Fatigue crack growth characteristics of Fe and Ni under cyclic loading using a quasi-continuum method.

A quasi-continuum (QC) method based on the embedded atom method (EAM) potential was employed to investigate the fatigue crack growth and expansion characteristics of single-crystal Fe and Ni under cyclic loading modes I and II. In particular, the crack growth and expansion characteristics of Fe and Ni under cyclic loading were evaluated in terms of atomic stress fields and force-distance curves. The simulation results indicated that under cyclic loading, the initially damaged area of the crack will coalesce again after compression or shear to the initial geometry leading to a strengthening of the material. If no coalescence appears, the crack spreads rapidly and the material breaks. Moreover, under the cyclic loading of shear at any orientation, the slip dislocation observed in the materials considerably affects the release of stress.

Mechanism and effect of γ-butyrolactone solvent vapor post-annealing on the performance of a mesoporous perovskite solar cell.

In this paper, γ-butyrolactone (GBL) solvent vapor post-annealing (SVPA) on CH3NH3PbI3 thin films is reported, aiming to improve the complete transformation of PbI2 and increase the grain size of the CH3NH3PbI3 crystal, thus boosting the performance of mesoporous CH3NH3PbI3 perovskite solar cells (PSCs). The influence of GBL SVPA on the microstructure of perovskite layers and performance of PSCs was studied. The short circuit current density (J sc) of the devices significantly increased, yielding a high efficiency of 16.58%, which was 27.05% higher than that of thermally annealed films. A model was derived to explain the effect of GBL SVPA on PSCs. The perovskite films prepared by this method present several advantages such as complete transformation of PbI2 to CH3NH3PbI3, high crystallinity, large grain size, and fewer grain boundaries than those prepared without GBL SVPA. This improvement is beneficial for charge dissociation and transport in hybrid photovoltaic devices.

Molecular dynamics simulations of nanoindentation and scratch in Cu grain boundaries.

The dynamic nanomechanical characteristics of Cu films with different grain boundaries under nanoindentation and scratch conditions were studied by molecular dynamics (MD) simulations. The type of grain boundary is the main factor in the control of the substrate atoms with respect to the size of dislocations since the existence of the grain boundary itself restricts the movement associated with dislocations. In this work, we analyzed the transverse and vertical grain boundaries for different angles. From the simulation results, it was found that the sample with a transverse grain boundary angle of 20° had a higher barrier effect on the slip band as compared to samples with other angles. Moreover, the nanoindentation results (i.e., indentation on the upper area) of the vertical grain boundary showed that the force was translated along the grain boundary, thereby producing intergranular fractures.