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Two different ways of treating non-Dirichlet boundary conditions in Chebyshev and Legendre collocation methods are discussed for second order differential problems. An error analysis is provided. The effect of preconditioning the corresponding spectral operators by finite difference matrices is also investigated.
We study the no-slip boundary conditions for water at a hydrophobic (graphite) surface using non-equilibrium molecular-dynamics simulations. For the planar Couette flow, we find a slip length of 64 nm at 1 bar and 300 K, decreasing with increasing system pressure to a value of 31 nm at 1000 bar. Changing the properties of the interface to from hydrophobic to strongly hydrophilic reduces the slip to 14 nm. Finally, we study the flow of water past an array of carbon nanotubes mounted in an inline configuration with a spacing of 16.4 x 16.4 nm. For tube diameters of 1.25 and 2.50 nm we find drag coefficients in good agreement with the macroscopic, Navier-Stokes values. For carbon nanotubes, the no-slip condition is valid to within the definition of the position of the interface.
Existence, uniqueness, stability, and asymptotic stability conditions for solution of elliptic partial differential equations with general boundary conditions
Side edge boundary condition and transverse shear stiffness effects on orthotropic panel flutter in supersonic flow
The inviscid Euler equations in complicated geometries are solved using a Cartesian grid. This requires solid wall boundary conditions in the irregular grid cells near the boundary. Since these cells may be orders of magnitude smaller than the regular grid cells, stability is a primary concern. An approach to this problem is presented and its use is illustrated.
The inviscid Euler equations in complicated geometries are solved using a Cartesian grid. This requires solid wall boundary conditions in the irregular grid cells near the boundary. Since these cells may be orders of magnitude smaller than the regular grid cells, stability is a primary concern. An approach to this problem is presented and its use is illustrated.
A simple but nontrivial steady-state creeping elasto visco-plastic (Maxwell fluid) radial flow problem is analyzed, with special attention given to the effects of the boundary conditions. Solutions are obtained through integration of a governing equation on stress using the Runge-Kutta method for initial value problems and finite differences for boundary value problems. A more general approach through the finite element method, an approach that solves for the velocity field rather than the stress field and that is applicable to a wide range of problems, is presented and tested using the radial flow example. It is found that steady-state flows of elasto visco-plastic materials are strongly influenced by the state of stress of material as it enters the region of interest. The importance of this boundary or initial condition in analyses involving materials coming into control volumes from unusual stress environments is emphasized.
Transient thermal stresses in spherical shell with distributed source and general Sturm-Liouville boundary conditions
Diffusion-type problems in (nearly) unbounded domains play important roles in various fields of fluid dynamics, biology, and materials science. The aim of this paper is to construct accurate absorbing boundary conditions (ABCs) suitable for classical (local) as well as nonlocal peridynamic (PD) diffusion models. The main focus of the present study is on the PD diffusion formulation. The majority of the PD diffusion models proposed so far are applied to bounded domains only. In this study, we propose an effective way to handle unbounded domains both with PD and classical diffusion models. For the former, we employ a meshfree discretization, whereas for the latter the finite element method (FEM) is employed. The proposed ABCs are time-dependent and Dirichlet-type, making the approach easy to implement in the available models. The performance of the approach, in terms of accuracy and stability, is illustrated by numerical examples in 1D, 2D, and 3D.
Infrared and visible HCMM data were used to examine the potential application of these data to define initial and boundary conditions for mesoscale numerical models. Various boundary layer models were used to calculate the distribution of the surface heat flux, specific humidity depression (the difference between the specific humidity in the air at approxmately the 10 m level and the specific humidity at the ground), and the eddy vicosity in a 72 km by 72 km area centered about St. Louis, Missouri. Various aspects of the implications of the results on the meteorology of St. Louis are discussed. Overall, the results indicated that a reasonable estimate of the surface heat flux, urban albedo, ground temperature, and specific humidity depression can be obtained using HCMM satellite data. Values of the ground-specific humidity can be obtained if the distribution of the air-specific humidity is available. More research is required in estimating the absolute magnitude of the specific humidity depression because calculations may be sensitive to model parameters.
In a graded junction, the formalism for handling reflecting boundary conditions must be modified. Since a significant drift term is present, zero recombination velocity at the surface does not imply a zero excess carrier gradient but rather zero overall flux. A model for analyzing p-n junctions fabricated by implantation or diffusion is presented, assuming the dominant recombination mechanism in the graded region is Auger. The model enables optimization of diode design. By proper selection of parameters, mainly by reducing surface concentration or by increasing the steepness of the dopant profile, it is possible to drastically reduce the saturation current generated by the graded region.
