An economical difference scheme for heat transport equation at the microscale

Heat transport at the microscale is of vital importance in microtechnology applications. In this article, we proposed a new ADI difference scheme of the Crank‐Nicholson type for heat transport equation at the microscale. It is shown that the scheme is second order accurate in time and in space in the H¹ norm. Numerical result implies that the theoretical analysis is correct and the scheme is effective. © 2004 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2004     

A compact finite difference scheme for solving a three‐dimensional heat transport equation in a thin film

Heat transport at the microscale is of vital importance in microtechnology applications. The heat transport equation differs from the traditional heat diffusion equation in having a second‐order derivative of temperature with respect to time and a third‐order mixed derivative of temperature with respect to space and time. In this study, we develop a high‐order compact finite difference scheme for the heat transport equation at the microscale. It is shown by the discrete Fourier analysis method that the scheme is unconditionally stable. Numerical results show that the solution is accurate. © 2000 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 16: 441–458, 2000     

A convergent three‐level finite difference scheme for solving a dual‐phase‐lagging heat transport equation in spherical coordinates

Heat transport at the microscale is of vital importance in microtechnology applications. The heat transport equation is different from the traditional heat diffusion equation since a second‐order derivative of temperature with respect to time and a third‐order mixed derivative of temperature with respect to space and time are introduced. In this study, we consider the heat transport equation in spherical coordinates and develop a three‐level finite difference scheme for solving the heat transport equation in a microsphere. It is shown that the scheme is convergent, which implies that the scheme is unconditionally stable. Results show that the numerical solution converges to the exact solution. © 2003 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 20: 60–71, 2004.     

A finite difference scheme for solving a nonlinear hyperbolic two-step model in a double-layered thin film exposed to ultrashort-pulsed lasers with nonlinear interfacial conditions

Hyperbolic two-step microscale heat transport equations have attracted attention in thermal analysis of thin metal films exposed to ultrashort-pulsed lasers. Exploration of temperature-dependent thermal properties is absolutely necessary to advance our fundamental understanding of microscale (ultrafast) heat transport. In this article, we develop a finite difference scheme, by obtaining an energy estimate, for solving the hyperbolic two-step model with temperature-dependent thermal properties in a double-layered microscale thin film with nonlinear interfacial conditions irradiated by ultrashort-pulsed lasers. The method is illustrated by investigating the heat transfer in a gold layer on a chromium layer.     

An unconditionally stable finite difference scheme for solving a 3D heat transport equation in a sub-microscale thin film

Heat transport at the microscale is of vital importance in microtechnology applications. The heat transport equation is different from the traditional heat diffusion equation since a second-order derivative of temperature with respect to time and a third-order mixed derivative of temperature with respect to space and time are introduced. In this study, we develop a finite difference scheme with two levels in time for the 3D heat transport equation in a sub-microscale thin film. It is shown by the discrete energy method that the scheme is unconditionally stable. The 3D implicit scheme is then solved by using a preconditioned Richardson iteration, so that only a tridiagonal linear system is solved for each iteration. The numerical procedure is employed to obtain the temperature rise in a gold sub-microscale thin film.     

AN UNCONDITIONALLY STABLE HYBRID FE-FD SCHEME FOR SOLVING A 3-D HEAT TRANSPORT EQUATION IN A CYLINDRICAL THIN FILM WITH SUB-MICROSCALE THICKNESS

Heat transport at the microscale is of vital importance in microtechnology applications.The heat transport equation is different from the traditional heat transport equation since a second order derivative of temperature with respect to time and a third-order mixed derivative of temperature with respect to space and time are introduced. In this study,we develop a hybrid finite element-finite difference (FE-FD) scheme with two levels in time for the three dimensional heat transport equation in a cylindrical thin film with submicroscale thickness. It is shown that the scheme is unconditionally stable. The scheme is then employed to obtain the temperature rise in a sub-microscale cylindrical gold film. The method can be applied to obtain the temperature rise in any thin films with sub-microscale thickness, where the geometry in the planar direction is arbitrary.     

High accuracy finite difference scheme for three-dimensional microscale heat equation

A compact finite difference scheme is developed to the three-dimensional microscale heat transport equation. This new scheme is fourth order in space and second order in time. It is proved to be unconditionally stable with respect to initial values. Numerical results are provided for comparison testing purpose.     

Nonstandard methods for the convective‐dispersive transport equation with nonlinear reactions

A new nonstandard Eulerian‐Lagrangian method is constructed for the one‐dimensional, transient convective‐dispersive transport equation with nonlinear reaction terms. An “exact” difference scheme is applied to the convection‐reaction part of the equation to produce a semi‐discrete approximation with zero local truncation errors with respect to time. The spatial derivatives involved in the remaining dispersion term are then approximated using standard numerical methods. This approach leads to significant, qualitative improvements in the behavior of the numerical solution. It suppresses the numerical instabilities that arise from the incorrect modeling of derivatives and nonlinear reaction terms. Numerical experiments demonstrate the scheme's ability to model convection‐dominated, reactive transport problems. © 1999 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 15: 617–624, 1999     

Solution of nonlinear convection-diffusion problems by a conservative Galerkin-characteristics method

We consider a scheme for nonlinear (degenerate) convection dominant diffusion problems that arise in contaminant transport in porous media with equilibrium adsorption isotherm. This scheme is based on a regularization relaxation scheme that has been introduced by Jäger and Ka?ur (Numer Math 60:407–427, 1991; M²AN Math Model Numer Anal 29(N5):605–627, 1995) with a type of numerical integration by Bermejo (SIAM J Numer Anal 32:425–455, 1995) to the modified method of characteristics with adjusted advection MMOCAA that was recently developed by Douglas et al. (Numer Math 83(3):353–369, 1999; Comput Geosci 1:155–190, 1997). We present another variant of adjusting advection method. The convergence of the scheme is proved. An error estimate of the approximated scheme is derived. Computational experiments are carried out to illustrate the capability of the scheme to conserve the mass.     

Improving the convergence behavior of hierarchical atomistic-to-continuum multiscale models using stochastic approximation

The aim of this work is to provide an improved information exchange in hierarchical atomistic-to-continuum models by applying stochastic approximation (SA) methods. A typical hierarchical two-scale model is chosen and enhanced. Due to very high computational cost, the microscale of this model may not be sufficiently sampled in practical calculations; a problem, which was recently investigated in [1]. As a consequence, the microscale produces noise-corrupted output due to thermal effects. The thermal noise creates a setting that shows remarkable resemblance to the Robbins-Monro iteration scheme known from SA. This resemblance justifies the use of two averaging strategies known to improve the convergence behavior of SA schemes under certain, fairly general, conditions. No additional computational cost is introduced by this approach. The proposed strategies implemented in the multiscale model are tested on a numerical example. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

An adaptive approach for modeling a fiber-matrix composite with the FE2 method

In materials with a complicated microstructre [1], the macroscopic material behaviour is unknown. In this work a Fiber-Matrix composite is considered with elasto-plastic fibers. A homogenization of the microscale leads to the macroscopic material properties. In the present work, this is realized in the frame of a FE² formulation. It combines two nested finite element simulations. On the macroscale, the boundary value problem is modelled by finite elements, at each integration point a second finite element simulation on the microscale is employed to calculate the stress response and the material tangent modulus. One huge disadvantage of the approach is the high computational effort. Certainly, an accompanying homogenization is not necessary if the material behaves linear elastic. This motivates the present approach to deal with an adaptive scheme. An indicator, which makes use of the different boundary conditions (BC) of the BVP on microscale, is suggested. The homogenization with the Dirichlet BC overestimates the material tangent modulus whereas the Neumann BC underestimates the modulus [2]. The idea for an adaptive modeling is to use both of the BCs during the loading process of the macrostructure. Starting initially with the Neumann BC leads to an overestimation of the displacement response and thus the strain state of the boundary value problem on the macroscale. An accompanying homogenization is performed after the strain reaches a limit strain. Dirichlet BCs are employed for the accompanying homogenization. Some numerical examples demonstrate the capability of the presented method. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Chemo-Thermo-Mechanics Coupling Applied in Hardened Cement Paste

