From Tunneling to Hopping: A Comprehensive Investigation of Charge Transport Mechanism in Molecular Junctions Based on Oligo(p-phenylene ethynylene)s

The charge transport mechanism of oligo(p-phenylene ethynylene)s with lengths ranging from 0.98 to 5.11 nm was investigated using modified scanning tunneling microscopy break junction and conducting probe atomic force microscopy methods. The methods were based on observing the length dependence of molecular resistance at single molecule level and the current-voltage characteristics in a wide length distribution. An intrinsic transition from tunneling to hopping charge transport mechanism was observed near 2.75 nm. A new transitional zone was observed in the long length molecular wires compared to short ones. This was not a simple transition between direct tunneling and field emission, which may provide new insights into transport mechanism investigations. Theoretical calculations provided an essential explanation for these phenomena in terms of molecular electronic structures.

Geophysical signatures associated with fluid flow and gas hydrate occurrence in a tectonically quiescent sequence, Qiongdongnan Basin, South China Sea

Interpretation of high-resolution two-dimensional (2D) and three-dimensional (3D) seismic data collected in the Qiongdongnan Basin, South China Sea reveals the presence of polygonal faults, pockmarks, gas chimneys and slope failure in strata of Pliocene and younger age. The gas chimneys are characterized by low-amplitude reflections, acoustic turbidity and low P-wave velocity indicating fluid expulsion pathways. Coherence time slices show that the polygonal faults are restricted to sediments with moderate-amplitude, continuous reflections. Gas hydrates are identified in seismic data by the presence of bottom simulating reflectors (BSRs), which have high amplitude, reverse polarity and are subparallel to seafloor. Mud diapirism and mounded structures have variable geometry and a great diversity regarding the origin of the fluid and the parent beds. The gas chimneys, mud diapirism, polygonal faults and a seismic facies-change facilitate the upward migration of thermogenic fluids from underlying sediments. Fluids can be temporarily trapped below the gas hydrate stability zone, but fluid advection may cause gas hydrate dissociation and affect the thickness of gas hydrate zone. The fluid accumulation leads to the generation of excess pore fluids that release along faults, forming pockmarks and mud volcanoes on the seafloor. These features are indicators of fluid flow in a tectonically-quiescent sequence, Qiongdongnan Basin. Geofluids (2010) 10, 351-368.

Hydrogeochemistry of formation water in relation to overpressures and fluid flow in the Qikou Depression of the Bohai bay basin, China

The Qikou Depression is the largest hydrocarbon bearing depression in the western part of the Bohai bay basin, dominated by fan delta and lacustrine strata with volcanic and volcaniclastic rocks. In this study, the formation pressures and hydrochemistry of the formation water in the Qikou depression are investigated. It is found that a significant overpressure occurs in the Dongying (Ed) Formation and the first member (Est), the second member (Es2), the third member (Es3) of the Shahejie Formation. The pressure coefficients commonly range from 1.2 to 1.6 with the highest pressure coefficient being 1.7. The analysis of hydrochemistry data shows that the whole depression is dominated by NaHCO3 water type. The concentration of total dissolved solid (TDS) ranges from 2.13 to 53.16 g/L and shows a distinct vertical variation of salinity and ion ratios. High salinity water (TDS> 10 g/L) occurs below a depth of 2500 m, which coincides with the presence of the overpressured system. However, the increasing trend of TDS is diminished below 3500 m because the generation of organic acids in Qikou Depression is inhibited in the presence of overpressure. The analysis of the relationship among different ions indicates that the present-day characteristics of the formation water result from the albitization of feldspar and the dissolution of sodium-rich silicate minerals and halite in the different hydrochemical and pressure systems. (C) 2009 Elsevier B.V. All rights reserved.

Numerical Simulation of the Flow Field and Concentration Distribution in the Bulk Growth of Silicon Carbide Crystals

The physical vapor transport (PVT) method is being widely used to grow large-size single SiC crystals. The growth process is associated with heat and mass transport in the growth chamber, chemical reactions among multiple species as well as phase change at the crystal/gas interface. The current paper aims at studying and verifying the transport mechanism and growth kinetics model by demonstrating the flow field and species concentration distribution in the growth system. We have developed a coupled model, which takes into account the mass transport and growth kinetics. Numerical simulation is carried out by employing an in-house developed software based on finite volume method. The results calculated are in good agreement with the experimental observation.

Progress In Modeling Of Fluid Flows In Crystal Growth Processes

Modeling of fluid flows in crystal growth processes has become an important research area in theoretical and applied mechanics. Most crystal growth processes involve fluid flows, such as flows in the melt, solution or vapor. Theoretical modeling has played an important role in developing technologies used for growing semiconductor crystals for high performance electronic and optoelectronic devices. The application of devices requires large diameter crystals with a high degree of crystallographic perfection, low defect density and uniform dopant distribution. In this article, the flow models developed in modeling of the crystal growth processes such as Czochralski, ammonothermal and physical vapor transport methods are reviewed. In the Czochralski growth modeling, the flow models for thermocapillary flow, turbulent flow and MHD flow have been developed. In the ammonothermal growth modeling, the buoyancy and porous media flow models have been developed based on a single-domain and continuum approach for the composite fluid-porous layer systems. In the physical vapor transport growth modeling, the Stefan flow model has been proposed based on the flow-kinetics theory for the vapor growth. In addition, perspectives for future studies on crystal growth modeling are proposed. (c) 2008 National Natural Science Foundation of China and Chinese Academy of Sciences. Published by Elsevier Limited and Science in China Press. All rights reserved.

