In Ni-base superalloys, superlattice extrinsic stacking fault (SESF) shearing of c0 precipitates involves coupled dislocation glide and atomic diffusion. A phase-field model is developed to study this process, in which the free energy of the system is formulated as a function of both displacement and long-range order parameter. The free energy surface is fitted to various fault energy data obta...

We propose a new model for {001} platelets in diamond based on the formation of a metastable stacking-fault. The core of the defect is a double layer of threefold coordinated sp2 carbon atoms embedded in the sp3 diamond matrix. The properties of the model were determined using ab initio calculations. All significant experimental signatures attributed to the platelets are fully accounted for. Th...

We develop a geometry-based model from first-principles data for the interaction of solutes with a prismatic screw dislocation core, and predict the thermally activated cross-slip stress above room temperature in Mg alloys. Electronic structure methods provide data for the change in prismatic stacking fault energy for different possible fault configurations for 29 different solutes. The direct ...

In the recent years, deep learning has been widely used in process monitoring due to its strong ability extract features. However, with increasing layers of network, compression features by model will lead loss some valuable information and affect model’s performance. To solve this problem, a fault detection method based on discriminant enhanced stacked auto-encoder is proposed. An network stru...

Negative stacking fault energies (SFEs) are found in face-centered cubic high-entropy alloys with excellent mechanical properties, especially at low temperatures. Their roles remain elusive due to the lack of situ observation nanoscale deformation. Here, polymorphism Shockley partials is fully explored, assisted by a new method. We show negative SFEs result novel partial pairs as if they were h...

A long-standing controversy exists between molecular dynamics simulations and experiments on the twinning propensity of nanocrystalline (NC) face-centered-cubic metals. For example, three-dimensional molecular dynamics simulations rarely observed twins in NC Ni, whereas experiments readily observed them. Here this discrepancy is resolved by experimental observation of an inverse grain-size effe...