Carbon nanotubes (CNTs), black phosphorus nanotubes (BPNTs), and graphene derivatives exhibit significant promise for applications in nano-electromechanical systems (NEMS), energy storage, and sensing technologies due to their exceptional mechanical, electrical, and thermal properties. This review summarizes recent advances in understanding the dynamic behaviors of these nanomaterials, with a particular focus on insights gained from molecular dynamics (MD) simulations. Key areas discussed include the oscillatory and rotational dynamics of double-walled CNTs, fabrication and stability challenges associated with BPNTs, and the emerging potential of graphyne nanotubes (GNTs). The review also outlines design strategies for enhancing nanodevice performance and underscores the importance of future efforts in experimental validation, multi-scale coupling analyses, and the development of novel nanocomposites to accelerate practical deployment.

Phononic crystals (PnCs) possessing desired bandgaps find many potential applications for elastic wave manipulation. Considering the propagating essence of three-dimensional (3D) elastic waves and the interface influence of multiphase material, the bandgap design of 3D single-phase PnCs is crucial and appealing. Currently, the main approaches for designing 3D single-phase PnCs rely on less efficient trial-and-error approaches, which are heavily dependent on researchers' empirical knowledge. In comparison, topology optimization offers a dominant advantage by transcending the restriction of predefined microstructures and obtaining topologies with desired performance. This work targeted the exploration of various novel microstructures with exceptional performance by geometric-constrained topology optimization. To deal with high-dimensional design variables in topology optimization, the unit cell structure of a PnC was confined by pyramid symmetry to maximumly deduct the variable number of the unit cell. More importantly, to alleviate mesh dependence inherent in conventional topology optimization, node-to-node and edge-to-edge connection strategies were adopted, supplemented by the insertion of cylinders to ensure the stability of these connections. Finally, unstable PnC structures were filtered out using extra geometric constraints. Leveraging the proposed framework for the optimization of 3D single-phase PnCs, various novel structures were obtained. Particularly, our results demonstrate that PnC structures with only one type of mass lump exhibit significant potential to possess outstanding performance, and geometric configurations of the ultimately optimized structures are intricately linked to the particular sequence of the bandgaps.