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Atomistic investigations of single-crystal silicon with pre-existing defects

Fu, Qiang, Zhan, Haifei, & Gu, YuanTong (2012) Atomistic investigations of single-crystal silicon with pre-existing defects. Advanced Science Letters, 14(1), pp. 165-170.

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    Molecular dynamics (MD) simulations have been employed to investigate the single-crystal Si properties with different pre-existing cavities under nanoindentation. Cavities with different radii and positions have been considered. It is found that pre-existing cavities in the Si substrate would obviously influence the mechanical properties of Si under nanoindentation. Furthermore, pre-existing cavities would absorb part of the strain energy during loading and then release during unloading. It would decrease plastic deformation to the substrate. Particularly, the larger of the cavity or the nearer of the cavity to the substrate’s top surface, the larger decrease of Young’s modulus and hardness is usually observed. Just as expected, the larger offset of the cavity in the lateral direction, the less influence is usually seen.

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    ID Code: 53054
    Item Type: Journal Article
    Keywords: nanoindentation, defects, phase transformation, molecular dynamics
    DOI: 10.1166/asl.2012.3997
    ISSN: 1936-6612
    Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Materials Engineering not elsewhere classified (091299)
    Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
    Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanoscale Characterisation (100712)
    Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
    Past > QUT Faculties & Divisions > Faculty of Science and Technology
    Copyright Owner: Copyright 2012 American Scientific Publishers
    Deposited On: 13 Aug 2012 08:19
    Last Modified: 06 Jun 2013 18:06

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