We provide an extended Peierls–Nabarro (P–N) formulation with a sinusoidal series representation of generalized stacking fault energy (GSFE) to establish flow stress in a Ni2FeGa shape memory alloy. The resultant martensite structure in Ni2FeGa is L10 tetragonal. The atomistic simulations allowed determination of the GSFE landscapes for the (111) slip plane and 2 1⁄2 101 ; 2 1⁄2 110 ; 6 1⁄2 211...

A 2-d dislocation pile-up model is developed to solve problems with arrays of edge dislocations on one or multiple slip planes. The model developed in this work has four unique features: 1) As a continuum mechanics model, it captures the discrete behaviors of dislocations including the region near pile-up boundaries. 2) It allows for a general distribution of dislocations and applied boundary c...

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 ...

As characteristic length scales shrink (<100 nm) in fcc metals, alternative deformation mechanisms not seen in bulk and course-grained material counterparts emerge. In particular in grain sizes on the order of 10s of nanometers, plasticity is mediated by the motion and interaction of partial dislocations and extended stacking faults. Typically, partial dislocations nucleate at grain boundary de...

(2014) Tensile properties of Si nanowires with faulted stacking layers. Notice: Changes introduced as a result of publishing processes such as copy-editing and formatting may not be reflected in this document. For a definitive version of this work, please refer to the published source: Semiconductor nanowires (NWs) show tremendous applications in micro/nano-electro-mechanical systems. In order ...

Zirconium alloys were widely used as fuel cladding in nuclear reactors. Stacking fault pyramid (SFP) is an irradiation-induced defect zirconium. In this work, the formation process of SFP from a hexagonal vacancy plate on basal plane studied by molecular dynamics (MD) simulations. The results show that, during plate, d...

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanow...