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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 ...
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 ...
This work is focused on the evolution of the microstructure of Inconel 718 during multi-pass forging processes. During the forming process, the material is subjected to several physical phenomena such as work-hardening, recovery, recrystallization and grai ...
Microstructural evolution of a cold-rolled Al-Mn-Fe-Si alloy during annealing was studied. Except the as-cast variant, two other different homogenizations were considered, one gave a high density of fine dispersiods providing a considerable Zener drag infl ...
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 ...
Dislocations and grain boundaries are intrinsic topological defects of large-scale polycrystalline samples of graphene. These structural irregularities have been shown to strongly affect electronic transport in this material. Here, we report a systematic i ...
The local physical properties of polycrystalline semiconducting films drive their performances in a wide variety of optoelectronic devices but are still not completely elucidated. These properties are investigated and correlated on the same region of polyc ...
Negative strain-rate sensitivity due to dynamic strain aging in Aluminium-5XXX alloys leads to reduced ductility and plastic instabilities at room temperature, inhibiting application of these alloys in many forming processes. Here a hierarchical multiscale ...
Thanks to their unique morphology, nanowires have enabled integration of materials in a way that was not possible before with thin film technology. In turn, this opens new avenues for applications in the areas of energy harvesting, electronics, and optoele ...
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 ...