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Large scale 3D atomistic simulations are performed to study the interaction between a curved dislocation with a dominant screw character and a Coherent Twin Boundary (CTB). Three FCC metals (Al, Cu and Ni) are addressed using 6 embedded-atom method (EAM) p ...
PERGAMON-ELSEVIER SCIENCE LTD2019
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Metals are known to exhibit mechanical behaviour at the nanoscale different to bulk samples. This transition typically initiates at the micrometre scale, yet existing techniques to produce micrometre-sized samples often introduce artefacts that can influen ...
Nature Publishing Group2017
In this work, the evolution of the dislocations microstructure in single crystal two-phase superalloy microcrystals under monotonic loading has been studied using the three-dimensional discrete dislocation dynamics (DDD) method. The DDD framework has been ...
Elsevier2017
In this work, molecular statics and molecular dynamics simulations of a/2 < 110 > dislocation behavior for a model FCC Co30Fe16.67Ni36.67Ti16.67 alloy are discussed. It is shown that the single FCC phase is elastically stable in this alloy. Local stacking ...
Elsevier2017
Three newly identified cross-slip mechanisms from atomistic simulations of fcc crystals, namely surface, bulk and intersection cross-slip types, were hierarchically informed into discrete dislocation dynamics simulations. The influence of each cross-slip t ...
Elsevier2015
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 ...
Elsevier2015
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The high atomic-scale complexity inherent in the aptly named complex concentrated alloys, or high entropy alloys, presents unique challenges in understanding (1) the structure and motion of defects that control mechanical properties and (2) the thermodynam ...
SPRINGER HEIDELBERG2022
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Par infiltration sous pression de moules en chlorure de sodium monocristallin, on peut produire des fils d’aluminium pur monocristallin de diamètre aussi fin que 6 µm et longs d’un millimètre environ. La déformation de ces monocristaux a lieu, selon leur o ...
2016
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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 ...
