4.5 Article

Nickel nanowires under uniaxial loads: A molecular dynamics simulation study

期刊

COMPUTATIONAL MATERIALS SCIENCE
卷 44, 期 2, 页码 378-384

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ELSEVIER
DOI: 10.1016/j.commatsci.2008.03.035

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Molecular dynamics; Nanowire; Size effect; Unloading process; Temperature effect; Compression

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The mechanical properties of nickel nanowire at different temperatures are studied using molecular dynamics (MID) simulations. The inter-atomic interactions are represented by employing embedded-atom potential. In the case of uniaxial loading, the stress-strain curve at different strain rates is simulated. The effects of volume/surface ratio and temperature on mechanical properties of nickel nanowire are discussed. In particular. the loading-unloading process is modeled and the effect of unloading process on the stress-strain curve in the plastic region is investigated. Furthermore, the mechanical characterization in compression loading is carried out and the mechanism of deformation is elucidated based on the present model. The results of compression modeling show that the obtained yield stress is lower than the computed tensile yield stress. (C) 2008 Elsevier B.V. All rights reserved.

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