Deformation mechanisms of face-centered-cubic metal nanowires with twin boundaries

This letter addresses the issue of deformation mechanisms and mechanical tensile behavior of the twinned metal nanowires using atomistic simulations. Free surfaces are always the preferential dislocation nucleation sites in the initial inelastic deformation stage, while with further plastic deformation, twin boundary interfaces will act as sources of dislocations with the assistance of the newly formed defects. The smaller the twin boundary spacing, the higher the yielding stresses of the twinned nanowires. Twin boundaries, which serve both as obstacles to dislocation motion and dislocation sources, can lead to hardening effects and contribute to the tensile ductility. This work illustrates that the mechanical properties of metal nanowires could be controlled by tailoring internal growth twin structures. (c) 2007 American Institute of Physics.

The mixed-type integral equations for transient elastodynamic plane crack problems

In the present paper, by use of the boundary integral equation method and the techniques of Green fundamental solution and singularity analysis, the dynamic infinite plane crack problem is investigated. For the first time, the problem is reduced to solving a system of mixed-typed integral equations in Laplace transform domain. The equations consist of ordinary boundary integral equations along the outer boundary and Cauchy singular integral equations along the crack line. The equations obtained are strictly proved to be equivalent with the dual integral equations obtained by Sih in the special case of dynamic Griffith crack problem. The mixed-type integral equations can be solved by combining the numerical method of singular integral equation with the ordinary boundary element method. Further use the numerical method for Laplace transform, several typical examples are calculated and their dynamic stress intensity factors are obtained. The results show that the method proposed is successful and can be used to solve more complicated problems.

Compact finite difference - Fourier spectral method for three-dimensional incompressible Navier-Stokes equations

A new compact finite difference-Fourier spectral hybrid method for solving the three dimensional incompressible Navier-Stokes equations is developed in the present paper. The fifth-order upwind compact finite difference schemes for the nonlinear convection terms in the physical space, and the sixth-order center compact schemes for the derivatives in spectral space are described, respectively. The fourth-order compact schemes in a single nine-point cell for solving the Helmholtz equations satisfied by the velocities and pressure in spectral space is derived and its preconditioned conjugate gradient iteration method is studied. The treatment of pressure boundary conditions and the three dimensional non-reflecting outflow boundary conditions are presented. Application to the vortex dislocation evolution in a three dimensional wake is also reported.

A self-closed system of equations of damage evolution

This paper introduces a statistical mesomechanical approach to the evolution of damage. A self-closed formulation of the damage evolution is derived.

Upwind compact scheme with dispersion control for aerodynamic equations

A compact upwind scheme with dispersion control is developed using a dissipation analogy of the dispersion term. The term is important in reducing the unphysical fluctuations in numerical solutions. The scheme depends on three free parameters that may be used to regulate the size of dissipation as well as the size and direction of dispersion. A coefficient to coordinate the dispersion is given. The scheme has high accuracy, the method is simple, and the amount of computation is small. It also has a good capability of capturing shock waves. Numerical experiments are carried out with two-dimensional shock wave reflections and the results are very satisfactory.

H4 exponential finite-difference scheme for convective diffusion-equations

Perturbations are applied to the convective coefficients and source term of a convection-diffusion equation so that second-order corrections may be applied to a second-order exponential scheme. The basic Structure of the equations in the resulting fourth-order scheme is identical to that for the second order. Furthermore, the calculations are quite simple as the second-order corrections may be obtained in a single pass using a second-order scheme. For one to three dimensions, the fourth-order exponential scheme is unconditionally stable. As examples, the method is applied to Burgers' and other fluid mechanics problems. Compared with schemes normally used, the accuracies are found to be good and the method is applicable to regions with large gradients.

Character of simplified Navier-Stokes (SNS) equations near separation point for two-dimensional laminar flow over a flat plate

It is proved that the simplified Navier-Stokes (SNS) equations presented by Gao Zhi[1], Davis and Golowachof-Kuzbmin-Popof (GKP)[3] are respectively regular and singular near a separation point for a two-dimensional laminar flow over a flat plate. The order of the algebraic singularity of Davis and GKP equation[2,3] near the separation point is indicated. A comparison among the classical boundary layer (CBL) equations, Davis and GKP equations, Gao Zhi equations and the complete Navier-Stokes (NS) equations near the separation point is given.

Diffusion analogy and shock capturing for solving aerodynamic equations

Improving the resolution of the shock is one of the most important subjects in computational aerodynamics. In this paper the behaviour of the solutions near the shock is discussed and the reason of the oscillation production is investigated heuristically. According to the differential approximation of the difference scheme the so-called diffusion analogy equation and the diffusion analogy coefficient are defined. Four methods for improving the resolution of the shock are presented using the concept of diffusion analogy.

Some theoretical aspects of the simplified Navier-Stokes(SNS) equations

This study deals with the formulation, mathematical property and physical meaning of the simplified Navier-Stokes (SNS) equations. The tensorial SNS equations proposed is the simplest in form and is applicable to flow fields with arbitrary body boundaries. The zones of influence and dependence of the SNS equations, which are of primary importance to numerical solutions, are expounded for the first time from the viewpoint of subcharacteristics. Besides, a detailed analysis of the diffusion process in flow fields shows that the diffusion effect has an influence zone globally windward and an upwind propagation greatly depressed by convection. The maximum upwind influential distance of the viscous effect and the relative importance of the viscous effect in the flow direction to that in the direction normal to the flow are represented by the Reynolds number, which illustrates the conversion of the complete Navier-Stokes (NS) equations to the SNS equations for flows with large Reynolds number.

