From Atom Probe Tomography Imaging to Microstructural Quantification: An Iterative Optimization Approach
Abstract
This project explored the limits and uncertainty of current structure analysis in the experimental characterization technique of atom probe tomography (APT) and explored how far the limits can be pushed with new optimized analysis algorithms. We successfully developed new approaches based on morphology, topology, cluster analysis methods, and crystallography. We developed a fully physical forward model that combines with traditional reconstruction for iterative improvement of predicted structures. We first parameterized local evaporation fields from DFT and static tip and combined it with local-field Poisson modeling. We then found the step-one approach to be insufficient and switched to full atomistic dynamics with MD simulations. Initially based on traditional, non-local evaporation fields. Finally, it became clear that including all the underlying physics was necessary, such as charging of surface atoms from the electric field, leading us to rethink a full ab initio evaporation physics model. This last step was not completed within this project and was proposed as a future project.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 19, 2022
- Accession Number
- AD1184955
Entities
People
- Marquis Emmanuelle
Organizations
- Board of Regents of the University of Michigan