Discrete dislocation dynamics simulations of dislocation interactions with Y2O3 particles in PM2000 single crystals
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Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2(111) dislocations in a randomly-distributed model-BCC Co16.67Fe36.67Ni16.67Ti30 alloy. Core structure variations along an individual dislocation li ...
Nanocrystalline (NC) metals have attracted widespread interest in materials science due to their high strength compared to coarse-grained counterparts. It is well know that during uniaxial deformation, the stress-strain behaviour exhibits an extraordinary ...
We study the mobility law of dislocations in aluminum as an important building block for the development of a multiscale method that couples an atomistic model with discrete dislocation dynamics in 3d (\eg CADD3d). Straight dislocations of arbitrary charac ...
Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant compl ...
Metal fatigue during cyclic loading puts an endurance limit on most of today's technology. It impacts the reliability of metallic components used for transportation, electronic devices and energy production because fatigue failure can occur without any app ...
The performance of crystalline materials varies depending on the considered scale. To understand the size dependence of materials properties, the interaction and evolution of defects are essential. As such, the role played by dislocations is crucial for mo ...
Molecular dynamics simulation is used to study the formation of the a(0) < 1 0 0 > binary dislocation junction in body-centered cubic Fe. Results show that under an applied strain two intersecting 1/2 a(0) < 1 1 1 > dislocations, one mobile edge and one im ...
The two-dimensional discrete dislocation dynamics (2D DD) method, consisting of parallel straight edge dislocations gliding on independent slip systems in a plane strain model of a crystal, is often used to study complicated boundary value problems in crys ...
Molecular dynamics simulations of dislocation/obstacle interactions are enhancing our physical understanding of plasticity. However, despite increasing computational power, the interaction between simulation cell boundaries and the long ranged fields of di ...
Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing ...