Berlin 2012 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 37: Topical Session Modern Atom Probe Tomography I - Fundamentals

MM 37.2: Talk

Wednesday, March 28, 2012, 15:30–15:45, H 0107

Multiscale 3D Simulation Of Atom Probe Measurements — •Christian Oberdorfer and Guido Schmitz — Institut für Materialphysik, Münster, Germany

A crucial step in atom probe tomography (APT) is the computer aided post processing of the raw measurement data in order to obtain 3D elemental distribution maps. In the case of modern instruments with improved field of view and due to distinguished properties for field evaporation these maps suffer from artifacts.

The talk will address this observation by presenting recent results from computer simulations.

Main features of the presented simulation scheme are the possibility to prepare arbitrary sample structures without any constraints on distinct lattice types or lattice orientations. The representation of single atoms by Wigner-Seitz cells allows even amorphous arrangements, and, in addition, also structural defects may be incorporated.

At the same time the foundation on an adaptive mesh allows the solution of the Poisson equation covering the mesoscopic scale with suited accuracy. This way, simulated ion trajectories reflect the experimental conditions and resulting datasets become comparable to experimental ones.