Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy
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The aim of the thesis is to obtain more understanding about the influence of plastic deformation on the microstructural changes observed in single crystal (SX) Ni-based superalloys using diffraction techniques. This work was organised around two main probl ...
Despite decades of study, the atomic-scale mechanisms of fatigue crack growth remain elusive. Here we use the coupled atomistic–discrete dislocation method, a multiscale simulation method, to examine the influence of dislocation glide resistance on near-th ...
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 ...
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 ...
Ferritic steels are the main candidates for the structural components of future fusion reactors. Because of the complexity of their structure, most of the simulation works are focused on the base phase of these materials such as alpha-Fe or Fe-Cr alloy. In ...
This work investigates the dislocation nucleation processes that occur at the tip of a crack in aluminum under a broad range of crystallographic orientations and temperatures. A concurrent multiscale molecular dynamics - continuum simulation framework is e ...
Ferritic steels are the main candidates for the structural components of future fusion reactors. Because of the complexity of their structure, most of the simulation works are focused on the base phase of these materials such as alpha-Fe or Fe-Cr alloy. In ...
In this study, we report our observation of the interaction between a moving dislocation and an obstacle of dislocation character in pure bcc-Fe using a TEM in situ straining experiment at room temperature. Our observations reveal that the interaction of a ...
With recent developments in micro and nano-technologies, mechanical components such as those used in medicine or electronics tend to be miniaturized, requiring a new set of testing techniques to study their reliability and performance. One of the new metho ...
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 ...
