Insight into the stacking and the species-ordering dependences of interlayer bonding in SiC/GeC polar heterostructures

Two-dimensional (2D) polar materials experience an in-plane charge transfer between different elements due to their electron negativities. When they form vertical heterostructures, the electrostatic force triggered by such charge transfer plays an important role in the interlayer bonding beyond van der Waals (vdW) interaction. Our comprehensive first principle study on the structural stability of the 2D SiC/GeC hybrid bilayer heterostructure has found that the electrostatic interlayer interaction can induce the π-π orbital hybridization between adjacent layers under different stacking and out-of-plane species ordering, with strong hybridization in the cases of Si-C and C-Ge species orderings but weak hybridization in the case of the C-C ordering. In particular, the attractive electrostatic interlayer interaction in the cases of Si-C and C-Ge species orderings mainly controls the equilibrium interlayer distance and the vdW interaction makes the system attain a lower binding energy. On the contrary, the vdW interaction mostly controls the equilibrium interlayer distance in the case of the C-C species ordering and the repulsive electrostatic interlayer force has less effect. Interesting finding is that the band structure of the SiC/GeC hybrid bilayer is sensitive to the layer-layer stacking and the out-of-plane species ordering. An indirect band gap of 2.76 eV (or 2.48 eV) was found under the AA stacking with Si-C ordering (or under the AB stacking with C-C ordering). While a direct band gap of 2.00 eV – 2.88 eV was found under other stacking and species orderings, demonstrating its band gap tunable feature. Furthermore, there is a charge redistribution in the interfacial region leading to a built-in electric field. Such field will separate the photo-generated charge carriers in different layers and is expected to reduce the probability of carrier recombination, and eventually give rise to the electron tunneling between layers.

Response analysis of orthotropic steel deck pavement based on interlayer contact bonding condition

In this research the interlayer contact condition was considered between the adjacent layers of orthotropic steel deck pavement, and an interface contact bonding model was applied to simulate the interlayer bonding condition and evaluate the response of deck pavement under vehicle loads. An advantage of this model is that it can simulate not only the full-bond condition but also the debonding condition at somewhere between adjacent layers. The responses of the orthotropic steel deck pavement were calculated and analyzed by the model, and it found that this model is reasonable and credible to evaluate the responses of the deck pavement comparing with the previous researches. The full-bond condition was an ideal condition between adjacent layers, which was prone to underestimate the responses and deformation of the deck pavement. Moreover, the position and size of the disengaging area have a notable influence on the tensile strain at the top of SMA layer and the bottom of GA layer, and the tensile strain of them also increase with the increase of the disengaging area. Finally, the responses of the steel deck pavement changed obviously when the vehicle speed increase, so the suitable speed limit may reduce the responses and deformation for prolonging the service life of the orthotropic steel deck pavement.

Elasticity-based-exfoliability measure for high-throughput computational exfoliation of two-dimensional materials

Two-dimensional (2D) materials are promising candidates for uses in next-generation electronic and optoelectronic devices. However, only a few high-quality 2D materials have been mechanically exfoliated to date. One of the critical issues is that the exfoliability of 2D materials from their bulk precursors is unknown. To assess the exfoliability of potential 2D materials from their bulk counterparts, we derived an elasticity-based-exfoliability measure based on an exfoliation mechanics model. The proposed measure has a clear physical meaning and is universally applicable to all material systems. We used this measure to calculate the exfoliability of 10,812 crystals having a first-principles calculated elastic tensor. By setting the threshold values for easy and potential exfoliation based on already-exfoliated materials, we predicted 58 easily exfoliable bulk crystals and 90 potentially exfoliable bulk crystals for 2D materials. As evidence, a topology-based algorithm indicates that there is no interlayer bonding topology for 93% predicted exfoliable bulk crystals, and the analysis on packing ratios shows that 99% predicted exfoliable bulk crystals exhibit a relatively low packing ratio value. Moreover, literature survey shows that 34 predicted exfoliable bulk crystals have been experimentally exfoliated into 2D materials. In addition, the characteristics of these predicted 2D materials were discussed for practical use of such materials.

Interlayer Strength of 3D-Printed Mortar Reinforced by Postinstalled Reinforcement

This work was designed to evaluate the interlayer strength of 3D-printed mortar with postinstalled interlayer reinforcement. Two methods of postinstalled interlayer reinforcement were considered according to the amount of overlapping. The first method did not include overlapping of the interlayer reinforcement, while the second method included overlap lengths of 20 and 40 mm. Additionally, two different curing conditions were considered: air-curing conditions and water-curing conditions. The compressive, splitting tensile, and flexural tensile strengths of 3D-printed mortar specimens with different reinforcement methods and curing conditions were investigated under three loading directions. The three loading directions were defined based on the three planes of the printed specimens. The compressive, splitting tensile, and flexural tensile strengths were dependent on the loading directions. In particular, the splitting and flexural tensile strengths decreased considerably when tensile stresses acted on the interlayers of the 3D-printed mortar specimens. However, when longitudinal interlayer reinforcement penetrated the printed layers, the flexural tensile strength or interlayer bonding strength of the printed specimens increased significantly at the interlayers. In addition, mortar specimens reinforced with overlap lengths of 20 and 40 mm were investigated in this study. The flexural tensile strength or interlayer bonding strength of 3D-printed mortar decreased after treatment under air-curing conditions because the interlayers of the printed mortar formed more pores under these conditions and were more vulnerable under loading. Finally, the findings of this study suggested that interlayer reinforcement is a potential method for improving the interlayer bonding strength of 3D-printed mortar.

Temperature-compensated constitutive model of fused filament fabrication 3D printed PLA materials with full extrusion temperatures

Purpose This study aims to focus on the effect of interlayer bonding and thermal decomposition on the mechanical properties of fused filament fabrication-printed polylactic acid specimens at high extrusion temperatures. Design/methodology/approach A printing process, that is simultaneous manufacturing of contour and specimen, is used to improve the printing accuracy at high extrusion temperatures. The effects of the extrusion temperature on the mechanical properties of the interlayer and intra-layer are evaluated via tensile experiments. In addition, the microstructure evolution affected by the extrusion temperature is observed using scanning electron microscopy. Findings The results show that the extrusion temperature can effectively improve the interlayer bonding property; however, the mechanical properties of the specimen for extrusion temperatures higher than 270°C may worsen owing to the thermal decomposition of the polylactic acid (PLA) material. The optimum extrusion temperature of PLA material in the three-dimensional (3D) printing process is recommended to be 250–270°C. Originality/value A temperature-compensated constitutive model for 3D printed PLA material under different extrusion temperatures is proposed. The present work facilitates the prediction of the mechanical properties of specimens at an extrusion temperature for different printing temperatures and different layers.