Walter Gerstle¹, Stewart Silling², David Read³, Vinod Tewary⁴, Richard Lehoucq⁵

CMC-Computers, Materials & Continua, Vol.8, No.2, pp. 75-92, 2008, DOI:10.3970/cmc.2008.008.075

Abstract A theoretical framework, based upon the peridynamic model, is presented for analytical and computational simulation of electromigration. The framework allows four coupled physical processes to be modeled simultaneously: mechanical deformation, heat transfer, electrical potential distribution, and vacancy diffusion. The dynamics of void and crack formation, and hillock and whisker growth can potentially be modeled. The framework can potentially be applied at several modeling scales: atomistic, crystallite, multiple crystallite, and macro. The conceptual simplicity of the model promises to permit many phenomena observed in microchips, including electromigration, thermo-mechanical crack formation, and fatigue crack formation, to be analyzed in a systematic and… More >

S. Liu¹, X. Liu^2,3, Y. Yuan², P. F. He¹, H. A. Mang^2,4

CMC-Computers, Materials & Continua, Vol.39, No.2, pp. 85-112, 2014, DOI:10.3970/cmc.2014.039.085

Abstract Autogenous shrinkage is defined as the bulk deformation of a closed, isothermal, cement-based material system, which is not subjected to external forces. It is associated with the hydration process of the cement paste. From the viewpoint of engineering practice, autogenous shrinkage deformations result in an increase of tensile stresses, which may lead to cracking of early-age concrete. Since concrete is a multi-phase composite with different material compositions and microscopic configurations at different scales, autogenous shrinkage does not only depend on the hydration of the cement paste, but also on the mechanical properties of the constituents and of their distribution. In… More >

C.J. Huang¹, T.Y. Hung¹, K.N. Chiang²

CMC-Computers, Materials & Continua, Vol.36, No.2, pp. 99-133, 2013, DOI:10.3970/cmc.2013.036.099

Abstract The development in the field of nanotechnology has prompted numerous researchers to develop various simulation methods for determining the material properties of nanoscale structures. However, these methods are restricted by the speed limitation of the central processing unit (CPU), which cannot estimate larger-scale nanoscale models within an acceptable time. Thus, decreasing the CPU processing time and retaining the estimation accuracy of physical properties of nanoscale structures have become critical issues. Accordingly, this study aims to decrease the CPU processing time and complexity of large nanoscale models by utilizing, atomistic-continuum mechanics (ACM) to build an equivalent model of carbon nanotubes (CNTs).… More >

O. U. Ojeda¹ and T. Çagınˇ ¹

CMC-Computers, Materials & Continua, Vol.16, No.2, pp. 127-174, 2010, DOI:10.3970/cmc.2010.016.127

Abstract The large discrepancy in length and time scales at which characteristic processes of energetic materials are of relevance pose a major challenge for current simulation techniques. We present a systematic study of crystalline energetic materials of different sensitivity and analyze their properties at different theoretical levels. Information like equilibrium structures, vibrational frequencies, conformational rearrangement and mechanical properties like stiffness and elastic properties can be calculated within the density functional theory (DFT) using different levels of approximations. Dynamical properties are obtained by computations using molecular dynamics at finite temperatures through the use of classical force fields. Effect of defects on structure… More >

G. Haasemann¹, M. Kästner¹ and V. Ulbricht¹

CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 131-146, 2006, DOI:10.3970/cmc.2006.003.131

Abstract Novel textile reinforced composites provide an extremely high adaptability and allow for the development of materials whose features can be adjusted precisely to certain applications. A successful structural and material design process requires an integrated simulation of the material behavior, the estimation of the effective properties which need to be assigned to the macroscopic model and the resulting features of the component. In this context two efficient modelling strategies - the Binary Model (Carter, Cox, and Fleck (1994)) and the Extended Finite Element Method (X-FEM) (Moës, Cloirec, Cartraud, and Remacle (2003)) - are used to model materials which exhibit a… More >