|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Atom Probe Tomography for Advanced Characterization of Metals, Minerals and Materials
||Advanced APT Simulations by Combining Electrostatics with Molecular Dynamics
||Christian Oberdorfer, Travis Withrow, Emmanuelle A Marquis, Wolfgang Windl
|On-Site Speaker (Planned)
Atom Probe Tomography (APT) has established itself as an important analysis technique in materials science to explore the three-dimensional (3D) composition of complex nano-scaled samples. Sophisticated 3D computer models of assumed sample structures combined with numeric simulation of the atom by atom field evaporation process in APT help to identify artifacts in experimental datasets and improve in this way the reliability of experimentally achieved findings. By means of a versatile state-of-the-art APT simulation approach and Molecular Dynamics (MD), we are able to simulate the irregular evaporation sequence from mechanically relaxed emitter structures. The combined framework enables field-induced forces on surface atoms as well as kinetic atom movements at elevated temperature to be taken into regard for the MD. The presentation will address the simulated APT analysis of selected materials defects in an alloy, e.g. a grain boundary, and discuss observed artifacts that emerge in the advanced approach.
||Planned: Supplemental Proceedings volume