Search results for: Compressible lattice Boltzmann metho-

Authors: Tomio Iwasaki, Yosuke Kawahito

Abstract:

The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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Authors: Amir Reza Ghahremani, Salman SafariMohsenabad, Mohammad Behshad Shafii

Abstract:

To achieve reliable solutions, today-s numerical and experimental activities need developing more accurate methods and utilizing expensive facilities, respectfully in microchannels. The analytical study can be considered as an alternative approach to alleviate the preceding difficulties. Among the analytical solutions, those with high robustness and low complexities are certainly more attractive. The perturbation theory has been used by many researchers to analyze microflows. In present work, a compressible microflow with constant heat flux boundary condition is analyzed. The flow is assumed to be fully developed and steady. The Mach and Reynolds numbers are also assumed to be very small. For this case, the creeping phenomenon may have some effect on the velocity profile. To achieve robustness solution it is assumed that the flow is quasi-isothermal. In this study, the creeping term which appears in the slip boundary condition is formulated by different mathematical formulas. The difference between this work and the previous ones is that the creeping term is taken into account and presented in non-dimensionalized form. The results obtained from perturbation theory are presented based on four non-dimensionalized parameters including the Reynolds, Mach, Prandtl and Brinkman numbers. The axial velocity, normal velocity and pressure profiles are obtained. Solutions for velocities and pressure for two cases with different Br numbers are compared with each other and the results show that the effect of creeping phenomenon on the velocity profile becomes more important when Br number is less than O(ε).

Keywords: Creeping Effect, Microflow, Slip, Perturbation.

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Authors: Andreas Körtge, Susanne Stählke, Regina Lange, Mario Birkholz, Mirko Fraschke, Katrin Schulz, Barbara Nebe, Patrick Elter

Abstract:

A major challenge in biomaterials research is the regulation of protein adsorption which is a key factor for controlling the subsequent cell adhesion at implant surfaces. The aim of the present study was to control the adsorption of fibronectin (FN) and the attachment of MG-63 osteoblasts with an electronic nanostructure. Shallow doping line lattices with a period of 260 nm were produced for this purpose by implantation of phosphorous in silicon wafers. Protein coverage was determined after incubating the substrate with FN by means of an immunostaining procedure and the measurement of the fluorescence intensity with a TECAN analyzer. We observed an increased amount of adsorbed FN on the nanostructure compared to control substrates. MG-63 osteoblasts were cultivated for 24h on FN-incubated substrates and their morphology was assessed by SEM. Preferred orientation and elongation of the cells in direction of the doping lattice lines was observed on FN-coated nanostructures.

Keywords: Cell adhesion, electronic nanostructures, doping lattice, fibronectin, MG-63 osteoblasts, protein adsorption.

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Authors: A. Moradi, S. Khodadadiyan

Abstract:

In this paper, one-dimensional analysis of flow in a single-stage gas gun is conducted. The compressible inviscid flow equations are numerically solved by the second-order Roe TVD method, by using moving boundaries. For investigation of real gas effect the Noble-Able equation is applied. The numerical results are compared with the experimental data to validate the numerical scheme. The results show that with using the Noble-Able equation, the muzzle velocity decreases.

Keywords: Gas gun, Roe, projectile, muzzle velocity

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Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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Authors: A. Amar

Abstract:

A new model namely, the crystal model, has been modified to calculate radius and density distribution of light nuclei up to 8Be. The crystal model has been modified according to solid state physics which uses the analogy between nucleon distribution and atoms distribution in the crystal. The model has analytical analysis to calculate the radius where the density distribution of light nuclei has been obtained from the analogy of crystal lattice. The distribution of nucleons over crystal has been discussed in general form. The equation used to calculate binding energy was taken from the solid-state model of repulsive and attractive force. The numbers of the protons were taken to control repulsive force where the atomic number was responsible for the attractive force. The parameter has been calculated from the crystal model was found to be proportional to the radius of the nucleus. The density distribution of light nuclei was taken as a summation of two clusters distribution as in 6Li=alpha+deuteron configuration. A test has been done on the data obtained for radius and density distribution using double folding for d+6,7Li with M3Y nucleon-nucleon interaction. Good agreement has been obtained for both radius and density distribution of light nuclei. The model failed to calculate the radius of 9Be, so modifications should be done to overcome discrepancy.

