A New Criterion Number for the Boundary Conditions at the Solid/Liquid Interface in Nanoscale

A simple, but important three-atom model was proposed at the solid/liquid interface, leading to a new criterion number, lambda, governing the boundary conditions (BCs) in nanoscale. The solid wall is considered as the face-centered-cubic (fcc) structure. The fluid is the liquid argon with the well-known LJ potential. Based on the concept, the two micro-systems have the same BCs if they have The same criterion number. The degree of the locking BCs is enhanced when lambda equals to 0.757. Such critical criterion number results in the substantial epitaxial ordering and one, two, or even three liquid layers are locked by the solid wall, depending on the coupling energy scale ratio of the solid and liquid atoms. With deviation from the critical criterion number, the flow approaches the slip BCs and there are little ordering structures within the liquid. Always at the same criterion number, the degree of the slip is decreased or the locking is enhanced with increasing the coupling energy scale ratio of the solid and liquid atoms. The above analysis is well confirmed by the molecular dynamics (MD) simulation. The slip length is well correlated in terms of the new criterion number. The future work is suggested to extend the present theory for other microstructures of the solid wall atoms and quasi-LJ potentials.

Monotone scheme and boundary conditions for finite volume simulation of magnetohydrodynamic internal flows at high Hartmann number

A monotone scheme for finite volume simulation of magnetohydrodynamic internal flows at high Hartmann number is presented. The numerical stability is analysed with respect to the electromagnetic force. Standard central finite differences applied to finite volumes can only be numerically stable if the vector products involved in this force are computed with a scheme using a fully staggered grid. The electromagnetic quantities (electric currents and electric potential) must be shifted by half the grid size from the mechanical ones (velocity and pressure). An integral treatment of the boundary layers is used in conjunction with boundary conditions for electrically conducting walls. The simulations are performed with inhomogeneous electrical conductivities of the walls and reach high Hartmann numbers in three-dimensional simulations, even though a non-adaptive grid is used.

Boundary conditions in the simplest model of linear and second harmonic magneto-optical effects

This paper is concerned with linear and nonlinear magneto- optical effects in multilayered magnetic systems when treated by the simplest phenomenological model that allows their response to be represented in terms of electric polarization, The problem is addressed by formulating a set of boundary conditions at infinitely thin interfaces, taking into account the existence of surface polarizations. Essential details are given that describe how the formalism of distributions (generalized functions) allows these conditions to be derived directly from the differential form of Maxwell's equations. Using the same formalism we show the origin of alternative boundary conditions that exist in the literature. The boundary value problem for the wave equation is formulated, with an emphasis on the analysis of second harmonic magneto-optical effects in ferromagnetically ordered multilayers. An associated problem of conventions in setting up relationships between the nonlinear surface polarization and the fundamental electric field at the interfaces separating anisotropic layers through surface susceptibility tensors is discussed. A problem of self- consistency of the model is highlighted, relating to the existence of resealing procedures connecting the different conventions. The linear approximation with respect to magnetization is pursued, allowing rotational anisotropy of magneto-optical effects to be easily analyzed owing to the invariance of the corresponding polar and axial tensors under ordinary point groups. Required representations of the tensors are given for the groups infinitym, 4mm, mm2, and 3m, With regard to centrosymmetric multilayers, nonlinear volume polarization is also considered. A concise expression is given for its magnetic part, governed by an axial fifth-rank susceptibility tensor being invariant under the Curie group infinityinfinitym.

Multi-zone TAP-reactors theory and application - IV. Ideal and non-ideal boundary conditions

We study the influence of non-ideal boundary and initial conditions (BIC) of a temporal analysis of products (TAP) reactor model on the data (observed exit flux) analysis. The general theory of multi-response state-defining experiments for a multi-zone TAP reactor is extended and applied to model several alternative boundary and initial conditions proposed in the literature. The method used is based on the Laplace transform and the transfer matrix formalism for multi-response experiments. Two non-idealities are studied: (1) the inlet pulse not being narrow enough (gas pulse not entering the reactor in Dirac delta function shape) and (2) the outlet non-ideality due to imperfect vacuum. The effect of these non-idealities is analyzed to the first and second order of approximation. The corresponding corrections were obtained and discussed in detail. It was found that they are negligible. Therefore, the model with ideal boundary conditions is proven to be completely adequate to the description and interpretation of transport-reaction data obtained with TAP-2 reactors.

Solving the problem of diffraction of an optical-band electromagnetic wave by metal nanostructured aperture arrays with the use of the method of impedance boundary conditions

The problem of diffraction of an optical wave by a 2D periodic metal aperture array with square, circular, and ring apertures is solved with allowance for the finite permittivity of a metal in the optical band. The correctness of the obtained results is verified through comparison with experimental data. It is shown that the transmission coefficient can be substantially greater than the corresponding value reached in the case of diffraction by a grating in a perfectly conducting screen.

