کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10672446 1009859 2015 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Applications of a versatile modelling approach to 3D atom probe simulations
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فناوری نانو (نانو تکنولوژی)
پیش نمایش صفحه اول مقاله
Applications of a versatile modelling approach to 3D atom probe simulations
چکیده انگلیسی
The article addresses application examples of a flexible simulation approach, which is based on an irregular mesh of Voronoi cells. The detailed atomic structure of APT field emitters is represented by Wigner-Seitz cells. In this way, arbitrary crystal structures can be modelled. The electric field results from the solution of the Poisson equation. The evaporation sequence of atoms from the emitter surface is enabled by calculation of the field-induced force, which acts on the surface cells. Presented examples show simulated field desorption maps of a cubic fcc <111> structure in comparison to the close-packed hcp <0001> structure. Additionally, the desorption maps of the cubic sc, bcc, and fcc lattices in <011> orientation are presented. The effect of inhomogeneous evaporation conditions on the emitter apex curvature is demonstrated. Reconstructions derived from the simulation of Σ5 GBs differently inclined with respect to the emitter axis are analyzed. Finally, the stress exerted on an embedded nano-particle during the simulated evaporation with inhomogeneous evaporation thresholds is estimated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Ultramicroscopy - Volume 159, Part 2, December 2015, Pages 184-194
نویسندگان
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