Numerical Study on Flow Field and Temperature Distribution in Growth Process of 200 mm Czochralski Silicon Crystals

The melt flow and temperature distribution in a 200 mm silicon Czochralski furnace with a cusp magnetic field was modeled and simulated by using a finite-volume based FLUTRAPP ( Fluid Flow and Transport Phenomena Program) code. The melt flow in the crucible was focused, which is a result of the competition of buoyancy, the centrifugal forces caused by the rotations of the crucible and crystal, the thermocapillary force on the free surfaces and the Lorentz force induced by the cusp magnetic field. The zonal method for radiative heat transfer was used in the growth chamber, which was confined by the crystal surface, melt surface, crucible, heat shield, and pull chamber. It was found that the cusp magnetic field could strength the dominant counter-rotating swirling flow cell in the crucible and reduce the flow oscillation and the pulling-rate fluctuation. The fluctuation of dopant and oxygen concentration in the growing crystal could thus be smoothed.

Numerical Simulation of the Flow Field and Concentration Distribution in the Bulk Growth of Silicon Carbide Crystals

The physical vapor transport (PVT) method is being widely used to grow large-size single SiC crystals. The growth process is associated with heat and mass transport in the growth chamber, chemical reactions among multiple species as well as phase change at the crystal/gas interface. The current paper aims at studying and verifying the transport mechanism and growth kinetics model by demonstrating the flow field and species concentration distribution in the growth system. We have developed a coupled model, which takes into account the mass transport and growth kinetics. Numerical simulation is carried out by employing an in-house developed software based on finite volume method. The results calculated are in good agreement with the experimental observation.

温度、压力耦合背景下多相流体运移的数学模型研究

The Mathematical modeling of multiphase fluid flow is an important aspect of basin simulation, and also is a topic of geological frontier. Based on coupling relation of temperature, pressure and fluid flow, this dissertation discusses the modeling which conform to geological regularities of fluid migration. The modeling that is multi-field and multiphase includes heat transport equation, pressure evolvement equation, solution transport equation and fluid transport equation. The finite element method is effective numerical calculation methods. Author applies it to solve modeling and implements the finite element program, and the modeling is applied to Ying-Qiong Basin. The channels of fluid vertical migration are fault, fracture and other high penetrability area. In this thesis, parallel fracture model and columnar channel model have been discussed, and a characteristic time content and a characteristic space content been obtained to illustrate the influences of stratigraphic and hydrodynamic factors on the process. The elliptoid fracture model is established and its approximately solution in theory is gotten. Three kinds of modeling are applied to analyze the transient variation process of fluid pressure in the connected permeable formations. The elliptoid fracture model is the most similar geology model comparing with the other fracture models so the research on this fracture model can enhance the understanding to fluid pressure. In the non-hydrodynamic condition, because of the difference between water density and nature gas density, nature gas can migrate upon by float force. A one-dimension mathematical model of nature gas migration by float force is established and also applied to analyze the change in the saturation of gas. In the process of gas migration its saturation is non-continuous. Fluid flow is an important factor which influences the distribution of the temperature-field, the change of temperature can influence fluid property (including density, viscidity, and solubility),a nd the temperature field has coupling relations to the fluid pressure field. In this dissertation one-dimension and two-dimension thermal convection modeling is developed and also applied to analyze convective and conductive heat transfer. Author has established one-dimension and two-dimension mathematical modeling in which fluid is a mixture of water and nature gas based on the coupling relation between temperature and pressure, discussed mixture fluid convection heat transfer in different gas saturation, and analyzed overpressure form mechanism. Based on geothermal abnormity and pore pressure distribution in Dongfong 1-1, Yinggehai Basin, South China Sea, one-dimension mathematical modeling of coupling temperature and pressure is established. The modeling simulates the process that fluid migrates from deep to shallow and overpressure forms in shallow. When overpressure is so large that fractures appear and overpressure is released. As deep fluid flow to shallow, the high geothermal then forms in shallow. Based on the geological characteristics in Ya13-1, two-dimension mathematical modeling of coupling temperature and pressure is established. Fluid vertically flows in fault and then laterally migrates in reservoir. The modeling simulates the geothermal abnormity and pore pressure distribution in reservoir.