Basic equations for suspension flows with interphase mass-transfer

In the case of suspension flows, the rate of interphase momentum transfer M(k) and that of interphase energy transfer E(k), which were expressed as a sum of infinite discontinuities by Ishii, have been reduced to the sum of several terms which have concise physical significance. M(k) is composed of the following terms: (i) the momentum carried by the interphase mass transfer; (ii) the interphase drag force due to the relative motion between phases; (iii) the interphase force produced by the concentration gradient of the dispersed phase in a pressure field. And E(k) is composed of the following four terms, that is, the energy carried by the interphase mass transfer, the work produced by the interphase forces of the second and third parts above, and the heat transfer between phases. It is concluded from the results that (i) the term, (-alpha-k-nabla-p), which is related to the pressure gradient in the momentum equation, can be derived from the basic conservation laws without introducing the "shared-pressure presumption"; (ii) the mean velocity of the action point of the interphase drag is the mean velocity of the interface displacement, upsilonBAR-i. It is approximately equal to the mean velocity of the dispersed phase, upsilonBAR-d. Hence the work terms produced by the drag forces are f(dc) . upsilonBAR-d, and f(cd) . upsilonBAR-d, respectively, with upsilonBAR-i not being replaced by the mean velocity of the continuous phase, upsilonBAR-c; (iii) by analogy, the terms of the momentum transfer due to phase change are upsilonBAR-d-GAMMA-c, and upsilonBAR-d-GAMMA-d, respectively; (iv) since the transformation between explicit heat and latent heat occurs in the process of phase change, the algebraic sum of the heat transfer between phases is not equal to zero. Q(ic) and Q(id) are composed of the explicit heat and latent heat, so that the sum Q(ic) + Q(id)) is equal to zero.

Hierarchal structure of the simplified Navier-Stokes equations (SNSE) and its mechanical connotation and application

The hierarchial structure and mathematical property of the simplified Navier-Stokesequations (SNSE) are studied for viscous flow over a sphere and a jet of compressible flu-id. All kinds of the hierarchial SNSE can be divided into three types according to theirmathematical property and also into five groups according to their physical content. Amultilayers structure model for viscous shear flow with a main stream direction is pre-sented. For the example of viscous incompressible flow over a flat plate there existthree layers for both the separated flow and the attached flow; the character of thetransition from the three layers of attached flow to those of separated flow is elucidated.A concept of transition layer being situated between the viscous layer and inviscidlayer is introduced. The transition layer features the interaction between viscous flow andinviscid flow. The inner-outer-layers-matched SNSE proposed by the present author inthe past is developed into the layers matched (LsM)-SNSE.

Simplified Navier-Stokes equations (SNSE)

Ten kinds of the simplified Navier-Stokes equations (SNSE) are reviewed and also used to calculate the Jeffery-Hamel flow as well as to analyze briefly the seven kinds of flows to which the exact solutions of the complete Navier-Stokes equations (CNSE) have been found. Analysis shows that the actual differences among the solutions of the different SNSE can go beyond the range of the order of magnitude of Re-1/2 and result even in different flow patterns, therefore, how to choose the viscous terms included in the SNSE is worthy of notice where Re=S∞u∞ L/μ∞ is the Reynolds numbers. For the aforesaid eight kinds of flows, the solutions to the inner-outer-layer-matched SNSE and to the thin-layer-2-order SNSE agree completely with the exact solutions to CNSE. But the solutions to all the other SNSE are not completely consistent with the exact solutions to CNSE and not a few of them are actually the solutions of the classical boundary layer theory. The innerouter-layer-matched SNSE contains the shear stress causing angular displacement of the inormal axis with respect to the streamwise axis and the normal stress causing expansion-contraction in the direction of the normal axis and the viscous terms being of the order of magnitude of the normal stress; and it can also reasonably treat the inertial terms as well as the relation between the viscous and inertial terms. Therefore, it seems promising in respects of both mechanics and mathematics.

An asymptotic solution of hydrodynamic equations at the mid-plane of a plume in the earths mantle

From the partial differential equations of hydrodynamics governing the movements in the Earth's mantle of a Newtonian fluid with a pressure- and temperature-dependent viscosity, considering the bilateral symmetry of velocity and temperature distributions at the mid-plane of the plume, an analytical solution of the governing equations near the mid-plane of the plume was found by the method of asymptotic analysis. The vertical distribution of the upward velocity, viscosity and temperature at the mid-plane, and the temperature excess at the centre of the plume above the ambient mantle temperature were then calculated for two sets of Newtonian rheological parameters. The results obtained show that the temperature at the mid-plane and the temperature excess are nearly independent of the rheological parameters. The upward velocity at the mid-plane, however, is strongly dependent on the rheological parameters.

Perturbational finite volume scheme for the one-dimensional Navier-Stokes equations

Starting from the second-order finite volume scheme,though numerical value perturbation of the cell facial fluxes, the perturbational finite volume (PFV) scheme of the Navier-Stokes (NS) equations for compressible flow is developed in this paper. The central PFV scheme is used to compute the one-dimensional NS equations with shock wave.Numerical results show that the PFV scheme can obtain essentially non-oscillatory solution.

Basic equations for ferroelectrics

A set of new formula of energy functions for ferroelectrics was proposed, and then the new basic equations were derived in this paper. The finite element formulation based on the new basic equations was improved to avoid the equivalent nodal load produced by remnant polarization. With regard to the fundamentals of mathematics and physics, the new energy functions and basic equations are reasonable for the material element of ferroelectrics in finite element analysis.