Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations
Penghua Ying, Haikuan Dong, Ting Liang, Zheyong Fan, Zheng Zhong, Jin Zhang
Topics & Concepts
MonolayerMaterials scienceMolecular dynamicsFullereneUltimate tensile strengthChemical physicsAnisotropyDensity functional theoryNanotechnologyComputational chemistryComposite materialChemistryPhysicsQuantum mechanicsOrganic chemistryGraphene research and applicationsMachine Learning in Materials ScienceDiamond and Carbon-based Materials Research