Surya R. Kalidindi^1,2,3, Stephen R. Niezgoda¹, Giacomo L,i^1,1, Tony Fast¹

CMC-Computers, Materials & Continua, Vol.17, No.2, pp. 103-126, 2010, DOI:10.3970/cmc.2010.017.103

Abstract This paper presents a novel mathematical framework for building a comprehensive materials knowledge system (MKS) to extract, store and recall hierarchical structure-property-processing linkages for a broad range of material systems. This new framework relies heavily on the use of computationally efficient FFT (Fast Fourier Transforms)-based algorithms for data-mining local structure-response-structure evolution linkages from large numerical datasets produced by established modelling strategies for microscale phenomena. Another salient feature of this new framework is that it facilitates flow of high fidelity information in both directions between the constituent length scales, and thereby offers a new strategy for concurrent multi-scale modelling of materials… More >

Hrvoje Gotovac¹, Vedrana Kozulić², Blaž Gotovac¹

CMC-Computers, Materials & Continua, Vol.15, No.3, pp. 173-198, 2010, DOI:10.3970/cmc.2010.015.173

Abstract The space-time Adaptive Fup Collocation Method (AFCM) for solving boundary-initial value problems is presented. To solve the one-dimensional initial boundary value problem, we convert the problem into a two-dimensional boundary value problem. This quasi-boundary value problem is then solved simultaneously in the space-time domain with a collocation technique and by using atomic Fup basis functions. The proposed method is a generally meshless methodology because it requires only the addition of collocation points and basis functions over the domain, instead of the classical domain discretization and numerical integration. The grid is adapted progressively by setting the threshold as a direct measure… More >

Chia-Ming Fan^1,2, Chein-Shan Liu³, Weichung Yeih¹, Hsin-Fang Chan¹

CMC-Computers, Materials & Continua, Vol.15, No.1, pp. 67-86, 2010, DOI:10.3970/cmc.2010.015.067

Abstract In this study, the nonlinear obstacle problems, which are also known as the nonlinear free boundary problems, are analyzed by the scalar homotopy method (SHM) and the finite difference method. The one- and two-dimensional nonlinear obstacle problems, formulated as the nonlinear complementarity problems (NCPs), are discretized by the finite difference method and form a system of nonlinear algebraic equations (NAEs) with the aid of Fischer-Burmeister NCP-function. Additionally, the system of NAEs is solved by the SHM, which is globally convergent and can get rid of calculating the inverse of Jacobian matrix. In SHM, by introducing a scalar homotopy function and… More >

Chih-Wen Chang¹, Chein-Shan Liu², Jiang-Ren Chang³

CMC-Computers, Materials & Continua, Vol.15, No.1, pp. 45-66, 2010, DOI:10.3970/cmc.2010.015.045

Abstract In this article, we propose a semi-analytical method to tackle the two-dimensional backward heat conduction problem (BHCP) by using a quasi-boundary idea. First, the Fourier series expansion technique is employed to calculate the temperature field u(x, y, t) at any time t < T. Second, we consider a direct regularization by adding an extra termau(x, y, 0) to reach a second-kind Fredholm integral equation for u(x, y, 0). The termwise separable property of the kernel function permits us to obtain a closed-form regularized solution. Besides, a strategy to choose the regularization parameter is suggested. When several numerical examples were tested,… More >

Nadipuram R. Prasad¹, Salvador Almanza-Garcia¹, Thomas T. Lu²

CMC-Computers, Materials & Continua, Vol.14, No.1, pp. 1-22, 2009, DOI:10.3970/cmc.2009.014.001

Abstract The paper presents a revolutionary framework for the modeling, detection, characterization, identification, and machine-learning of anomalous behavior in observed phenomena arising from a large class of unknown and uncertain dynamical systems. An evolved behavior would in general be very difficult to correct unless the specific anomalous event that caused such behavior can be detected early, and any consequence attributed to the specific anomaly following its detection. Substantial investigative time and effort is required to back-track the cause for abnormal behavior and to recreate the event sequence leading to such abnormal behavior. The need to automatically detect anomalous behavior is therefore… More >

Wen Chen^1,2, Zhuo-Jia Fu^1,3, Qing-Hua Qin³

CMC-Computers, Materials & Continua, Vol.13, No.3, pp. 201-218, 2009, DOI:10.3970/cmc.2009.013.201

Abstract This paper presents high-order Trefftz functions for some commonly used differential operators. These Trefftz functions are then used to construct boundary particle method for solving inhomogeneous problems with the boundary discretization only, i.e., no inner nodes and mesh are required in forming the final linear equation system. It should be mentioned that the presented Trefftz functions are nonsingular and avoids the singularity occurred in the fundamental solution and, in particular, have no problem-dependent parameter. Numerical experiments demonstrate the efficiency and accuracy of the present scheme in the solution of inhomogeneous problems. More >

B.B. Karki¹, D. Bhattarai¹, L. Stixrude²

CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 107-118, 2006, DOI:10.3970/cmc.2006.003.107

Abstract Computer modeling of liquid phase poses tremendous challenge: It requires a relatively large simulation size, long simulation time and accurate interatomic interaction and as such, it produces massive amounts of data. Recent advances in hardware and software have made it possible to accurately simulate the liquid phase. This paper reports the details of methodology used in the context of liquid simulations and subsequent analysis of the output data. For illustration purpose, we consider the results for the liquid phases of two geophysically relevant materials, namely MgO and MgSiO₃. The simulations are performed using the parallel first-principles molecular dynamics (FPMD) technique… More >

B. Šarler¹, R.Vertnik, J. Perko¹

CMC-Computers, Materials & Continua, Vol.2, No.1, pp. 77-84, 2005, DOI:10.3970/cmc.2005.002.077

Abstract The steady-state convective-diffusive solid-liquid phase change problem associated with temperature fields in direct-chill, semi-continuously cast billets and slabs from aluminum alloys has been solved by the Diffuse Approximate Method (DAM). The solution is based on formulation, which incorporates the mixture continuum physical model, nine-noded support, second order polynomial trial functions, and Gaussian window weighting functions. Realistic boundary conditions and temperature variation of material properties are included. Two-dimensional test case solution is shown, verified by comparison with the Finite Volume Method (FVM) results for coarse and fine grid arrangement. More >

T. Tsangaris¹, Y.–S. Smyrlis^{1, 2}, A. Karageorghis^{1, 2}

CMC-Computers, Materials & Continua, Vol.1, No.3, pp. 245-258, 2004, DOI:10.3970/cmc.2004.001.245

Abstract The Method of Fundamental Solutions (MFS) is a boundary-type method for the solution of certain elliptic boundary value problems. In this work, we develop an efficient matrix decomposition MFS algorithm for the solution of biharmonic problems in annular domains. The circulant structure of the matrices involved in the MFS discretization is exploited by using Fast Fourier Transforms. The algorithm is tested numerically on several examples. More >