A Constrained Particle Dynamics for Continuum-Particle Hybrid Method in Micro- and Nano-Fluidics

A hybrid method of continuum and particle dynamics is developed for micro- and nano-fluidics, where fluids are described by a molecular dynamics (MD) in one domain and by the Navier-Stokes (NS) equations in another domain. In order to ensure the continuity of momentum flux, the continuum and molecular dynamics in the overlap domain are coupled through a constrained particle dynamics. The constrained particle dynamics is constructed with a virtual damping force and a virtual added mass force. The sudden-start Couette flows with either non-slip or slip boundary condition are used to test the hybrid method. It is shown that the results obtained are quantitatively in agreement with the analytical solutions under the non-slip boundary conditions and the full MD simulations under the slip boundary conditions.

An Efficient Front-Tracking Method For Fully Nonlinear Interfacial Waves

A fully nonlinear and dispersive model within the framework of potential theory is developed for interfacial (2-layer) waves. To circumvent the difficulties arisen from the moving boundary problem a viable technique based on the mixed Eulerian and Lagrangian concept is proposed: the computing area is partitioned by a moving mesh system which adjusts its location vertically to conform to the shape of the moving boundaries but keeps frozen in the horizontal direction. Accordingly, a modified dynamic condition is required to properly compute the boundary potentials. To demonstrate the effectiveness of the current method, two important problems for the interfacial wave dynamics, the generation and evolution processes, are investigated. Firstly, analytical solutions for the interfacial wave generations by the interaction between the barotropic tide and topography are derived and compared favorably with the numerical results. Furthermore simulations are performed for the nonlinear interfacial wave evolutions at various water depth ratios and satisfactory agreement is achieved with the existing asymptotical theories. (c) 2008 Elsevier Inc. All rights reserved.

Compact difference approximation with consistent boundary condition

For simulating multi-scale complex flow fields it should be noted that all the physical quantities we are interested in must be simulated well. With limitation of the computer resources it is preferred to use high order accurate difference schemes. Because of their high accuracy and small stencil of grid points computational fluid dynamics (CFD) workers pay more attention to compact schemes recently. For simulating the complex flow fields the treatment of boundary conditions at the far field boundary points and near far field boundary points is very important. According to authors' experience and published results some aspects of boundary condition treatment for far field boundary are presented, and the emphasis is on treatment of boundary conditions for the upwind compact schemes. The consistent treatment of boundary conditions at the near boundary points is also discussed. At the end of the paper are given some numerical examples. The computed results with presented method are satisfactory.

A rigorous analytical method for doubly periodic cylindrical inclusions under longitudinal shear and its application

An infinite elastic solid containing a doubly periodic parallelogrammic array of cylindrical inclusions under longitudinal shear is studied. A rigorous and effective analytical method for exact solution is developed by using Eshelby's equivalent inclusion concept integrated with the new results from the doubly quasi-periodic Riemann boundary value problems. Numerical results show the dependence of the stress concentrations in such heterogeneous materials on the periodic microstructure parameters. The overall longitudinal shear modulus of composites with periodic distributed fibers is also studied. Several problems of practical importance, such as those of doubly periodic holes or rigid inclusions, singly periodic inclusions and single inclusion, are solved or resolved as special cases. The present method can provide benchmark results for other numerical and approximate methods. (C) 2003 Elsevier Ltd. All rights reserved.

Two-way coupling model for shock-induced laminar boundary-layer flows of a dusty gas

The present paper describes a numerical two-way coupling model for shock-induced laminar boundary-layer flows of a dust-laden gas and studies the transverse migration of fine particles under the action of Saffman lift force. The governing equations are formulated in the dilute two-phase continuum framework with consideration of the finiteness of the particle Reynolds and Knudsen numbers. The full Lagrangian method is explored for calculating the dispersed-phase flow fields (including the number density of particles) in the regions of intersecting particle trajectories. The computation results show a significant reaction of the particles on the two-phase boundary-layer structure when the mass loading ratio of particles takes finite values.

Computation of stress intensity factors by the sub-region mixed finite element method of lines

Based on the sub-region generalized variational principle, a sub-region mixed version of the newly-developed semi-analytical 'finite element method of lines' (FEMOL) is proposed in this paper for accurate and efficient computation of stress intensity factors (SIFs) of two-dimensional notches/cracks. The circular regions surrounding notch/crack tips are taken as the complementary energy region in which a number of leading terms of singular solutions for stresses are used, with the sought SIFs being among the unknown coefficients. The rest of the arbitrary domain is taken as the potential energy region in which FEMOL is applied to obtain approximate displacements. A mixed system of ordinary differential equations (ODEs) and algebraic equations is derived via the sub-region generalized variational principle. A singularity removal technique that eliminates the stress parameters from the mixed equation system eventually yields a standard FEMOL ODE system, the solution of which is no longer singular and is simply and efficiently obtained using a standard general-purpose ODE solver. A number of numerical examples, including bi-material notches/cracks in anti-plane and plane elasticity, are given to show the generally excellent performance of the proposed method.

Stress intensity factors calculation in anti-plane fracture problem by orthogonal integral extraction method based on femol

For an anti-plane problem, the differential operator is self-adjoint and the corresponding eigenfunctions belong to the Hilbert space. The orthogonal property between eigenfunctions (or between the derivatives of eigenfunctions) of anti-plane problem is exploited. We developed for the first time two sets of radius-independent orthogonal integrals for extraction of stress intensity factors (SIFs), so any order SIF can be extracted based on a certain known solution of displacement (an analytic result or a numerical result). Many numerical examples based on the finite element method of lines (FEMOL) show that the present method is very powerful and efficient.

