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Computed Results (computed + result)
Selected AbstractsEffect of microcracking on the micromechanics of fatigue crack growth in austempered ductile ironFATIGUE & FRACTURE OF ENGINEERING MATERIALS AND STRUCTURES, Issue 9 2001J. Ortiz The effect of microcracking on the mechanics of fatigue crack growth in austempered ductile iron is studied in this paper. The mechanism of fatigue crack growth is modelled using the boundary element method, customized for the accurate evaluation of the interaction effects between cracks and microcracks emanating from graphite nodules. The effects of nodule size and distribution and crack closure are considered, with deviation bounds of computed results estimated through weight-function analyses. A continuum approach is employed as a means of quantifying the shielding effect of microcracking on the dominant propagating crack, due to the reduction of stiffness of the material in the neighbourhood of the crack tip. Although the results obtained may not yield actual numbers for real cases, they are in accordance with experimental observations and demonstrate how the main factors affect the crack growth of the macrocrack. [source] Evaluating MT3DMS for Heat Transport Simulation of Closed Geothermal SystemsGROUND WATER, Issue 5 2010Jozsef Hecht-Méndez Owing to the mathematical similarities between heat and mass transport, the multi-species transport model MT3DMS should be able to simulate heat transport if the effects of buoyancy and changes in viscosity are small. Although in several studies solute models have been successfully applied to simulate heat transport, these studies failed to provide any rigorous test of this approach. In the current study, we carefully evaluate simulations of a single borehole ground source heat pump (GSHP) system in three scenarios: a pure conduction situation, an intermediate case, and a convection-dominated case. Two evaluation approaches are employed: first, MT3DMS heat transport results are compared with analytical solutions. Second, simulations by MT3DMS, which is finite difference, are compared with those by the finite element code FEFLOW and the finite difference code SEAWAT. Both FEFLOW and SEAWAT are designed to simulate heat flow. For each comparison, the computed results are examined based on residual errors. MT3DMS and the analytical solutions compare satisfactorily. MT3DMS and SEAWAT results show very good agreement for all cases. MT3DMS and FEFLOW two-dimensional (2D) and three-dimensional (3D) results show good to very good agreement, except that in 3D there is somewhat deteriorated agreement close to the heat source where the difference in numerical methods is thought to influence the solution. The results suggest that MT3DMS can be successfully applied to simulate GSHP systems, and likely other systems with similar temperature ranges and gradients in saturated porous media. [source] Syntheses and spectroscopic investigation of some cyclophosphazanes: Analysis of pseudo-triplet splittingHETEROATOM CHEMISTRY, Issue 4 2006Khodayar Gholivand Some new phosphoramidates, 1,3, and the corresponding cyclophosphazanes, 4,6, with formula Cl2P(p -NHC6H4CH3) 1, Cl2P(O)(p -NHC6H4NO2) 2, (CH3)2NP(O)Cl(p -NHC6H4CH3)3, [ClP(p -NC6H4CH3)]24, [ClP(O)(p -NC6H4NO2)]25, and [(CH3)2NP(O)(p -NC6H4CH3)]26 were synthesized and characterized by 1H, 13C, 31P NMR, IR, mass spectroscopy, and elemental analysis. A pseudo-triplet signal was observed in the 1H NMR spectrum of molecule 6 for the N(CH3)2 protons. The A6A, 6X2 spin system was suggested for the pseudo-triplet pattern of 3JPNCH coupling in this molecule. Ab initio calculations were performed at the HF and B3LYP levels of theory with 6-311G** standard basis set on the geometry of compound 6. Also, the NMR chemical shift calculations were done to compare the computed results with the experimental ones. The calculated results are in good agreement with experimental data. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:337,343, 2006; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20229 [source] Load-displacement and bearing capacity of foundations on granular soils using a multi-surface kinematic constitutive soil modelINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 9 2006M. Banimahd Abstract A finite element approach based on an advanced multi-surface kinematic constitutive model is used to evaluate the bearing capacity of footings resting on granular soils. Unlike simple elastic-perfectly plastic models, often applied to granular foundation problems, the present model realistically accounts for stress dependency of the friction angle, strain softening,hardening and non-associativity. After the model and its implementation into a finite element code are briefly discussed, the numerical difficulty due to the singularity at the footing edge is addressed. The bearing capacity factor N, is then calculated for different granular materials. The effect of footing size, shape, relative density and roughness on the ultimate bearing capacity are studied and the computed results compare very favourably with the general experimental trends. In addition, it is shown that the finite element solution can clearly represent counteracting mechanisms of progressive failure which have an important effect on the bearing capacity of granular foundations. Copyright © 2006 John Wiley & Sons, Ltd. [source] Analysis of adiabatic shear bands in heat-conducting elastothermoviscoplastic materials by the meshless local Bubnov,Galerkin methodINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 10 2009R. C. Batra Abstract Transient finite coupled thermomechanical simple shearing deformations of a block made of an elastothermoviscoplastic material that exhibits strain and strain-rate hardening, and thermal softening are studied by using the meshless local Bubnov,Galerkin method. A local nonlinear weak formulation and a semidiscrete formulation of the problem are derived. The prescribed velocity at the top and the bottom surfaces of the block is enforced by using a set of Lagrange multipliers. A homogeneous solution of the problem is perturbed by