In this contribution, the model of concrete deterioration due to alkali silica reaction(ASR) at the microscale is set up. Based on a three-dimensional micro computer-tomography, a finite-element mesh is constructed at the micrometer length scale and 3D coupled Chemo-Themo-Mechanics model in hardened cement paste(HCP) accounting for diffusion, heat transport, micro-crack is developed with staggering method. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

The heterogeneous multiscale method as a framework for coupling the finite element method and molecular dynamics

Hierarchical two-scale methods are computationally very powerful as there is no direct coupling between the macro- and microscale. Such schemes develop first a microscale model under macroscopic constraints, then the macroscopic constitutive laws are found by averaging over the microscale. The heterogeneous multiscale method (HMM) is a general top-down approach for the design of multiscale algorithms. While this method is mainly used for concurrent coupling schemes in the literature, the proposed methodology also applies to a hierarchical coupling. This contribution discusses a hierarchical two-scale setting based on the heterogeneous multi-scale method for quasi-static problems: the macroscale is treated by continuum mechanics and the finite element method and the microscale is treated by statistical mechanics and molecular dynamics. Our investigation focuses on an optimised coupling of solvers on the macro- and microscale which yields a significant decrease in computational time with no associated loss in accuracy. In particular, the number of time steps used for the molecular dynamics simulation is adjusted at each iteration of the macroscopic solver. A numerical example demonstrates the performance of the model. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Magnetogasdynamic natural convection in a long vertical microchannel

Since the transport behavior of ionized gases at the microscale could be influenced by an applied magnetic field with ease, microscale magnetogasdynamics (MGD) promises to be particularly advantageous for magnetically controllable microfluidic devices. The purpose of this study is to investigate how magnetic force affects the MGD natural convection within a long asymmetrically heated vertical planar microchannel. The fully developed solutions of the thermal-flow fields and their characteristics are analytically derived on the basis of the first-order slip and jump boundary conditions and then presented for the thermophysical properties of ionized air at the standard reference state flowing through the microchannel with complete accommodation. The calculated results reveal that magnetic force plays a damping role in flow and results in decreases in flow rate, average flow drag, and average heat transfer rate. In addition, it is interesting that because the flow near the core is suppressed and the shear stress on the wall surface is reduced by the magnetic effects, a flatter velocity profile could be achieved by a greater magnetic force. These magnetic effects could be further magnified by increasing gas rarefaction or increasing cooler wall temperature.     

A Hybrid Finite Volume Method for Advection Equations and Its Applications in Population Dynamics

We present in this article a very adapted finite volume numerical scheme for transport type‐equation. The scheme is an hybrid one combining an anti‐dissipative method with down‐winding approach for the flux (Després and Lagoutière, C R Acad Sci Paris Sér I Math 328(10) (1999), 939–944; Goudon, Lagoutière, and Tine, Math Method Appl Sci 23(7) (2013), 1177–1215) and an high accurate method as the WENO5 one (Jiang and Shu, J Comput Phys 126 (1996), 202–228). The main goal is to construct a scheme able to capture in exact way the numerical solution of transport type‐equation without artifact like numerical diffusion or without “stairs” like oscillations and this for any regular or discontinuous initial distribution. This kind of numerical hybrid scheme is very suitable when properties on the long term asymptotic behavior of the solution are of central importance in the modeling what is often the case in context of population dynamics where the final distribution of the considered population and its mass preservation relation are required for prediction. © 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 1114–1142, 2017     