Automotive waste heat recovery: Working fluid selection and related boundary conditions

This paper presents the rational for the selection of fluids for use in a model based study of sub and supercritical Waste Heat Recovery (WHR) Organic Rankine Cycle (ORC). The study focuses on multiple vehicle heat sources and the potential of WHR ORC’s for its conversion into useful work. The work presented on fluid selection is generally applicable to any waste heat recovery system, either stationary or mobile and, with careful consideration, is also applicable to single heat sources. The fluid selection process presented reduces the number of potential fluids from over one hundred to a group of under twenty fluids for further refinement in a model based WHR ORC performance study. The selection process uses engineering judgement, legislation and, where applicable, health and safety as fluid selection or de-selection criteria. This paper also investigates and discusses the properties of specific ORC fluids with regard to their impact on the theoretical potential for delivering efficient WHR ORC work output. The paper concludes by looking at potential temperature and pressure WHR ORC limits with regard to fluid properties thereby assisting with the generation of WHR ORC simulation boundary conditions.

Influence of Boundary Conditions on the Low Velocity Impact Damage Carbon Fibre Reinforced Plastic Plates (ICTWS2014-0501)

No abstract available

Maxwell perturbations on asymptotically Anti-de-Sitter spacetimes: generic boundary conditions and a new branch of quasinormal modes

Perturbations of asymptotically Anti-de-Sitter (AdS) spacetimes are often considered by imposing field vanishing boundary conditions (BCs) at the AdS boundary. Such BCs, of Dirichlet-type, imply a vanishing energy flux at the boundary, but the converse is, generically, not true. Regarding AdS as a gravitational box, we consider vanishing energy flux (VEF) BCs as a more fundamental physical requirement and we show that these BCs can lead to a new branch of modes. As a concrete example, we consider Maxwell perturbations on Kerr-AdS black holes in the Teukolsky formalism, but our formulation applies also for other spin fields. Imposing VEF BCs, we find a set of two Robin BCs, even for Schwarzschild-AdS black holes. The Robin BCs on the Teukolsky variables can be used to study quasinormal modes, superradiant instabilities and vector clouds. As a first application, we consider here the quasinormal modes of Schwarzschild-AdS black holes. We find that one of the Robin BCs yields the quasinormal spectrum reported in the literature, while the other one unveils a new branch for the quasinormal spectrum.

Artificial boundary conditions for the Stokes and Navier-Stokes equations in domains that are layer-like at infinity

Artificial boundary conditions are presented to approximate solutions to Stokes- and Navier-Stokes problems in domains that are layer-like at infinity. Based on results about existence and asymptotics of the solutions v^infinity, p^infinity to the problems in the unbounded domain Omega the error v^infinity - v^R, p^infinity - p^R is estimated in H^1(Omega_R) and L^2(Omega_R), respectively. Here v^R, p^R are the approximating solutions on the truncated domain Omega_R, the parameter R controls the exhausting of Omega. The artificial boundary conditions involve the Steklov-Poincare operator on a circle together with its inverse and thus turn out to be a combination of local and nonlocal boundary operators. Depending on the asymptotic decay of the data of the problems, in the linear case the error vanishes of order O(R^{-N}), where N can be arbitrarily large.

Consistent Dirichlet Boundary Conditions for Numerical Solution of Moving Boundary Problems

We consider the imposition of Dirichlet boundary conditions in the finite element modelling of moving boundary problems in one and two dimensions for which the total mass is prescribed. A modification of the standard linear finite element test space allows the boundary conditions to be imposed strongly whilst simultaneously conserving a discrete mass. The validity of the technique is assessed for a specific moving mesh finite element method, although the approach is more general. Numerical comparisons are carried out for mass-conserving solutions of the porous medium equation with Dirichlet boundary conditions and for a moving boundary problem with a source term and time-varying mass.

How to save a bad element with weak boundary conditions

The P-1-P-1 finite element pair is known to allow the existence of spurious pressure (surface elevation) modes for the shallow water equations and to be unstable for mixed formulations. We show that this behavior is strongly influenced by the strong or the weak enforcement of the impermeability boundary conditions. A numerical analysis of the Stommel model is performed for both P-1-P-1 and P-1(NC)-P-1 mixed formulations. Steady and transient test cases are considered. We observe that the P-1-P-1 element exhibits stable discrete solutions with weak boundary conditions or with fully unstructured meshes. (c) 2005 Elsevier Ltd. All rights reserved.

Spectral functions of half-filled one-dimensional Hubbard rings with varying boundary conditions

We study the effect of varying the boundary condition on: the spectral function of a finite one-dimensional Hubbard chain, which we compute using direct (Lanczos) diagonalization of the Hamiltonian. By direct comparison with the two-body response functions and with the exact solution of the Bethe ansatz equations, we can identify both spinon and holon features in the spectra. At half-filling the spectra have the well-known structure of a low-energy holon band and its shadow-which spans the whole Brillouin zone-and a spinon band present for momenta less than the Fermi momentum. Features related to the twisted boundary condition are cusps in the spinon band. We show that the spectral building principle, adapted to account for both the finite system size and the twisted boundary condition, describes the spectra well in terms of single spinon and holon excitations. We argue that these finite-size effects are a signature of spin-charge separation and that their study should help establish the existence and nature of spin-charge separation in finite-size systems.