superimposing on it a temperature bump at the center of the block, and the resulting nonlinear initial-boundary-value problem is solved numerically. We have developed an integration scheme to numerically integrate the set of coupled nonlinear ordinary differential equations. The inhomogeneous deformations of the block are found to concentrate in a narrow region of intense plastic deformation usually called a shear band. For a material exhibiting enhanced thermal softening, it is shown that as the shear stress within the region of localization collapses, an unloading elastic shear wave emanates outward from the edges of the shear band. In the absence of an analytical solution, the computed results have been compared with those obtained by the finite element and the modified smoothed particle hydrodynamics methods. Copyright © 2008 John Wiley & Sons, Ltd. [source] A stopping criterion for the conjugate gradient algorithm in the framework of anisotropic adaptive finite elementsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 4 2009M. Picasso Abstract We propose a simple stopping criterion for the conjugate gradient (CG) algorithm in the framework of anisotropic, adaptive finite elements for elliptic problems. The goal of the adaptive algorithm is to find a triangulation such that the estimated relative error is close to a given tolerance TOL. We propose to stop the CG algorithm whenever the residual vector has Euclidian norm less than a small fraction of the estimated error. This stopping criterion is based on a posteriori error estimates between the true solution u and the computed solution u (the superscript n stands for the CG iteration number, the subscript h for the typical mesh size) and on heuristics to relate the error between uh and u to the residual vector. Numerical experiments with anisotropic adaptive meshes show that the total number of CG iterations can be divided by 10 without significant discrepancy in the computed results. Copyright © 2008 John Wiley & Sons, Ltd. [source] Computation of the J -integral for large strainsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 12 2008Ágnes Horváth Abstract The phenomenon of failure by catastrophic crack propagation in structural materials poses problems of design and analysis in many fields of engineering. Cracks are present to some degree in all structures. They may exist as basic defects in the constituent materials or they may be induced in construction or during service life. Using the finite element method, a lot of papers deal with the calculation of stress intensity factors for two- and three-dimensional geometries containing cracks of different shapes under various loadings to elastic bodies. In order to increase the accuracy of the results, special elements have been used. They are described together with methods for calculating the stress intensity factors from the computed results. At the vicinity of a crack tip, the strains are not always small, but they may also be large. In this case, the J -integral can also be applied to characterize the cracks in elastic or elastic,plastic bodies. This paper describes the computation of the two-dimensional J -integral for large strains to elastic and elastic,plastic bodies and represents some numerical examples. Copyright © 2007 John Wiley & Sons, Ltd. [source] A modification of the artificial compressibility algorithm with improved convergence characteristicsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 4 2007Frank Muldoon Abstract The artificial compressibility algorithm has a significant drawback in the difficulty of choosing the artificial compressibility parameter, improper choice of which leads either to slow convergence or divergence. A simple modification of the equation for pressure in the artificial compressibility algorithm which removes the difficulty of choosing the artificial compressibility parameter is proposed. It is shown that the choice of the relaxation parameters for the new algorithm is relatively straightforward, and that the same values can be used to provide robust convergence for a range of application problems. This new algorithm is easily parallelized making it suitable for computations such as direct numerical simulation (DNS) which require the use of distributed memory machines. Two key benchmark problems are studied in evaluating the new algorithm: DNS of a fully developed turbulent channel flow, and DNS of a driven-cavity flow, using both explicit and implicit time integration schemes. The new algorithm is also validated for a more complex flow configuration of turbulent flow over a backward-facing step, and the computed results are shown to be in good agreement with experimental data and previous DNS work. Copyright © 2007 John Wiley & Sons, Ltd. [source] Solution of the hyperbolic mild-slope equation using the finite volume methodINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 3 2003J. Bokaris Abstract A finite volume solver for the 2D depth-integrated harmonic hyperbolic formulation of the mild-slope equation for wave propagation is presented and discussed. The solver is implemented on unstructured triangular meshes and the solution methodology is based upon a Godunov-type second-order finite volume scheme, whereby the numerical fluxes are computed using Roe's flux function. The eigensystem of the mild-slope equations is derived and used for the construction of Roe's matrix. A formulation that updates the unknown variables in time implicitly is presented, which produces a more accurate and reliable scheme than hitherto available. Boundary conditions for different types of boundaries are also derived. The agreement of the computed results with analytical results for a range of wave propagation/transformation problems is very good, and the model is found to be virtually paraxiality-free. Copyright © 2003 John Wiley & Sons, Ltd. [source] Structural, thermodynamic and other associated properties of partially ordered Ag-In alloyPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 3 2003R. Venkatesh Abstract Extensive computations have been performed using the Lebowitz solution of hard sphere mixtures as a reference system, and perturbed