KP<Subscript>1</Subscript> acceleration scheme for inner iterations consistent with the weighted diamond differencing scheme for the transport equation in three-dimensional geometry

For the transport equation in three-dimensional (r, ?, z) geometry, a KP₁ acceleration scheme for inner iterations that is consistent with the weighted diamond differencing (WDD) scheme is constructed. The P ₁ system for accelerating corrections is solved by an algorithm based on the cyclic splitting method (SM) combined with Gaussian elimination as applied to auxiliary systems of two-point equations. No constraints are imposed on the choice of the weights in the WDD scheme, and the algorithm can be used, for example, in combination with an adaptive WDD scheme. For problems with periodic boundary conditions, the two-point systems of equations are solved by the cyclic through-computations method elimination. The influence exerted by the cycle step choice and the convergence criterion for SM iterations on the efficiency of the algorithm is analyzed. The algorithm is modified to threedimensional (x, y, z) geometry. Numerical examples are presented featuring the KP₁ scheme as applied to typical radiation transport problems in three-dimensional geometry, including those with an important role of scattering anisotropy. A reduction in the efficiency of the consistent KP₁ scheme in highly heterogeneous problems with dominant scattering in non-one-dimensional geometry is discussed. An approach is proposed for coping with this difficulty. It is based on improving the monotonicity of the difference scheme used to approximate the transport equation.     

Convergence of two-dimensional Nyström discrete-ordinates in solving the linear transport equation

Summary In the discrete-ordinates approximation to the linear transport equation, the integration over the directional variable is replaced by a numerical quadrature rule involving a weighted sum over functional values at selected directions. The purpose of this paper is to show that the Nyström technique of defining the angular flux in directions other than the quadrature points, as outlined by P.M. Anselone and A. Gibbs and utilized by P. Nelson for anisotropically scattering slabs, produces an approximation scheme which is stable, consistent with, and convergent to the transport equation in two-dimensional geometry.     

A positive spatial advection scheme on unstructured meshes for tracer transport

Modelling tracer transport (leading to a single linear advection–diffusion equation) for realistic data provides a challenging task with respect to the robustness of the underlying numerical procedures. In this paper, we contribute at this point by formulating a positive spatial advection scheme for unstructured triangular meshes. The proof of positivity is presented in detail, using an elementary classification. It is shown that with a careful reconstruction procedure and a moderate demand towards the grid a positive advection scheme is obtained. Next, a brief discussion is given on how we implement this scheme in combination with an implicit time-stepping procedure. As a numerical example, we discuss tracer transport in a strongly heterogeneous porous medium.     

On the Computational Homogenization of Transient Diffusion Problems

In this contribution, we address the computational treatment of transient diffusion problems with heterogeneous microstructures using first-order homogenization. There, we treat two different cases, firstly, when the transient part at the microscale can be neglected due to the vanishingly small size of the representative volume element (RVE) and secondly, when no steady state is reached at the microscale. This is the case when dealing with a relaxed version of the scale separation condition. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Macroscale modelling of multilayer diffusion: Using volume averaging to correct the boundary conditions

This paper investigates the form of the boundary conditions (BCs) used in macroscale models of PDEs with coefficients that vary over a small length-scale (microscale). Specifically, we focus on the one-dimensional multilayer diffusion problem, a simple prototype problem where an analytical solution is available. For a given microscale BC (e.g., Dirichlet, Neumann, Robin, etc.) we derive a corrected macroscale BC using the method of volume averaging. For example, our analysis confirms that a Robin BC should be applied on the macroscale if a Dirichlet BC is specified on the microscale. The macroscale field computed using the corrected BCs more accurately captures the averaged microscale field and leads to a reconstructed microscale field that is in excellent agreement with the true microscale field. While the analysis and results are presented for one-dimensional multilayer diffusion only, the methodology can be extended to and has implications on a broader class of problems.