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 finite deformation analysis of polycrystal by considering the influence of grain boundary

By combining grain boundary (GB) and its influence zone, a micromechanic model for polycrystal is established for considering the influence of GB. By using the crystal plasticity theory and the finite element method for finite deformation, numerical simulation is carried out by the model. Calculated results display the microscopic characteristic of deformation fields of grains and are in qualitative agreement with experimental results.

A BIEM optimization method for fracture dynamics inverse problem

In the present paper, based on the theory of dynamic boundary integral equation, an optimization method for crack identification is set up in the Laplace frequency space, where the direct problem is solved by the author's new type boundary integral equations and a method for choosing the high sensitive frequency region is proposed. The results show that the method proposed is successful in using the information of boundary elastic wave and overcoming the ill-posed difficulties on solution, and helpful to improve the identification precision.

Cauchy singular integral equation method for transient antiplane dynamic problems

In this paper, by use of the boundary integral equation method and the techniques of Green basic solution and singularity analysis, the dynamic problem of antiplane is investigated. The problem is reduced to solving a Cauchy singular integral equation in Laplace transform space. This equation is strictly proved to be equivalent to the dual integral equations obtained by Sih [Mechanics of Fracture, Vol. 4. Noordhoff, Leyden (1977)]. On this basis, the dynamic influence between two parallel cracks is also investigated. By use of the high precision numerical method for the singular integral equation and Laplace numerical inversion, the dynamic stress intensity factors of several typical problems are calculated in this paper. The related numerical results are compared to be consistent with those of Sih. It shows that the method of this paper is successful and can be used to solve more complicated problems. Copyright (C) 1996 Elsevier Science Ltd

Molecular dynamics studies on the dislocation gliding near a tilt boundary

The gliding behavior of edge dislocation near a grain boundary(QB) in copper under pure shear stresses is simulated by using molecular dynamics(MD) method. Many-body potential incorporating the embedded atom method (EAM) is used. The critical shear stresses for a single disocation to pass across GB surface are obtained at values of sigma(c)=23MPa similar to 68 MPa and 137 MPa similar to 274 MPa for Sigma=165 small angle tilt GB at 300 K and 20 K, respectively. The first result agrees with the experimental yield stress sigma(y)(=42 MPa) quite well. It suggests that there might be one of the reasons of initial plastic yielding caused by single dislocation gliding across GB. In addition, there might be possibility to obtain yield strength from microscopic analysis. Moreover, the experimental value of sigma(y) at low temperature is generally higher than that at room temperature. So, these results are in conformity qualitatively with experimental fact. On the other hand, the Sigma=25 GB is too strong an obstacle to the dislocation. In this case, a dislocation is able to pass across GB under relatively low stress only when it is driven by other dislocations. This is taken to mean that dislocation pile-up must be built up in front of this kind of GB, if this GB may take effect on the process of plastic deformation.

Numerical simulation of axisymmetric unsteady incompressible flow by a vorticity-velocity method

A new numerical method for solving the axisymmetric unsteady incompressible Navier-Stokes equations using vorticity-velocity variables and a staggered grid is presented. The solution is advanced in time with an explicit two-stage Runge-Kutta method. At each stage a vector Poisson equation for velocity is solved. Some important aspects of staggering of the variable location, divergence-free correction to the velocity held by means of a suitably chosen scalar potential and numerical treatment of the vorticity boundary condition are examined. The axisymmetric spherical Couette flow between two concentric differentially rotating spheres is computed as an initial value problem. Comparison of the computational results using a staggered grid with those using a non-staggered grid shows that the staggered grid is superior to the non-staggered grid. The computed scenario of the transition from zero-vortex to two-vortex flow at moderate Reynolds number agrees with that simulated using a pseudospectral method, thus validating the temporal accuracy of our method.

Study of the shock motion in a hypersonic shock system turbulent boundary-layer interaction

Wall pressure fluctuations and surface heat transfer signals have been measured in the hypersonic turbulent boundary layer over a number of compression-corner models. The distributions of the separation shock oscillation frequencies and periods have been calculated using a conditional sampling algorithm. In all cases the oscillation frequency distributions are of broad band, but the most probable frequencies are low. The VITA method is used for deducing large scale disturbances at the wall in the incoming boundary layer and the separated flow region. The results at present showed the existence of coherent structures in the two regions. The zero-cross frequencies of the large scale structures in the two regions are of the same order as that of the separation shock oscillation. The average amplitude of the large scale structures in the separated region is much higher than that in the incoming boundary layer. The length scale of the separation shock motion region is found to increase with the disturbance strength. The results show that the shock oscillation is of inherent nature in the shock wave/turbulent boundary layer interaction with separation. The shock oscillation is considered to be the consequence of the coherent structures in the separated region.

Mechanical modeling of grain boundary sliding of polycrystals

Using a variational method, a general three-dimensional solution to the problem of a sliding spherical inclusion embedded in an infinite anisotropic medium is presented in this paper. The inclusion itself is also a general anisotropic elastic medium. The interface is treated as a thin interface layer with interphase anisotropic properties. The displacements in the matrix and the inclusion are expressed as polynomial series of the cartesian coordinate components. Using the virtual work principle, a set of linear algebraic equations about unknown coefficients are obtained. Then the general sliding spherical inclusion problem is accurately solved. Based on this solution, a self-consistent method for sliding polycrystals is proposed. Combining this with a two-dimensional model of an aggregate polycrystal, a systematic analysis of the mechanical behaviour of sliding polycrystals is given in detail. Numerical results are given to show the significant effect of grain boundary sliding on the overall mechanical properties of aggregate polycrystals.