Atomistic simulation of stacking fault tetrahedra formation in Cu
作者： B.D Wirth , V Bulatov , T Diaz de la Rubia
DOI: 10.1016/S0022-3115(00)00262-2
关键词: Mineralogy 、 Cubic crystal system 、 Atom 、 Work (thermodynamics) 、 Chemical physics 、 Microstructural evolution 、 Stacking fault 、 Displacement (vector) 、 Chemistry 、 Molecular dynamics 、 Tetrahedron
摘要: Atomistic simulations based on the embedded atom method (EAM) are used to model formation of stacking fault tetrahedra (SFT) in face centered cubic (fcc) Cu. SFTs observed fcc metals following both irradiation and plastic deformation have significant impact defect accumulation microstructural evolution irradiated material. Many authors proposed SFT mechanisms; however, a concise atomistic view is lacking. Starting from vacancy-rich regions produced high-energy displacement cascades, we performed molecular dynamics (MD) at range temperatures formation. In this work, provide an picture
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