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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Algorithms Development in Materials Science and Engineering
Presentation Title A simulated annealing technique for atomic environment rectification
Author(s) Dylan Miley, Manisha Tripathy, Gregory Thomphson, Jeremy Mason
On-Site Speaker (Planned) Dylan Miley
Abstract Scope Atom probe tomography (APT) is a materials characterization technique that offers tremendous insight into 3-dimensional atomic environments from bulk samples, though the spatial insight is limited by detector efficiency and spatial uncertainty. This work establishes a technique to rectify observed atomic environments and surpass resolution and detector limits imposed by the conventional APT process. A cyclical simulated annealing methodology is developed to find energetically favorable and physically realizable states from APT data.This method is first applied to a monoatomic Nickel sample containing a grain boundary and extended to study multi-element and multi-phase systems.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, ICME,

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