Dislocation-void interaction in Fe: a comparison between molecular dynamics and dislocation dynamics
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Molecular dynamics simulations were performed to study the deformation mechanisms of < 110 >-oriented, faceted Cu and Au nanowires under bending along three different crystallographic directions. Independent of the bending direction, the stress field is ch ...
Body-centered cubic metals are of high technological interest: for example tungsten as potential plasma facing component in future fusion reactors, molybdenum employed in aircraft parts, niobium as superconducting magnets, etc. The characteristics of their ...
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 ...
Using atomistic simulations, the effect of jogs on the cross-slip of screw character dislocations and screw-dipole annihilation was examined for both FCC Cu and Ni. The stress-free activation energy for cross-slip at jogs is close to 0.4 eV in Cu, determin ...
In this work, we present a stress functions approach to include image effects in continuum crystal plasticity arising from the long-range elastic interactions (LRI) between the GND density and free surfaces. The resulting length-scale dependent internal st ...
Many phenomena in crystalline metals such as friction, nano-indentation and ductile fracture are plasticity-driven and poorly understood. The physical complexity is further increased by the inherently multiscale nature of contact and fracture [1]. This stu ...
Atomistic simulations of the effects of H on edge dislocation mobility and pile-ups are performed to investigate possible nanoscale mechanisms for hydrogen-enhanced localized plasticity (HELP). alpha-Fe is used as a model system because H diffusion is fast ...
The application of discrete dislocation (DD) dynamics methods to study materials with realistic yield stresses and realistic cohesive strengths requires new algorithms. Here, limitations of the standard algorithms are discussed, and then new algorithms to ...
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 ...
Evidence of composition fluctuations around threading dislocations at scales ranging from atomic distances to tens of nanometers is provided by z-contrast imaging, strain measurement, and energy dispersive x-ray spectroscopy in AlxIn1-x N/GaN heterostructu ...