Keywords: nuclear lattice, crystal model, light nuclei, nuclear density distributions

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Authors: Hamid Reza Pakzad

Abstract:

Dust acoustic solitary waves are studied in warm dusty plasma containing negatively charged dusts, nonthermal ions and Boltzmann distributed electrons. Sagdeev pseudopotential method is used in order to investigate solitary wave solutions in the plasmas. The existence of compressive and rarefractive solitons is studied.

Keywords: Nonthermal, Soliton, Dust, Sagdeev potential

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Authors: N. H. Abd Raof, H. Abu Hassan, S.K. Mohd Bakhori, S. S. Ng, Z. Hassan

Abstract:

Quaternary InxAlyGa1-x-yN semiconductors have attracted much research interest because the use of this quaternary offer the great flexibility in tailoring their band gap profile while maintaining their lattice-matching and structural integrity. The structural and optical properties of InxAlyGa1-x-yN alloys grown by molecular beam epitaxy (MBE) is presented. The structural quality of InxAlyGa1-x-yN layers was characterized using high-resolution X-ray diffraction (HRXRD). The results confirm that the InxAlyGa1-x-yN films had wurtzite structure and without phase separation. As the In composition increases, the Bragg angle of the (0002) InxAlyGa1-x-yN peak gradually decreases, indicating the increase in the lattice constant c of the alloys. FWHM of (0002) InxAlyGa1-x-yN decreases with increasing In composition from 0 to 0.04, that could indicate the decrease of quality of the samples due to point defects leading to non-uniformity of the epilayers. UV-VIS spectroscopy have been used to study the energy band gap of InxAlyGa1-x-yN. As the indium (In) compositions increases, the energy band gap decreases. However, for InxAlyGa1-x-yN with In composition of 0.1, the band gap shows a sudden increase in energy. This is probably due to local alloy compositional fluctuations in the epilayer. The bowing parameter which appears also to be very sensitive on In content is investigated and obtained b = 50.08 for quaternary InxAlyGa1-x-yN alloys. From photoluminescence (PL) measurement, green luminescence (GL) appears at PL spectrum of InxAlyGa1-x-yN, emitted for all x at ~530 nm and it become more pronounced as the In composition (x) increased, which is believed cause by gallium vacancies and related to isolated native defects.

Keywords: HRXRD, nitrides, PL, quaternary, UV-VIS.

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Authors: Marcelo Hayashi, João Lima, Bruno Chieregatti, Ernani Volpe

Abstract:

The adjoint method has been used as a successful tool to obtain sensitivity gradients in aerodynamic design and optimisation for many years. This work presents an alternative approach to the continuous adjoint formulation that enables one to compute gradients of a given measure of merit with respect to control parameters other than those pertaining to geometry. The procedure is then applied to the steady 2–D compressible Euler and incompressible Navier–Stokes flow equations. Finally, the results are compared with sensitivities obtained by finite differences and theoretical values for validation.

Keywords: Adjoint method, optimisation, non–geometric sensitivities, boundary conditions.

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Authors: Pankaj, Sonia R. Bansal

Abstract:

Stresses for the elastic-plastic transition and fully plastic state have been derived for a thin rotating disc with inclusion and results have been discussed numerically and depicted graphically. It has been observed that the rotating disc with inclusion and made of compressible material requires lesser angular speed to yield at the internal surface whereas it requires higher percentage increase in angular speed to become fully plastic as compare to disc made of incompressible material.

Keywords: Angular speed, Elastic-Plastic, Inclusion, Rotatingdisc, Stress, Transition.

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Authors: Hani Baek, Gwang Min Sun, Chansun Shin, Sung Ho Ahn

Abstract:

Fast neutron irradiation using nuclear reactors is an effective method to improve switching loss and short circuit durability of power semiconductor (insulated gate bipolar transistors (IGBT) and insulated gate transistors (IGT), etc.). However, not only fast neutrons but also thermal neutrons, epithermal neutrons and gamma exist in the nuclear reactor. And the electrical properties of the IGBT may be deteriorated by the irradiation of gamma. Gamma irradiation damages are known to be caused by Total Ionizing Dose (TID) effect and Single Event Effect (SEE), Displacement Damage. Especially, the TID effect deteriorated the electrical properties such as leakage current and threshold voltage of a power semiconductor. This work can confirm the effect of the gamma irradiation on the electrical properties of 600 V NPT-IGBT. Irradiation of gamma forms lattice defects in the gate oxide and Si-SiO₂ interface of the IGBT. It was confirmed that this lattice defect acts on the center of the trap and affects the threshold voltage, thereby negatively shifted the threshold voltage according to TID. In addition to the change in the carrier mobility, the conductivity modulation decreases in the n-drift region, indicating a negative influence that the forward voltage drop decreases. The turn-off delay time of the device before irradiation was 212 ns. Those of 2.5, 10, 30, 70 and 100 kRad(Si) were 225, 258, 311, 328, and 350 ns, respectively. The gamma irradiation increased the turn-off delay time of the IGBT by approximately 65%, and the switching characteristics deteriorated.

Keywords: NPT-IGBT, gamma irradiation, switching, turn-off delay time, recombination, trap center.

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Authors: A. Abdalla, A. Kaltayev

Abstract:

This article presents the boundary conditions for the problem of turbulent supersonic gas flow in a plane channel with a perpendicular injection jets. The non-reflection boundary conditions for direct modeling of compressible viscous gases are studied. A formulation using the NSCBC (Navier- Stocks characteristic boundary conditions) through boundaries is derived for the subsonic inflow and subsonic non-reflection outflow situations. Verification of the constructed algorithm of boundary conditions is carried out by solving a test problem of perpendicular sound of jets injection into a supersonic gas flow in a plane channel.

Keywords: WENO scheme, non-reflection boundary conditions, NSCBC, supersonic flow.

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Authors: Ilya Popov, Steven Hulshoff

Abstract:

A numerical investigation of the effects of nanosecond barrier discharge on the stability of a two-dimensional free shear layer is performed. The computations are carried out using a compressible Navier-Stokes algorithm coupled with a thermodynamic model of the discharge. The results show that significant increases in the shear layer-s momentum thickness and Reynolds stresses occur due to actuation. Dependence on both frequency and amplitude of actuation are considered, and a comparison is made of the computed growth rates with those predicted by linear stability theory. Amplitude and frequency ranges for the efficient promotion of shear-layer instabilities are identified.

Keywords: NS-DBD, plasma, actuator, flow control, instability, shear layer

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Authors: Ashish R. Tanna, Hiren H. Joshi

Abstract:

The mineral having chemical compositional formula MgAl2O4 is called “spinel". The ferrites crystallize in spinel structure are known as spinel-ferrites or ferro-spinels. The spinel structure has a fcc cage of oxygen ions and the metallic cations are distributed among tetrahedral (A) and octahedral (B) interstitial voids (sites). The X-ray diffraction (XRD) intensity of each Bragg plane is sensitive to the distribution of cations in the interstitial voids of the spinel lattice. This leads to the method of determination of distribution of cations in the spinel oxides through XRD intensity analysis. The computer program for XRD intensity analysis has been developed in C language and also tested for the real experimental situation by synthesizing the spinel ferrite materials Mg0.6Zn0.4AlxFe2- xO4 and characterized them by X-ray diffractometry. The compositions of Mg0.6Zn0.4AlxFe2-xO4(x = 0.0 to 0.6) ferrites have been prepared by ceramic method and powder X-ray diffraction patterns were recorded. Thus, the authenticity of the program is checked by comparing the theoretically calculated data using computer simulation with the experimental ones. Further, the deduced cation distributions were used to fit the magnetization data using Localized canting of spins approach to explain the “recovery" of collinear spin structure due to Al3+ - substitution in Mg-Zn ferrites which is the case if A-site magnetic dilution and non-collinear spin structure. Since the distribution of cations in the spinel ferrites plays a very important role with regard to their electrical and magnetic properties, it is essential to determine the cation distribution in spinel lattice.

Keywords: Spinel ferrites, Localized canting of spins, X-ray diffraction, Programming in Borland C.

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Authors: N. Dahbi, M. Daoudi, A.Belghachi

Abstract:

The present work deals with the calculation of transport properties of Hg0.8Cd0.2Te (MCT) semiconductor in degenerate case. Due to their energy-band structure, this material becomes degenerate at moderate doping densities, which are around 1015 cm-3, so that the usual Maxwell-Boltzmann approximation is inaccurate in the determination of transport parameters. This problem is faced by using Fermi-Dirac (F-D) statistics, and the non-parabolic behavior of the bands may be approximated by the Kane model. The Monte Carlo (MC) simulation is used here to determinate transport parameters: drift velocity, mean energy and drift mobility versus electric field and the doped densities. The obtained results are in good agreement with those extracted from literature.

Keywords: degeneracy case, Hg0.8Cd0.2Te semiconductor, Monte Carlo simulation, transport parameters.

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Authors: Ahmet Z. Ozcelik, Serkan Narli

Abstract:

In this study, a minimal submaximal element of LIT(X) (the lattice of all intuitionistic topologies for X, ordered by inclusion) is determined. Afterwards, a new contractive property, intuitionistic mega-connectedness, is defined. We show that the submaximality and mega-connectedness are not complementary intuitionistic topological invariants by identifying those members of LIT(X) which are intuitionistic mega-connected.

Keywords: Intuitionistic set; intuitionistic topology;intuitionistic submaximality and mega-connectedness.

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Authors: Binod Kumar Saha

Abstract:

The objective of the present paper is a numerical analysis of the flow forces acting on spool surfaces of a pressure regulated valve. The transient, compressible and turbulent flow structures inside the valve are simulated using ANSYS FLUENT coupled with a special UDF. Here, valve inlet pressure is varied in a stepwise manner. For every value of inlet pressure, transient analysis leads to a quasi-static flow through the valve. Spool forces are calculated based on different pressures at inlet. From this information of spool forces, pressure characteristic of the passive control circuit has been derived.

Keywords: Pressure Regulating Valve, Spool Opening, Spool Movement, Force Balance, CFD.

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Authors: M. Hanif, M. Salik

Abstract:

In the present research work we present the optical emission studies of the Indium (In) – Tin (Sn) plasma produced by the first (1064 nm) harmonic of an Nd: YAG nanosecond pulsed laser. The experimentally observed line profiles of neutral Indium (In I) and Tin (SnI) are used to extract the electron temperature (Te) using the Boltzmann plot method. Whereas, the electron number density (Ne) has been determined from the Stark broadening line profile method. The Te is calculated by varying the distance from the target surface along the line of propagation of plasma plume and also by varying the laser irradiance. Beside we have studied the variation of Ne as a function of laser irradiance as well as its variation with distance from the target surface.

Keywords: Indium – Tin plasma, laser ablation, optical emission spectroscopy, electron temperature, and electron number density.

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Authors: Basudev Ghosh, Sreyasi Banerjee

Abstract:

Using pseudo potential method arbitrary amplitude ion-acoustic solitary waves have been theoretically studied in a collisionless plasma consisting of warm drifting positive ions, Boltzmann positrons and nonthermal electrons. Ion-acoustic solitary wave solutions have been obtained and the dependence of the solitary wave profile on different plasma parameters has been studied numerically. Lower and higher order compressive and rarefactive solitary waves are observed in presence of positrons, nonthermal electrons, ion drift velocity and finite ion temperature. Inclusion of higher order nonlinearity is shown to have significant correction to the solitary wave profile for the same values of plasma parameters.

Keywords: Ion-acoustic waves, Nonthermal electrons, Sagdeev potential, Solitary waves.

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Authors: Samir Osman M., Mohammed Hassan S.

Abstract:

Sample of CsAg2I3 was prepared by solid state reaction. Then, microstructure parameters of this sample have been determined using wide angle X-ray scattering WAXS method. As well as, Cell parameters of crystal structure have been refined using CHEKCELL program. This analysis states that the lattice intrinsic strainof the sample is so small and the crystal size is on the order of 559Å.

Keywords: WAXS, Microstructure parameters, super-ionic conductor.

