Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Explorations of electric-current system in solar active regions .1. Empirical inferences of the current flows

In this paper we explore techniques to identify sources of electric current systems and their channels of flow in solar active regions. Measured photospheric vector magnetic fields (VMF) together with high-resolution white-light and H filtergrams provide the data base to derive the current systems in the photosphere and chromosphere. Simple mathematical constructions of fields and currents are also adopted to understand these data. As an example, the techniques are then applied to infer current systems in AR 2372 in early April 1980. The main results are: (i) In unipolar sunspots the current density may reach values of 103 CGSE, and the Lorentz force on it can accelerate the Evershed flow, (ii) Spots exhibiting significant spiral pattrn in the penumbral filaments are the sources of vertical major currents at the photospheric surface, (iii) Magnetic neutral lines where the transverse field was strongly sheared were channels along which strong current system flows, (iv) The inferred current systems produced oppositely-flowing currents in the area of the delta configuration that was the site of flaring in AR 2372.

Gastropods on submersed macrophytes in Yangtze lakes: Community characteristics and empirical modelling

Epiphytic gastropods in Yangtze lakes have suffered from large-scale declines of submersed macrophytes during past decades. To better understand what controls gastropod community, monthly investigations were carried out in four Yangtze lakes during December, 2001-March, 2003. Composed of 23 species belonging to Pulmonata and Prosobranchia, the community is characterized by the constitution of small individuals. The average density and biomass were 417 +/- 160 ind/m(2) and 18.05 +/- 7.43 g/m(2), with maxima a-round August. Submersed macrophyte biomass is shown to be the key factor affecting species number, density, and biomass of gastropods. Accordingly, a series of annual and seasonal models yielding high predictive powers were generated. Preference analyses demonstrated that pulmonates and prosobranchs with different respiratory organs prefer different macrophyte functional groups.

Investigation of Interfacial Tensions for Carbon Dioxide Aqueous Solutions by Perturbed-Chain Statistical Associating Fluid Theory Combined with Density-Gradient Theory

The perturbed-chain statistical associating fluid theory and density-gradient theory are used to construct an equation of state (EOS) applicable for the phase behaviors of carbon dioxide aqueous solutions. With the molecular parameters and influence parameters respectively regressed from bulk properties and surface tensions of pure fluids as input, both the bulk and interfacial properties of carbon dioxide aqueous solutions are satisfactorily correlated by adjusting the binary interaction parameter (k(ij)). Our results show that the constructed EOS is able to describe the interfacial properties of carbon dioxide aqueous solutions in a wide temperature range, and illustrate the influences of temperature, pressure, and densities in each phase on the interfacial properties.

Non-Gravitational Effects with Density-Matching in Evaluating the Influence of Sedimentation on Colloidal Coagulation

The method of density matching between the solid and liquid phases is often adopted to effectively eliminate the effect of sedimentation of suspensions in studies on dynamic behaviour of a colloidal system. However, the associated changes in the solvent composition may bring side effects to the properties investigated and therefore might lead to a faulty conclusion if the relevant correction is not made. To illustrate the importance of this side effect, we present an example of the sedimentation influence on the coagulation rate of suspensions of 2 μm (diameter) polystyrene. The liquid mixtures, in the proper proportions of water (H2O), deuterium oxide (D2O) and methanol (MeOH) as the liquid phase, density-matched and unmatched experiments are performed. Besides the influence of viscosity, the presence of methanol in solvent media, used to enhance the sedimentation effect, causes significant changes (reduction) in rapid coagulation rates compared to that in pure water. Without the relevant corrections for those non-gravitational factors it seems that gravitational sedimentation would retard the coagulation. The magnitude of the contribution from the non-gravitational factor is quantitatively determined, making the relevant correction possible. After necessary corrections for all factors, our experiments show that the influence of the sedimentation on coagulation rates at the initial stage of the coagulation is not observable.

Interferometric Measurement of Density in Nonstationary Shock Wave Reflection Flow and Comparison with CFD

We present density measurements from the application of interferometry and Fourier transform fringe analysis to the problem of nonstationary shock wave reflection over a semicircular cylinder and compare our experimental measurements to theoretical results from a CFD simulation of the same problem. The experimental results demonstrate our ability to resolve detailed structure in this complex shock wave reflection problem, allowing visualization of multiple shocks in the vicinity of the triple point, plus visualization of the shear layer and an associated vortical structure. Comparison between CFD and experiment show significant discrepancies with experiment producing a double Mach Reflection when CFD predicts a transitional Mach reflection.

An analysis on overall crack-number-density of short-fatigue-cracks

The evolution of dispersed short-fatigue-cracks is analysed based on the equilibrium of crack-number-density (CND). By separating the mean value and the stochastic fluctuation of local CND, the equilibrium equation of overall CND is derived. Comparing with the mean-field equilibrium equation, the equilibrium equation of overall CND has different forms in the expression of crack-nucleation-rate or crack-growth-rate. The simulation results are compared with experimental measurements showing the stochastic analyses provide consistent tendency with experiments. The discrepancy in simulation results between overall CND and mean-field CND is discussed.

