Autonomous basin climbing method with sampling of multiple transition pathways: application to anisotropic diffusion of point defects in hcp Zr

Author： Fan Yue   Yip Sidney   Yildiz Bilge  

Publisher： IOP Publishing

ISSN： 0953-8984

Source： Journal of Physics: Condensed Matter, Vol.26, Iss.36, 2014-09, pp. : 365402-365417

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