Combining experimental measurements with multi-level modeling techniques, such as finite element method, phase field, molecular dynamics simulation and first principle calculation, understand the nano and micro-mechanics of materials at the multi-level, and guide the design and fabrication of advanced materials.
(a) Detailed views of the peeling front and edges, where the width w changes with peeling. The results are obtained from our coarse-grained molecular dynamics simulations. (b) The feasibility factor σs/γi calculated for two-dimensional sheets on the substrate. (Journal of the Mechanics and Physics of Solids, 115, 248-262, 2018) (c) Tensile stiffness K, bending stiffness D. (d) The factor of consistency, c, calculated for two-dimensional materials, showing the difference in the definitions of thickness of two-dimensional materials—the thin-shell thickness or interlayer distance in their layer-by-layer assemblies. (Journal of Applied Mechanics. 82, 121012, 2015)
(a) Simulation snapshots showing the material fracture processes at different strain levels, as defined by the breakage of crosslinks. (Comptes Rendus Mecanique, 342, 264-272, 2014) (b) Molecular dynamics simulations to model the effect of twist-induced pressure on the electrochemically accessible void space within multiwalled nanotube bundles. The calculated volume-averaged lateral pressure on multiwalled nanotubes in a twistron yarn as a function of the twist density. (Science 357, 773-778, 2017) (c) Experimental characterization and mechanical modelling of graphene membranes. Deformable tensile-shear model. Detailed atomic structures of the cross-links considered in this work, which include the vacancy-induced covalent bond, the divalent atom (magnesium)-assisted coordinative bonds, and the hydrogen bond formed between two hydroxyl groups. (ACS Applied Materials and Interfaces 9, 24830–24839, 2017)