under impact loading, the laboratory tests were carried out on an improved split Hopkinson pressure bar （SHPB） system with synchronized measurement devices including a high-speed camera and a dynamic strain meter. The experimental results show that the specimens were in the state of good stress equilibrium during the post failure stage even when visible cracks were forming in the specimens. Rock specimens broke into strips but still could bear the external stress and keep force balance. Meanwhile, numerical tests with particle flow code （PFC） revealed that the failure process of rocks can be described by the evolution of micro-fractures. Shear cracks emerged firstly and stopped developing when the external stress was not high enough. Tensile cracks, however, emerged when the rock specimen reached its peak strength and played an important role in controlling the ultimate failure during the post failure stage.

Fluidized-bed chlorination thermodynamics and kinetics of Kenya natural rutile ore

Natural rutile and gaseous chlorine with carbon as reductant were used to prepare titanium tetrachloride. Thermodynamics and kinetics of chlorination of Kenya natural rutile particles in a batch-type fluidized bed were studied at 1173-1273 K. Thermodynamic analysis of this system revealed that the equation of producing CO was dominant at high temperatures. Based on the gas-solid multi-phase reaction theory and a two-phase model for the fluidized bed, the mathematical description for the chlorination reaction of rutile was proposed. The reaction parameters and the average concentration of gaseous chlorine in the emulsion phase were estimated. The average concentration of emulsion phase in the range of fluidized bed was calculated as 0.3 mol/m^3. The results showed that the chlorination of natural rutile proceeded principally in the emulsion phase, and the reaction rate was mainly controlled by the surface reaction.

Effect of Fe_2O_3 on non-isothermal crystallization of CaO-MgO-Al_2O_3-SiO_2 glass

The crystallization behavior and kinetics of CaO-MgO-Al2O3 SiO2（CMAS） glass with the Fe2O3 content ranging from zero to 5%were investigated by differential scanning calorimetry（DSC）.The structure and phase analyses were made by Fourier transform infrared spectroscopy（FT-IR） and X-ray diffraction（XRD）.The experiment results show that the endothermic peak temperature about 760℃ is associated with transition and the exothermic peak temperature about 1000℃ is associated with crystallization.The crystallization peak temperature decreases with increasing the Fe203 content.The crystallization mechanism is changed from two-dimensional crystallization to one-dimensional growth,and the intensity of diopside peaks becomes stronger gradually.There is a saltation for the crystallization temperature with the addition of 0.5%Fe2O3 due to the decomposition of Fe2O3.Si-O-Si,O-Si-O and T-O-T（T=Si,Fe,Al） linkages are observed in Fe2O3-CaO-MgO-Al2O3-SiO2 glass.

Dynamics simulation of tertiary amines adsorbing on kaolinite(001) plane

The collecting power of tertiary amines（DRN,DEN and DPN） on kaolinite follows the order of DENDPNDRN.After reacting with DRN,DEN and DPN,the surface potentials of kaolinite increase remarkably,and the recruitments caused by collectors also follow the order of DENDPNDRN.The results of dynamics simulation show that the geometries of substituent groups bonding to N are deflected and twisted,and some of bond angles are changed when tertiary amines cations adsorb on kaolinite（001） surface.Based on the results of dynamics simulations and quantum chemistry calculations,the electrostatic forces between three tertiary amines cations and 4×4×3（001） plane of kaolinite are 1.38×10？7 N（DRN12H＋）,1.44×10-6 N（DEN12H＋）,1.383×10-6 N（DPN12H＋）,respectively.

Preparation and mechanical properties of carbon/carbon composites with high textured pyrolytic carbon matrix

Short carbon fiber felts with an initial porosity of 89.5% were deposited by isobaric, isothermal chemical vapor infiltration using natural gas as carbon source. The bulk density of the deposited carbon/carbon （C/C） composites was 1.89 g/cm3 after depositing for 150 h. The microstructure and mechanical properties of the C/C composites were studied by polarized light microscopy, X-ray diffraction, scanning electron microscopy and three-point bending test. The results reveal that high textured pyrolytic carbon is deposited as the matrix of the composites, whose crystalline thickness and graphitization degree highly increase after heat treatment. A distinct decrease of the flexural strength and modulus accompanied by the increase of the toughness of the C/C composites is found to be correlated with the structural changes in the composites during the heat treatment process.

