Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation

Robust Superlubricity and Moiré Lattice’s Size Dependence on Friction between Graphdiyne Layers

“…The temperature of overlayer GDY was controlled by the Nosé–Hoover thermostat while the NVT canonical ensemble was employed for the entire simulation. The Nosé–Hoover thermostat has been adopted in many MD simulations of GDY − and tribology-related MD simulations. − The initial temperature was set to be 1 K. The damping factor is set as 0.1 ps, which is suitable for most systems. The periodic boundary was adopted in the x – y plane.…”

“…The periodic boundary was adopted in the x – y plane. The C–C interaction was described by the adaptive interatomic reactive empirical bond-order (AIREBO) potential, which has been proven to be accurate at describing various carbon allotropes and has been extensively used in the GDY system. ,, The AIREBO potential is described as where E ij REBO is the reactive empirical bond-order (REBO) potential, which is described as where V R ( r ij ) and V A ( r ij ) represent the core–core pair-additive repulsive interactions and the valence electron–core pair-additive attractive interactions, respectively, r ij is the distance between atoms i and j for i , j ∈ [1, N ], N is the number of atoms, and b ij is the many-body bond-order term. The E ij REBO term in AIREBO only describes the interactions between atoms with distances less than 2.0 Å.…”

“…The C−C interaction was described by the adaptive interatomic reactive empirical bond-order (AIREBO) potential, 52 which has been proven to be accurate at describing various carbon allotropes and has been extensively used in the GDY system. 48,53,54 The AIREBO potential is described as…”

Facile and large-scale synthesis of polymorphic graphdiyne catalyzed by transition metal salts for organic pollutant removal

“…3(a), the Raman spectra of the prepared GDY under different catalysts is in accordance with the literature reports. 27,39,40 It can be observed that two very obvious peaks are the D band located at 1378 cm À1 and the G band at 1581 cm À1 . The former corresponds to the breathing vibration of the sp 2 hybrid carbon atom of the benzene ring and is the disordered band of GDY, whose strength is closely related to the structural defects, and the latter is due to the in-plane stretching vibration of the sp 2 hybrid carbon atom.…”

Experimental Study on the Thickness-Dependent Hardness of SiO2 Thin Films Using Nanoindentation

“…The nanoindentation technique has become an important means for characterizing the mechanical properties of films at micro-and nano-scale due to its high load resolution and displacement resolution [23][24][25][26]. Using the nanoindentation technique, we can determine many mechanical parameters such as hardness, elastic modulus, fracture toughness and so on [27][28][29][30]. In general, the penetration depth should be less than 10% of the film's thickness in order to avoid the substrate effect in the nanoindentation test of the thin films [31].…”