Modeling of the nanostructural defects by implementation of molecular static method for heterogeneous hardware architectures

Łukasz Rauch , Daniel Bachniak

AGH University of Science and Technology, Mickiewicza 30, 30-059 Kraków, Poland.

DOI:

https://doi.org/10.7494/cmms.2013.1.0405

Abstract:

Dynamic development of heterogeneous hardware architectures and the increasing range of their practical applications in recent years influenced not only visualization procedures but also design and implementation of algorithms used in numerical simulations. This paper presents a part of the work on creation of multiscale approach focused on simulations of nanostructural defects in metallic materials. Two aspects are analysed within the paper i.e. qualitative (reliable simulation of interactions between nano particles on the basis of Lenard-Jones and Sutton-Chen potentials) and quantitative (comparison of performance and scalability for different devices). The results obtained for both aspects are presented in the paper and discussed in details.

Cite as:

Rauch, Ł., & Bachniak, D. (2013). Modeling of the nanostructural defects by implementation of molecular static method for heterogeneous hardware architectures. Computer Methods in Materials Science, 13(1), 16 – 21. https://doi.org/10.7494/cmms.2013.1.0405

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