Shu-Feng Lee¹, Che-Wun Hong^1,2

CMC-Computers, Materials & Continua, Vol.12, No.3, pp. 223-236, 2009, DOI:10.3970/cmc.2009.012.223

Abstract Solid oxides, such as ceria (CeO₂) doped with cations of lower valance, are potential electrolytes for future solid oxide fuel cells. This is due to the theoretically high ionic conductivity at low operation temperature. This paper investigates the feasibility of two potential electrolytes which are samarium-doped ceria (SDC) and gadolinium-doped ceria (GDC) to replace the traditional yttria-stablized zirconia (YSZ). Molecular simulation techniques were employed to study the influence of different dopant concentrations at different operation temperatures on the ionic conductivity from the atomistic perspective. Simulation results show that the optimized ionic conductivity occurs at 11.11mol% concentration using both dopants of… More >

José Pedro Rino¹,Giovano de Oliveira Cardozo¹, Adalberto Picinin¹

CMC-Computers, Materials & Continua, Vol.12, No.2, pp. 145-156, 2009, DOI:10.3970/cmc.2009.012.145

Abstract A new parametrization for the previous empirical interatomic potential for indium antimonite is presented. This alternative parametrization is designed to correct the energetic sequence of structures. The effective empirical interatomic potential proposed consists of two and three body interactions which has the same functional form of the interatomic potential proposed by Vashishta et. al. to study other semiconductors (Branicio et al., 2003; Ebbsjo et al., 2000; Shimojo et al., 2000; Vashishta et al., 2008). Molecular dynamics simulations (MD) are performed to study high pressure phases of InSb up to 70 GPa and its thermal conductivity as a function of temperature.… More >

S. Mukherjee¹, S. Chakraborty², I. Manna^1,3

CMC-Computers, Materials & Continua, Vol.10, No.3, pp. 217-228, 2009, DOI:10.3970/cmc.2009.010.217

Abstract Influence of power density and interaction time for austenitisation during laser surface hardening of plain carbon eutectoid steel has been investigated. The analysis involves numerical prediction of thermal and solute diffusion profiles and thereby, the time needed for homogenization of austenite for different processing conditions. Experimental results provide qualitative validation. More >

J. Ghanbari¹, R. Naghdabadi^1,2

CMC-Computers, Materials & Continua, Vol.10, No.1, pp. 41-64, 2009, DOI:10.3970/cmc.2009.010.041

Abstract Continuum-based modeling of nanostructures is an efficient and suitable method to study the behavior of these structures when the deformation can be considered homogeneous. This paper is concerned about multiscale nonlinear tensorial constitutive modeling of carbon nanostructures based on the interatomic potentials. The proposed constitutive model is a tensorial equation relating the second Piola-Kirchhoff stress tensor to Green-Lagrange strain tensor. For carbon nanotubes, some modifications are made on the planar representative volume element (RVE) to account for the curved atomic structure resulting a non-planar RVE. Using the proposed constitutive model, the elastic behavior of the graphene sheet and carbon nanotube… More >

Hamid Sharifi¹ and Augustin Gakwaya¹

CMC-Computers, Materials & Continua, Vol.3, No.2, pp. 77-96, 2006, DOI:10.3970/cmc.2006.003.077

Abstract In this paper, an object-oriented modeling of solid material constitutive behavior using the UML notation is presented. Material properties are first classified into large and small deformation kinematical models. In the small deformation package, we keep classes such as Elastic, ElastoPlastic, ViscoElastic and ViscoPlastic. In the large deformation package, we store classes such as ElastoPlastic, HyperElastic, HyperPlastic, HyperViscoElastic, HyperViscoPlastic and so on. The hierarchical structure, the association relationships as well as key attributes and methods of these classes are presented. We used a C++ implementation of the above model for developing HyperElastic, HyperElastoPlastic and Contact applications in the Diffpack environment. More >

K.Udaya Bhaskar^1,2, Sumit Tiwari², N. Ramakrishnan²

CMC-Computers, Materials & Continua, Vol.2, No.1, pp. 13-22, 2005, DOI:10.3970/cmc.2005.002.013

Abstract The investigation pertains to establishing a simulation methodology for understanding the separation characteristics of a typical hydrocyclone where the work was carried out using a commercially available CFD software. The studies included water flow profiles, water throughput {\&} product split, particle distribution etc. and the simulated results are further validated with suitably performed experiments. The work essentially highlights the performance of the hydrocyclone using numerical studies where water is used as a primary phase and solid particles as secondary ones. This methodology is expected to be useful in the design of hydrocyclones and optimizing the processes. More >