Kinetics analysis of decomposition of vanadium slag by KOH sub-molten salt method

A novel process was developed for the decomposition of vanadium slag using KOH sub-molten salt under ambient pressure, and the effects of reaction temperature, alkali-to-ore mass ratios, particle size, and stirring speed on vanadium and chromium extraction were studied. The results suggest that the reaction temperature and KOH-to-ore mass ratio are more influential factors for the extraction of vanadium and chromium. Under the optimal reaction conditions （temperature 180 °C, initial KOH-to-ore mass ratio 4：1, stirring speed 700 r/min, gas flow 1 L/min, and reaction time 300 min）, vanadium and chromium extraction rates can reach up to 95% and 90%, respectively. Kinetics analysis results show that the decomposing process of vanadium slag in KOH sub-molten salt can be well interpreted by the shrinking core model under internal diffusion control. The apparent activation energies for vanadium and chromium are 40.54 and 50.27 kJ/mol, respectively.

Dissolution kinetics and mechanism of gibbsitic bauxite and pure gibbsite in sodium hydroxide solution under atmospheric pressure

The crystal structure, morphology, dissolution kinetics and mechanism of gibbsitic bauxite and pure gibbsite in Na OH solution under atmospheric pressure were systematically investigated by XRD and SEM. The results show that the size of single crystal of gibbsite in gibbsitic bauxite is smaller than that in pure gibbsite, but the interplanar distance is larger than that of pure gibbsite, which result in more defects in the crystal and less energy needed to dissolve in alkaline solution for the gibbsitic bauxite. The dissolution kinetic equations of gibbsitic bauxite and pure gibbsite were established, and the corresponding activation energies were calculated to be 99.144 and 115.149 k J/mol, respectively.

Kinetics of extracting magnesium from mixture of calcined magnesite and calcined dolomite by vacuum aluminothermic reduction

The vacuum aluminothermic reduction of the mixture of calcined magnesite and calcined dolomite was studied. An isothermal reduction method satisfying the vacuum aluminothermic reduction was proposed. The experiments were carried out at 4 Pa. The results indicate that the reduction rate is increased with increasing temperature, content of aluminum and pellet forming pressure. The XRD patterns of pellets at different reduction stages confirm that the reduction process can be roughly classified into three stages：the formation of MgAl2O4, and Ca12Al14O33 phases;the phase transformation from MgAl2O4 and C12A7 to CaAl2O4;the formation of CaAl4O7 phase. The experimental data were divided into three parts according to the kinetic models. The apparent activation energies of the three parts were determined to be 98.2, 133.0 and 223.3 kJ/mol, respectively.

Analysis on the Competitiveness of Industrial Real Estate Based on Diamond Model ——Taking Jiangxi Province as an Example

Based on the current development of industrial real estate of Jiangxi Province, comprehensive analysis was conducted to 6 aspects using the idea of diamond model, namely, factor conditions, demand conditions, related and supporting industries, firm strategy, structure and rivalry, government and chance through the comparison with the other industrial real estates and analysis on horizontal competition in China. Development countermeasures were investigated to improve the competitiveness of the industrial real estate in Guangxi, putting forward the strategies of developing the role of government and business, seizing the opportunities of the times, city-industry integration development, implementation of industrial integration and integration of city development, the implementation of industrial integration and investment planning.

Evaluation on residual stresses of silicon-doped CVD diamond films using X-ray diffraction and Raman spectroscopy

The effect of silicon doping on the residual stress of CVD diamond films is examined using both X-ray diffraction (XRD) analysis and Raman spectroscopy measurements. The examined Si-doped diamond films are deposited on WC-Co substrates in a home-made bias-enhanced HFCVD apparatus. Ethyl silicate (Si(OC2H5)4) is dissolved in acetone to obtain various Si/C mole ratio ranging from 0.1% to 1.4% in the reaction gas. Characterizations with SEM and XRD indicate increasing silicon concentration may result in grain size decreasing and diamond [110] texture becoming dominant. The residual stress values of as-deposited Si-doped diamond films are evaluated by both sin2ψ method, which measures the (220) diamond Bragg diffraction peaks using XRD, with ψ-values ranging from 0° to 45°, and Raman spectroscopy, which detects the diamond Raman peak shift from the natural diamond line at 1332 cm-1. The residual stress evolution on the silicon doping level estimated from the above two methods presents rather good agreements, exhibiting that all deposited Si-doped diamond films present compressive stress and the sample with Si/C mole ratio of 0.1% possesses the largest residual stress of ~1.75 GPa (Raman) or ~2.3 GPa (XRD). As the silicon doping level is up further, the residual stress reduces to a relative stable value around 1.3 GPa.