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Authors: A. M. Tahsini, S. Tadayon Mousavi

Abstract:

The purpose of the present study is to analyze the effect of the target plate-s curvature on the heat transfer in laminar confined impinging jet flows. Numerical results from two dimensional compressible finite volume solver are compared between three different shapes of impinging plates: Flat, Concave and Convex plates. The remarkable result of this study proves that the stagnation Nusselt number in laminar range of Reynolds number based on the slot width is maximum in convex surface and is minimum in concave plate. These results refuse the previous data in literature stating the amount of the stagnation Nusselt number is greater in concave surface related to flat plate configuration.

Keywords: Concave, Convex, Heat transfer, Impinging jet, Laminar flow.

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Authors: A. M. Tahsini

Abstract:

The Spalart and Allmaras turbulence model has been implemented in a numerical code to study the compressible turbulent flows, which the system of governing equations is solved with a finite volume approach using a structured grid. The AUSM+ scheme is used to calculate the inviscid fluxes. Different benchmark problems have been computed to validate the implementation and numerical results are shown. A special Attention is paid to wall jet applications. In this study, the jet is submitted to various wall boundary conditions (adiabatic or uniform heat flux) in forced convection regime and both two-dimensional and axisymmetric wall jets are considered. The comparison between the numerical results and experimental data has given the validity of this turbulence model to study the turbulent wall jets especially in engineering applications.

Keywords: Wall Jet, Heat transfer, Numerical Simulation, Spalart-Allmaras Turbulence model.

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Authors: Alpana Tiwari, N. K. Gaur

Abstract:

We have incorporated the translational rotational (TR) coupling effects in the framework of three body force shell model (TSM) to develop an extended TSM (ETSM). The dynamical matrix of ETSM has been applied to compute the phonon frequencies of orientationally disordered mixed crystal (ND4Br)x(KBr)1-x in (q00), (qq0) and (qqq) symmetry directions for compositions 0.10≤x≤0.50 at T=300K.These frequencies are plotted as a function of wave vector k. An unusual acoustic mode softening is found along symmetry directions (q00) and (qq0) as a result of translation-rotation coupling.

Keywords: Orientational glass, phonons, TR-coupling.

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Authors: R.S Pugazenthi, Andy C. McIntosh

Abstract:

Plasma Wind Tunnels (PWT) are extensively used for screening and qualification of re-entry Thermel Protection System (TPS) materials. Proper design of a supersonic diffuser for plasma wind tunnel is of importance for achieving good pressurerecovery (thereby reducing vacuum pumping requirement & run time costs) and isolating downstream stream fluctuations from propagating costs) and isolating downstream stream fluctuationnts the details of a rapid design methodology successfully employed for designing supersonic diffuser for high power (several megawatts)plasma wind tunnels and numerical performance analysis of a diffuser configuration designed for one megawatt power rated plasma wind tunnel(enthalpy ~ 30 MJ/kg) using FLUENT 6.3® solver for different diffuser operating sub-atmospheric back-pressures.

Keywords: Compressible flow, plasma wind tunnel, re-entry, supersonic diffuser

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Authors: Muhammad Amjad Sohail, Rizwan Ullah

Abstract:

This research paper presents the CFD analysis of oscillating airfoil during pitch cycle. Unsteady subsonic flow is simulated for pitching airfoil at Mach number 0.283 and Reynolds number 3.45 millions. Turbulent effects are also considered for this study by using K-ω SST turbulent model. Two-dimensional unsteady compressible Navier-Stokes code including two-equation turbulence model and PISO pressure velocity coupling is used. Pressure based implicit solver with first order implicit unsteady formulation is used. The simulated pitch cycle results are compared with the available experimental data. The results have a good agreement with the experimental data. Aerodynamic characteristics during pitch cycles have been studied and validated.

Keywords: Angle of attack, Centre of pressure, subsonic flow, pitching moment coefficient, turbulence mode

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Authors: Li Long, Thomas Ortlepp

Abstract:

The transport properties of carriers in polycrystalline silicon film affect the performance of polycrystalline silicon-based devices. They depend strongly on the grain structure, grain boundary trap properties and doping concentration, which in turn are determined by the film deposition and processing conditions. Based on the properties of charge carriers, phonons, grain boundaries and their interactions, the thermoelectric properties of polycrystalline silicon are analyzed with the relaxation time approximation of the Boltzmann transport equation. With this approach, thermal conductivity, electrical conductivity and Seebeck coefficient as a function of grain size, trap properties and doping concentration can be determined. Experiment on heavily doped polycrystalline silicon is carried out and measurement results are compared with the model.