Simulation of Free-Surface Flow in a Tank Using the Navier-Stokes Model and Unstructured Finite Volume Method

Modelling free-surface flow has very important applications in many engineering areas such as oil transportation and offshore structures. Current research focuses on the modelling of free surface flow in a tank by solving the Navier-Stokes equation. An unstructured finite volume method is used to discretize the governing equations. The free surface is tracked by dynamically adapting the mesh and making it always surface conforming. A mesh-smoothing scheme based on the spring analogy is also implemented to ensure mesh quality throughout the computaiton. Studies are performed on the sloshing response of a liquid in an elastic container subjected to various excitation frequencies. Further investigations are also carried out on the critical frequency that leads to large deformation of the tank walls. Another numerical simulation involves the free-surface flow past as submerged obstacle placed in the tank to show the flow separation and vortices. All these cases demonstrate the capability of this numerical method in modelling complicated practical problems.

Experimental Investigation On The Holdup Distribution Of Oil-Water Two-Phase Flow In Horizontal Parallel Tubes

An experimental investigation was conducted to study the holdup distribution of oil and water two-phase flow in two parallel tubes with unequal tube diameter. Tests were performed using white oil (of viscosity 52 mPa s and density 860 kg/m(3)) and tap water as liquid phases at room temperature and atmospheric outlet pressure. Measurements were taken of water flow rates from 0.5 to 12.5 m(3)/h and input oil volume fractions from 3 to 94 %. Results showed that there were different flow pattern maps between the run and bypass tubes when oil-water two-phase flow is found in the parallel tubes. At low input fluid flow rates, a large deviation could be found on the average oil holdup between the bypass and the run tubes. However, with increased input oil fraction at constant water flow rate, the holdup at the bypass tube became close to that at the run tube. Furthermore, experimental data showed that there was no significant variation in flow pattern and holdup between the run and main tubes. In order to calculate the holdup in the form of segregated flow, the drift flux model has been used here.

Studies on two-phase co-current air/non-Newtonian shear-thinning fluid flows in inclined smooth pipes

In this work. co-current flow characteristics of air/non-Newtonian liquid systems in inclined smooth pipes are studied experimentally and theoretically using transparent tubes of 20, 40 and 60 turn in diameter. Each tube includes two 10 m lone pipe branches connected by a U-bend that is capable of being inclined to any angle, from a completely horizontal to a fully vertical position. The flow rate of each phase is varied over a wide range. The studied flow phenomena are bubbly, plug flow, slug flow, churn flow and annular flow. These are observed and recorded by a high flow. stratified flow. -speed camera over a wide range of operating conditions. The effects of the liquid phase properties, the inclination angle and the pipe diameter on two-phase flow characteristics are systematically studied. The Heywood-Charles model for horizontal flow was modified to accommodate stratified flow in inclined pipes, taking into account the average void fraction and pressure drop of the mixture flow of a gas/non-Newtonian liquid. The pressure drop gradient model of Taitel and Barnea for a gas/Newtonian liquid slug flow was extended to include liquids possessing shear-thinning flow behaviour in inclined pipes. The comparison of the predicted values with the experimental data shows that the models presented here provide a reasonable estimate of the average void fraction and the corresponding pressure drop for the mixture flow of a gas/ non-Newtonian liquid. (C) 2007 Elsevier Ltd. All rights reserved.

Collective evolution characteristics and computer simulation of short fatigue cracks

Fatigue testing was conducted using a kind of triangular isostress specimen to obtain the short-fatigue-crack behaviour of a weld low-carbon steel. The experimental results show that short cracks continuously initiate at slip bands within ferrite grain domains and the crack number per unit area gradually increases with increasing number of fatigue cycles. The dispersed short cracks possess an orientation preference, which is associated with the crystalline orientation of the relevant slip system. Based on the observed collective characteristics, computer modelling was carried out to simulate the evolution process of initiation, propagation and coalescence of short cracks. The simulation provides progressive displays which imitate the appearance of experimental observations. The results of simulation indicate that the crack path possesses a stable value of fractal dimension whereas the critical value of percolation covers a wide datum band, suggesting that the collective evolution process of short cracks is sensitive to the pattern of crack site distribution.

Flow similariy applied in convection-based tilt sensor

The environment temperature has inevitable effects on property of the convect ion-based tilt sensors. It not only redefines the application, but also prevents the improvement of the sensor performance. Numerical simulation of the fluid flow in the chamber of a sensor was performed and the influence of the environment temperature was studied in this paper. At zero tilt angle, the temperature distribution along the perpendicular line cross the heat source at various environment temperatures was presented. It was found that the flow varied dramatically at different environment temperatures, which would cause the output signal vary accordingly, even when the tilt angle was kept at a constant, because this device works by sensing the change of flow. At the same condition, we present the numerical results when the temperature difference across the heat source and the environment was kept at the same, in those results, it was found that the temperature difference at every point along the perpendicular line cross the heat source keep the same, this result confirms the similarity principle of nature convection. Second, A method of eliminating environment temperature infect on property of convect ion-based tilt sensor, which is based on the theory of flow similarity, is proposed. It was found that a thermal transistance can be piped on the circuit of heat source to compensate the temperature of the heat source. A compensative circuit was specially designed which can keep flow similarity by changing heat source temperature in order to eliminate the influence of environment temperature. The experiment results show that above 70% temperature drift can be eliminated by this compensative circuit.