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Meeting Materials Science & Technology 2019
Symposium Ceramics and Glasses Simulations and Machine Learning
Presentation Title Atomistic Modeling of Fundamental Deformation Mechanisms in MAX Phases
Author(s) Gabriel Plummer, Garritt Tucker
On-Site Speaker (Planned) Gabriel Plummer
Abstract Scope MAX phases are a large family of layered, ternary metal carbides and nitrides, which possess a unique combination of metallic and ceramic properties. While MAX phases have been recognized as remarkable materials and are utilized in a wide variety of applications, an understanding of their fundamental deformation mechanisms is still lacking. Atomistic modeling studies would contribute greatly to resolving this outstanding issue, but presently no appropriate interatomic potentials exist. Herein, an analytic bond order potential is developed for Ti3AlC2, via a fitting procedure transferable to other MAX phases. Preliminary results are presented to show the unique deformation behavior characteristic of layered materials. Deformation behavior in other applications of interest such as metal-MAX nanolaminates and radiation environments is also considered. The fundamental insight gained from these atomistic studies will allow for better engineering of MAX phases to fully take advantage of their unique properties.


Atomistic Modeling of Fundamental Deformation Mechanisms in MAX Phases
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