Ingrained: An Automated Framework for Fusing Atomic‐Scale Image Simulations into Experiments
Abstract
To fully leverage the power of image simulation to corroborate and explain patterns and structures in atomic resolution microscopy, an initial correspondence between the simulation and experimental image must be established at the outset of further high accuracy simulations or calculations. Furthermore, if simulation is to be used in context of highly automated processes or high‐throughput optimization, the process of finding this correspondence itself must be automated. In this work, “ingrained,” an open‐source automation framework which solves for this correspondence and fuses atomic resolution image simulations into the experimental images to which they correspond, is introduced. Herein, the overall “ingrained” workflow, focusing on its application to interface structure approximations, and the development of an experimentally rationalized forward model for scanning tunneling microscopy simulation are described.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Apr 05, 2022
- Source ID
- 10.1002/smll.202102960
Entities
People
- Eric Schwenker
- Jeffrey R Guest
- Jinglong Guo
- Joshua T. Paul
- Maria K Y Chan
- Mark Hersam
- Qiucheng Li
- Robert F Klie
- Rui Zhang
- Venkata Surya Chaitanya Kolluru
- Vinayak P. Dravid
- Xiaobing Hu
Organizations
- Argonne National Laboratory
- Division of Materials Research
- Northwestern University
- Office of Science
- University of Florida
- University of Illinois Urbana–Champaign