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Developing Data Analytical Tools to Map Crystalline Defects from APT 3D Compositional Point Cloud Maps


EMSL Project ID
60211

Abstract

The atom-by-atom 3D point cloud composition mapping produced by Atom Probe Tomography (APT) provides the potential to directly measure nanocrystalline structure and identify specific lattice defects, such as those produced during radiation damage or even during a catalytic or oxidative surface reaction. However, the lack of computational tools that can be applied to APT data to quantitatively determine crystalline lattice structure down to an atomic- to near-atomic-level hinders the development of dynamic theoretical models aimed at either mitigating or exploiting such defects. Here we propose to develop a Machine Learning (ML) model capable of identifying lattice defects within 3D APT point cloud composition maps. As a general means to develop such ML models, our focus will be centered around analysis of already-existing APT data from neutron and ion beam irradiated materials and provide a means to identify and correlate physical lattice defects with irradiated dose. The outcome of this proposed work will be the development of a general ML framework and computational tools for identifying lattice defects that can be broadly applied broadly to materials relevant to existing and future PNNL programs.

Project Details

Start Date
2021-10-01
End Date
N/A
Status
Active

Team

Principal Investigator

Daniel Perea
Institution
Environmental Molecular Sciences Laboratory

Team Members

Aditi Sonal
Institution
Environmental Molecular Sciences Laboratory

Mark Wirth
Institution
Environmental Molecular Sciences Laboratory

Elizabeth Kautz
Institution
Pacific Northwest National Laboratory

Alexander Bard
Institution
University of Washington

Dallas Reilly
Institution
Pacific Northwest National Laboratory

Jing Wang
Institution
Pacific Northwest National Laboratory

Karen Kruska
Institution
Pacific Northwest National Laboratory

Peter Pauzauskie
Institution
University of Washington

Matthew Olszta
Institution
Pacific Northwest National Laboratory