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Oberdorfer, Christian: Numeric simulation of atom probe tomography. 2014
Inhalt
1 Introduction
2 Background: Atom Probe Microscopy
2.1 Field emission
2.1.1 Historic context: field electron emission
2.1.2 Field ion emission
2.1.3 Field desorption and field evaporation
2.2 Basic principles of atom probe tomography
2.2.1 Sample geometry and image formation
2.2.2 Field desorption experiments
2.2.3 Outline of the APT measurement process
2.2.4 Constitution of the 3D reconstruction
2.2.5 Enhanced reconstruction approach dedicated to wide angle instruments
2.3 Present challenges
3 Numeric and algorithmic prerequisites
3.1 Foundations of mesh generation
3.1.1 Geometric convexity
3.1.2 Properties of simplices
3.1.3 Delaunay tessellation
3.1.4 Voronoi tessellation
3.2 Discrete solution of the Poisson equation in electrostatics
3.2.1 Basic electrostatics
3.2.2 Regular mesh
3.2.3 Irregular mesh
3.3 Ion trajectories and the electric field
4 Implemented simulation approaches
4.1 Basic model according to Vurpillot's approach
4.1.1 Increasing numeric resolution
4.1.2 Distinguished evaporation thresholds
4.1.3 Statistic evaporation
4.1.4 Extension to include dielectricity
4.1.5 Discussion
4.2 New generalized approach
4.2.1 Foundation by an irregular mesh
4.2.2 Assisted mesh generation
4.2.3 Properties of the electrostatic solution
4.2.4 Consideration of the polarization force for evaporation
5 Imaging characteristics of detector events
5.1 Field properties and trajectories
5.1.1 Field factor
5.1.2 Image compression
5.1.3 Interdependence of surface field and image compression
5.2 Detector event maps
5.2.1 Surface imaging mode
5.2.2 Desorption mode
5.2.3 Atom displacements in the desorption mode
5.3 Statistic desorption under the influence of temperature
6 Quality of the 3D reconstruction
6.1 Geometric consistency
6.2 Spatial resolution determined by 3D Fourier analysis
7 Evaluation of model emitter structures
7.1 Exerted stress on an embedded particle
7.2 Simulated evaporation of a complex multi-layer structure
7.2.1 Curvature changes at the apex
7.2.2 Consistent control of the evaporation sequence
7.2.3 Additional information required for direct comparison with experimental data
7.3 Investigation of a grain boundary in copper
7.3.1 Different inclination angles
7.3.2 Segregation effects
8 Conclusion
A Derivation of the discrete Poisson equation on the regular mesh
B Computing the electric field on the irregular mesh (2nd order)
Bibliography