the hard sphere direct correlation function, COij(r), with square well attractive tail. We used mean spherical model to compute the total and partial direct correlation functions in the attractive and repulsive regions of the interacting potential of Ag,In alloy at different compositions. The potential parameters were those obtained for pure metals. With these potential parameters (the partial and total) structure factors were evaluated, and then Fourier transformed to get the partial and total radial distribution functions. Further the well-known Bhatia,Thornton correlation functions namely the number-number, concentration-concentration, and number-concentration correlation functions have been computed. We also obtained total and partial coordination numbers from partial and total pair correlation functions respectively. With the help of these pair correlation functions we give the distances between atoms namely Ag,Ag, In,In and Ag,In at different compositions of In in Ag,In alloy. It is found that these distances practically remain constant and are independent of composition, which has been attributed to the formation of segregated clusters of atomic dimensions. Using Kirkwood,Buff's equation, compressibillities have been calculated as a function of composition. The temperature derivative of diffusion coefficient for pure constituents has been formulated and the computed results were compared with the available experimental values. With this model the diffusion coefficients and the friction coefficients of the constituents have been obtained through the use of Helfand's trajectory principle with a reasonable success in the alloy as well. It is found that these metals of the alloy tend to segregate. The ratio of diffusion coefficients of the metals in the alloy is almost a constant and is equal to 0.9. This shows that the alloy forms a regular solution in spite of their tendency to segregate. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Modeling of three-dimensional flow and heat transfer in polystyrene foam extrusion diesPOLYMER ENGINEERING & SCIENCE, Issue 6 2008Manoj K. Choudhary A three-dimensional mathematical model was developed to investigate the nonisothermal, non-Newtonian polymer flow through the dies used in the polystyrene foam extrusion process. The model, based on the computational fluid dynamics (CFD) code, Polyflow, allowed for the shear rate and temperature dependence of the shear viscosity of the blowing agent laden polystyrene melt. The model also accounted for viscous heating. The shear viscosity of the polystyrene-blowing agent mixture was measured experimentally at several temperatures. The model was used to calculate pressure, flow, and temperature distributions in two different dies used for industrial-scale extrusion of polystyrene foams. The article presents a selection of computed results to illustrate the effect of die design on uniformity of flow at the die exit, the overall pressure drop in the die, relative magnitudes of pressure drop in the land section versus the rest of the die, and temperature distribution in the die. POLYM. ENG. SCI., 2008. © 2008 Society of Plastics Engineers. [source] Mass Transfer, Oxygen Isotopic Variation and Gold Precipitation in Epithermal System: A Case Study of the Hishikari Deposit, Southern Kyushu, JapanRESOURCE GEOLOGY, Issue 3 2002Naotatsu SHIKAZONO Abstract: Transportation of various kinds of elements occurred in wall rocks (Quaternary andesites) during the hydrothermal alteration accompanied by the Hishikari epithermal gold mineralization. For example, K2O and MgO contents of wall rocks decrease away from the gold-quartz veins, while (CaO+Na2O) content increases, and SiO2 content is variable near the veins. Hydrothermal alteration zoning and bulk compositional variations in wall rocks suggest that the mixing of hydrothermal solution and acidic groundwater took place an important role as the cause for the hydrothermal alteration and bulk compositional variations. The relationship between dissolved silica concentration and temperature of hydrothermal solution mixed with groundwater is obtained based on precipitation kinetics-fluid flow,mixing model, and the computed results are compared with the distribution of SiO2 minerals (quartz and cristobalite) in the hydrothermal alteration zones. This comparison suggests that the most reasonable flow rate of fluids migrating through hydrothermal alteration zones, and A/M (A: surface area of rocks interacting with fluid, M: mass of fluid) are estimated to be ca. 10 -4.2 m/sec, and ca. 0.10 m2/kg, respectively. The mixing of two fluids (hydrothermal solution and acidic groundwater) can also explain ,18O zoning in the altered country rocks, hydrothermal alteration zoning from K-feldspar through K-mica to kaolinite from the center (veins) to margin, and deposition of gold. [source] Acoustical Properties of Binary Mixtures of Heptane with Ethyl Acetate or Butyl AcetateCHINESE JOURNAL OF CHEMISTRY, Issue 3 2010Divya Shukla Abstract Mixed solvents rather than single pure liquids are of utmost practical importance in chemical and industrial processes as they provide an ample opportunity for the continuous adjustment of desired properties of the medium. Therefore, ultrasonic velocity (u) and density (,) were measured for the binary mixtures formed by heptane with ethyl acetate or butyl acetate at temperatures 293, 298 and 303 K over the entire composition range. Deviation in ultrasonic velocity (,u), deviation in isentropic compressibility (,,s), and excess intermolecular free length (LEf) have been evaluated using the ultrasonic velocity data and the computed results were fitted to the Redlich-Kister polynomial equation. The values of ,u, ,,s and LEf were plotted against the molar fraction of heptane. The observed positive and negative values of excess parameters were discussed in terms of molecular interaction between the components of the mixtures. Experimental values of ultrasonic velocity and density were compared with the results obtained by theoretical estimation procedures. The results were discussed in terms of average absolute deviation (AAD). [source] | ||||||||||||||||