Computational Nanomechanics of Materials

Authors: Liu, Wing Kam; Jun, Sukky; Qian, Dong

Source: Journal of Computational and Theoretical Nanoscience, Volume 5, Number 5, May 2008 , pp. 970-996(27)

Publisher: American Scientific Publishers

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Abstract:

We present a review of computational methods and their applications for nanoscale mechanics of materials. Brief introductory overviews of first-principles calculations and molecular dynamics simulations are first provided, followed by various applications such as fracture mechanics and plasticity at the nanoscale. Next, recent advancement of multiscale materials modeling is reviewed, spanning from electronic scale to continuum scale. Among many multiscale methods, two newly proposed methods, the multiscale continuum theory and the virtual atom cluster model, are introduced with more details.

Keywords: NANOMECHANICS; MULTISCALE MODELING; FIRST-PRINCIPLES CALCULATIONS; MOLECULAR DYNAMICS; MATERIALS MECHANICS

Document Type: Review article

DOI: http://dx.doi.org/10.1166/jctn.2008.007

Publication date: 2008-05-01

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Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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