Study of boundary conditions at liquid-vapor interface through irreversible thermodynamics
Local studies of accretion disks and laboratory magnetized plasmas employ analytical coordinate mappings that introduce sheared boundary conditions (BCs). Here, we present a discontinuous Galerkin (DG) algorithm to apply such BCs based on projections and quadrature-free integration. The procedure is high-order accurate, preserves moments exactly and works in multiple dimensions. Tests of increasing complexity are provided, beginning with translations of one and two dimensional fields, followed by 3D and 5D simulations with sheared (twist-shift) BCs. Results show that the algorithm is (p + 1)-order accurate in the DG representation and (p + 2) -order accurate in the cell averages, with p being the order of the polynomial basis. Quantification of the algorithm's hyperdiffusion and discussion of aliasing errors are given. This technique enables conservative local simulations of plasma turbulence with DG, not possible until now.
The one-way wave equations occurring in geophysics, underwater acoustics, and numerical studies involving absorbing boundary conditions are characterized analytically. The conditions under which such equations are well posed are obtained by examining the rational functions used to reduce them. Results are presented for Chebyshev, Pade, least-squares, and symmetric least-squares approximations.
The stability and accuracy of various boundary treatments are analyzed for the two-step Richtmyer and MacCormack methods. Special attention is paid to ways of imposing the extra boundary conditions after the first step of the two-step process. The theory of Kreiss is used to study stability properties for both scalar and vector equations. The theory of Skollermo is used to compare accuracies of the various methods. Computations were also performed on both wavelike equations and on systems that approach a steady state. Several suggestions are given for more reliable boundary treatments.
While numerically solving a problem initially formulated on an unbounded domain, one typically truncates this domain, which necessitates setting the artificial boundary conditions (ABC's) at the newly formed external boundary. The issue of setting the ABC's appears to be most significant in many areas of scientific computing, for example, in problems originating from acoustics, electrodynamics, solid mechanics, and fluid dynamics. In particular, in computational fluid dynamics (where external problems present a wide class of practically important formulations) the proper treatment of external boundaries may have a profound impact on the overall quality and performance of numerical algorithms. Most of the currently used techniques for setting the ABC's can basically be classified into two groups. The methods from the first group (global ABC's) usually provide high accuracy and robustness of the numerical procedure but often appear to be fairly cumbersome and (computationally) expensive. The methods from the second group (local ABC's) are, as a rule, algorithmically simple, numerically cheap, and geometrically universal; however, they usually lack accuracy of computations. In this paper we first present a survey and provide a comparative assessment of different existing methods for constructing the ABC's. Then, we describe a relatively new ABC's technique of ours and review the corresponding results. This new technique, in our opinion, is currently one of the most promising in the field. It enables one to construct such ABC's that combine the advantages relevant to the two aforementioned classes of existing methods. Our approach is based on application of the difference potentials method attributable to V. S. Ryaben'kii. This approach allows us to obtain highly accurate ABC's in the form of certain (nonlocal) boundary operator equations. The operators involved are analogous to the pseudodifferential boundary projections first introduced by A. P. Calderon and then also studied by R. T. Seeley. The apparatus of the boundary pseudodifferential equations, which has formerly been used mostly in the qualitative theory of integral equations and PDE'S, is now effectively employed for developing numerical methods in the different fields of scientific computing.
Attention is given to the application of the adjoint variable method under the special combination of displacement and stress boundary conditions which occur when static test conditions are simulated. In the two-step problem-solving method employed, calculation of internal stresses, displacements and total reaction force at the boundary is followed by the calculation of the applied load and the total reaction force due to unit displacements.
High-fidelity numerical simulations of an experimental rotating detonation engine with discrete fuel/air injection were conducted. A series of configurations with different feed-plenum pressures but with constant equivalence ratio were studied. Detailed chemical kinetics for the hydrogen/air system is used. A resolution study for the full rotating detonation engine (RDE) system simulation is also conducted. Two kinds of boundary conditions, a total pressure boundary and a constant mass flow rate boundary, are used to assess the effects of the inlet boundary. As mass flow rate is increased, the total pressure boundary causes more error in the axial pressure distribution while the constant mass flow rate gives a better solution for all cases ran. The simulations confirm experimental findings, and reproduce qualitative as well as some of the quantitative trends. These results demonstrate that a) fuel-air mixing is highly non-uniform within the detonation chamber, leading to variations in local equivalence ratio, b) the fuel and oxidizer injectors experience significant backflow as the detonation wave passes over, but recover at different rates which further augments the inefficiencies in mixing, and c) parasitic combustion in the mixing region makes the detonation wave weak by extending the reaction zone across the wave.