Keywords: Conductivity, polycrystalline silicon, relaxation time approximation, Seebeck coefficient, thermoelectric property.

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Authors: Kuan-Liang Liu, Eric Lee, Jung-Jyh Lee, Jyh-Ping Hsu

Abstract:

The electrical interaction between two axisymmetric spheroidal particles in an electrolyte solution is examined numerically. A Galerkin finite element method combined with a Newton-Raphson iteration scheme is proposed to evaluate the spatial variation in the electrical potential, and the result obtained used to estimate the interaction energy between two particles. We show that if the surface charge density is fixed, the potential gradient is larger at a point, which has a larger curvature, and if surface potential is fixed, surface charge density is proportional to the curvature. Also, if the total interaction energy against closest surface-to-surface curve exhibits a primary maximum, the maximum follows the order (oblate-oblate) > (sphere-sphere)>(oblate-prolate)>(prolate-prolate), and if the curve has a secondary minimum, the absolute value of the minimum follows the same order.

Keywords: interaction energy, interaction force, Poisson-Boltzmann equation, spheroid.

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Authors: Sheng-Hsiu Kuo, Pao-Hsiung Chiu, Reui-Kuo Lin, Yan-Ting Lin

Abstract:

A one-step conservative level set method, combined with a global mass correction method, is developed in this study to simulate the incompressible two-phase flows. The present framework do not need to solve the conservative level set scheme at two separated steps, and the global mass can be exactly conserved. The present method is then more efficient than two-step conservative level set scheme. The dispersion-relation-preserving schemes are utilized for the advection terms. The pressure Poisson equation solver is applied to GPU computation using the pCDR library developed by National Center for High-Performance Computing, Taiwan. The SMP parallelization is used to accelerate the rest of calculations. Three benchmark problems were done for the performance evaluation. Good agreements with the referenced solutions are demonstrated for all the investigated problems.

Keywords: Conservative level set method, two-phase flow, dispersion-relation-preserving, graphics processing unit (GPU), multi-threading.

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Authors: Fatma Ghangir, Andrzej F. Nowakowski, Franck C. G. A. Nicolleau, Thomas M. Michelitsch

Abstract:

The performance of high-resolution schemes is investigated for unsteady, inviscid and compressible multiphase flows. An Eulerian diffuse interface approach has been chosen for the simulation of multicomponent flow problems. The reduced fiveequation and seven equation models are used with HLL and HLLC approximation. The authors demonstrated the advantages and disadvantages of both seven equations and five equations models studying their performance with HLL and HLLC algorithms on simple test case. The seven equation model is based on two pressure, two velocity concept of Baer–Nunziato [10], while five equation model is based on the mixture velocity and pressure. The numerical evaluations of two variants of Riemann solvers have been conducted for the classical one-dimensional air-water shock tube and compared with analytical solution for error analysis.

Keywords: Multiphase flow, gas-liquid flow, Godunov schems, Riemann solvers, HLL scheme, HLLC scheme.

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Authors: Evgeniy Burlutskiy

Abstract:

The paper presents a one-dimensional transient mathematical model of compressible thermal multi-component gas mixture flows in pipes. The set of the mass, momentum and enthalpy conservation equations for gas phase is solved. Thermo-physical properties of multi-component gas mixture are calculated by solving the Equation of State (EOS) model. The Soave-Redlich-Kwong (SRK-EOS) model is chosen. Gas mixture viscosity is calculated on the basis of the Lee-Gonzales-Eakin (LGE) correlation. Numerical analysis on rapid decompression in conventional dry gases is performed by using the proposed mathematical model. The model is validated on measured values of the decompression wave speed in dry natural gas mixtures. All predictions show excellent agreement with the experimental data at high and low pressure. The presented model predicts the decompression in dry natural gas mixtures much better than GASDECOM and OLGA codes, which are the most frequently-used codes in oil and gas pipeline transport service.

Keywords: Mathematical model, Rapid Gas Decompression

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