Fig.1: Schematic illustration of polymer Chain decoding using MOF materialFig.1. Part of the process of deviation angle calculation code generation.95Poster Award NomineePoster Award NomineeP5-29AI-Assisted Crystal Plasticity Analysis of Anisotropic Cold Rolling behavior in Ni3AlJiyi Yang1,2, Yoshinao Kobayashi1, and Masahiko Demura21 School of Materials and Chemical Technology, Tokyo Institute of Technology2 Center for Basic Research on Materials, National Institute for Materials Science (NIMS)The deformation behavior of Ni3Al during cold rolling is highly anisotropic[1] and analysis based on the crystal plasticity is necessary to examine the mechanism behind it. The computational analysis requires not only the intrinsic understanding of the crystal plasticity but also the knowledge on a specific library or software for the simulation. This research presents an innovative approach that leverages a large language model such as ChatGPT to make codes necessary for the crystal plasticity analysis. Here we used the crystal plasticity simulation package, DAMASK[2]. As shown in Fig. 1, we fed proper prompting messages to ChatGPT together with the reference manual of DAMASK and could successfully obtain the codes such as input files for materials parameters and boundary conditions and python codes for executing, optimization, and post processing. Using the AI-generated codes, we conducted the crystal plasticity simulation and found that the anisotropic rolling deformation can be reproduced by assuming an exceptionally high value for the slip interaction of glissile junction pair.[1] K. Kishida et al., Philos. Mag., 83, 3029 (2003).[2] https://damask-multiphysics.org P5-30Decoding Polymer Chain Using Nano Porous MaterialBiplab Manna1, Mizuki Asami2, Nobuhiko Hosono2, and Takashi Uemura21 Center for Basic Research on Materials, National Institute for Materials Science (NIMS)2 Department of Applied Chemistry, The University of TokyoMicrostructures of polymer chains play a critical role in determining their properties. Therefore, researchers have devoted considerable efforts to developing techniques for synthesizing polymers with a controlled microstructure. However, there has been limited exploration into methods for identifying such microstructures of synthetic polymers. This study reports a new strategy for recognizing the monomer structures, compositions, and sequences of synthetic co polymers by introducing them into nano-sized pores of a metal organic framework (MOF) (Fig. 1). This technology is expected to create a new trend in separating and characterizing synthetic co polymers. Notably, this paradigm redefines the role of synthetic polymers from to serving as new information media, like how biosystems use nucleotide sequences of DNA as genetic information storage.[1][1] H. Ehara, T. Yokoyama,H. Shigematsu,S. Yokoyama,M. Shirouzu,1 S.-i. Sekine, Science, 357,921 (2017).
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