An analysis of collective damage for short fatigue cracks based on equilibrium of crack numerical density

Collective damage of short fatigue cracks was analyzed in the light of equilibrium of crack numerical density. With the estimation of crack growth rate and crack nucleation rate, the solution of the equilibrium equation was studied to reveal the distinct feature of saturation distribution for crack numerical density. The critical time that characterized the transition of short and long-crack regimes was estimated, in which the influences of grain size and grain-boundary obstacle effect were investigated. Furthermore, the total number of cracks and the first order of damage moment were discussed.

A New Ignition Criterion Based Upon a Critical Thermal Energy Density

It has long been known that various ignition criteria of energetic materials have been limited in applicability to small regions. In order to explore the physical nature of ignition, we calculated how much thermal energy per unit mass of energetic materials was absorbed under different external stimuli. Hence, data of several typical sensitivity tests were analyzed by order of magnitude estimation. Then a new concept on critical thermal energy density was formulated. Meanwhile, the chemical nature of ignition was probed into by chemical kinetics.

A Semi-Empirical Equation of Penetration Depth on Concrete Target Impacted by Ogive-Nose Projectiles

In this paper, the penetration process of ogive-nose projectiles into the semi-infinite concrete target is investigated by the dimensional analysis method and FEM simulation. With the dimensional analysis, main non-dimensional parameters which control the penetration depth are obtained with some reasonable hypothesis. Then, a new semi-empirical equation is present based on the original work of Forrestal et al., has only two non-dimensional combined variables with definite physical meanings. To verify this equation, prediction results are compared with experiments in a wide variation region of velocity. Then, a commercial FEM code, LS-DYNA, is used to simulate the complex penetration process, that also show the novel semi-empirical equation is reasonable for determining the penetration depth in a concrete target.

Probe for Measurements of Density/Conductivity in Flows of Conducting Fluids

A probe utilizing the bipolar pulse method to measure the density of a conducting fluid has been developed. The probe is specially designed such that the concentration of a stream tube can be sampled continuously. The density was determined indirectly from the measurement of solution conductivity. The probe was calibrated using standard NaCl solutions of varying molarity and was able to rapidly determine the density of a fluid with continuously varying conductance. Measurements of the conductivity profiles, corresponding density profiles, and their fluctuation levels are demonstrated in a channel flow with an electrolyte injected from a slot in one wall.

(Ti,Al)N Film On Normalized T8 Carbon Tool Steel Prepared By Pulsed High Energy Density Plasma Technique

Under optimized operating parameters, a hard and wear resistant ( Ti,Al)N film is prepared on a normalized T8 carbon tool steel substrate by using pulsed high energy density plasma technique. Microstructure and composition of the film are analysed by x-ray diffraction, x-ray photoelectron spectroscopy, Auger electron spectroscopy and scanning electron microscopy. Hardness profile and tribological properties of the film are tested with nano-indenter and ring-on-ring wear tester, respectively. The tested results show that the microstructure of the film is dense and uniform and is mainly composed of ( Ti,Al)N and AlN hard phases. A wide transition interface exists between the film and the normalized T8 carbon tool steel substrate. Thickness of the film is about 1000 nm and mean hardness value of the film is about 26GPa. Under dry sliding wear test conditions, relative wear resistance of the ( Ti,Al)N film is approximately 9 times higher than that of the hardened T8 carbon tool steel reference sample. Meanwhile, the ( Ti,Al)N film has low and stable friction coefficient compared with the hardened T8 carbon tool steel reference sample.

Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno

We report a previously unknown body-centered-tetragonal structure for ZnO. This structure results from a phase transformation from wurtzite in [0001]-oriented nanorods during uniaxial tensile loading and is the most stable phase for ZnO when stress is above 7 GPa. The stress-induced phase transformation has important implications for the electronic, piezoelectric, mechanical, and thermal responses of ZnO. The discovery of this polymorph brings about a more complete understanding of the extent and nature of polymorphism in ZnO. A crystalline structure-load triaxiality map is developed to summarize the relationship between structure and loading.

Regularity of strain distribution in short-fiber/whisker reinforced composites

Based on studies on the strain distribution in short-fiber/whisker reinforced metal matrix composites, a deformation characteristic parameter, lambda is defined as a ratio of root-mean-square strain of the reinforcers identically oriented to the macro-linear strain along the same direction. Quantitative relation between lambda and microstructure parameters of composites is obtained. By using lambda, the stiffness moduli of composites with arbitrary reinforcer orientation density function and under arbitrary loading condition are derived. The upper-bound and lower-bound of the present prediction are the same as those from the equal-strain theory and equal-stress theory, respectively. The present theory provides a physical explanation and theoretical base for the present commonly-used empirical formulae. Compared with the microscopic mechanical theories, the present theory is competent for stiffness modulus prediction of practical engineering composites in accuracy and simplicity.