Adsorption and Desorption of Natural Zeolite on NH_4^+

The adsorption and desorption kinetic of natural zeolite on NH4＋ was stud-ied by lab analysis. The results showed that the adsorption and desorption kinetic of natural zeolite on NH4＋ coincided with the first-order kinetics, modified Freundlich equation, parabolic diffusion model, and heterogeneous diffusion model. The desorp-tion of the adsorbed NH4＋ was far rapider than the adsorption, which can be fin-ished within 60 min.

Thermo-mechanical coupled particle model for rock

A thermo-mechanical coupled particle model for simulation of thermally-induced rock damage based on the particle simulation method was proposed.The simulation results of three verification examples,for which the analytical solutions are available,demonstrate the correctness and usefulness of the thermo-mechanical coupled particle model.This model is applied to simulating an application example with two cases：one is temperature-independent elastic modulus and strength,while the other is temperature-dependent elastic modulus and strength.The related simulation results demonstrate that microscopic crack initiation and propagation process with consideration of temperature-independent and temperature-dependent elastic modulus and strength are different and therefore,the corresponding macroscopic failure patterns of rock are also different.On the contrary,considering the temperature-dependent elastic modulus and strength has no or little effect on the heating conduction behavior.Numerical results,which are obtained by using the proposed model with temperature-dependent elastic modulus and strength,agree well with the experimental results.This also reveals that the rock subjected to heating experiences much more cracking than the rock subjected to cooling.

Rockburst proneness criteria for rock materials:Review and new insights

To review the rockburst proneness(or tendency)criteria of rock materials and compare the judgment accuracy of them,twenty criteria were summarized,and their judgment accuracy was evaluated and compared based on the laboratory tests on fourteen types of rocks.This study begins firstly by introducing the twenty rockburst proneness criteria,and their origins,definitions,calculation methods and grading standards were summarized in detail.Subsequently,to evaluate and compare the judgment accuracy of the twenty criteria,a series of laboratory tests were carried out on fourteen types of rocks,and the rockburst proneness judgment results of the twenty criteria for the fourteen types of rocks were obtained accordingly.Moreover,to provide a unified basis for the judgment accuracy evaluation of above criteria,a classification standard(obtained according to the actual failure results and phenomena of rock specimen)of rockburst proneness in laboratory tests was introduced.The judgment results of the twenty criteria were compared with the judgment results of this classification standard.The results show that the judgment results of the criterion based on residual elastic energy(REE)index are completely consistent with the actual rockburst proneness,and the other criteria have some inconsistent situations more or less.Moreover,the REE index is based on the linear energy storage law and defined in form of a difference value and considered the whole failure process,and these superior characteristics ensure its accuracy.It is believed that the criterion based on REE index is comparatively more accurate and scientific than other criteria,and it can be recommended to be applied to judge the rockburst proneness of rock materials.

Determination of ejection velocity of rock fragments during rock burst in consideration of damage

The ejection velocity of rock fragments during rock burst, one of the important indexes representing the rock burst strength, is used most conveniently in the supporting design of tunnel with rock burst tendency and is often determined by means of observation devices. In order to calculate the average ejection velocity of rock fragments theoretically, the energy of rock burst was divided into damage consuming energy and kinetic energy gained by unit volume of rock firstly, and then the rock burst kinetic proportional coefficient η was brought up which could be determined according to the rock-burst damage energy index W_D , at last the expression of the average ejection velocity of rock fragments during rock burst was obtained and one deep level underground tunnel was researched using the mentioned method. The results show that the calculation method is valid with or without considering the tectonic stress of tunnels, and that the method can be a reference for supporting design of deep mining.

Experimental study on energy storage and dissipation characteristics of granite under two-dimensional compression with constant confining pressure

To study the energy storage and dissipation characteristics of deep rock under two-dimensional compression with constant confining pressure,the single cyclic loading-unloading two-dimensional compression tests were performed on granite specimens with two height-to-width(H/W)ratios under five confining pressures.Three energy density parameters(input energy density,elastic energy density and dissipated energy density)in the axial and lateral directions of granite specimens under different confining pressures were calculated using the area integral method.The experimental results show that,for the specimens with a specific H/W ratio,these three energy density parameters in the axial and lateral directions increase nonlinearly with the confining pressure as quadratic polynomial functions.Under constant confining pressure compression,the linear energy storage law of granite specimens in the axial and lateral directions was founded.Using the linear energy storage law in different directions,the elastic energy density in various directions(axial elastic energy density,lateral elastic energy density and total elastic energy density)of granite under any specific confining pressures can be calculated.When the H/W ratio varies from 1:1 to 2:1,the lateral compression energy storage coefficient increases and the corresponding axial compression energy storage coefficient decreases,while the total compression energy storage coefficient is almost independent of the H/W ratio.