1110 Frontier in nano-scale graphene and AI-assisted design of graphene-like architect materials

  • Zhao Qin, Syracuse University
  • Chi-Hua Yu, National Cheng Kung University, Tainan City 701, Taiwan

Graphene-like 2D materials and their allotropes (e.g., nanotube, buckyball, and graphyne) lead to the 2D wonderland by realizing distinct material features through atomically thin while mechanically robust constituents. They are chemically synthesized at the nanoscale and applied to small devices, while their large-scale applications require methods to design and realize their structures that enable their synergistic function, which is challenging. Their lattice materials with hierarchical structures can be synthesized in experiments in different ways, enabling multi functionalities through their structures. Design of these materials may refer to nature or computational design (e.g., molecular modeling, machine learning, etc), leading to innovative lattice structures composed of graphene-like allotropes of advanced material functions (e.g., mechanical strength, lightweight, thermal, optical, acoustic, and electronic features). This MS aims to gather methods in theoretical design and experimental synthesis of graphene-like architect materials. Topics of interests include but are not limited to the following:

Multiscale computational modeling and high-throughput simulation of architect materials composed of graphene-like 2D building blocks
Lightweight architect materials with extreme mechanics (e.g., strength, toughness, stiffness, fatigue resistance, etc)
Structural and mechanical optimization of architect materials from nano to continuum scales with advanced computational algorithms
Advanced synthesis and multifunctional characterization of these nanomaterials for their unique structural-function relationship
Massive applications (e.g., semiconducting, energy storage, photosynthesis, and energy harvest, active media for packaging and drug delivery, sound/light/thermal cloak, lightweight structural material, separation membranes for liquid/gas filtration, etc) of functional materials.

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