ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Studying Fatigue Crack Initiation with a new Multiscale Model

Discrete dislocation models are capable to describe metal blocks of 2mm side length. However, interactions of dislocations with the evolving fatigue crack are crudely approximated. Molecular dynamics models are capable to accurately describe the interaction of dislocations with each other and with a fatigue crack during nucleation. However, the simulated domains are very restricted (<100nm).


Dislocation nucleating deep inside the discrete dislocation domain and moving past the interface into the molecular dynamics domain.

In this project, we aim at merging these models of different spacial and temporal scales in a domain separating approach. Thereby, we utilize the advantages of each model and cancel out their individual short-comings.

We will develop a novel non-associated approach, which will intrinsically filter out atom undulations of the molecular dynamics domain that would lead to a cumbersome discrete dislocation description.

Project Files:

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Dislocation nucleating at the nanosized crack tip in the molecular dynamics domain and moving to the interface with the discrete dislocation domain.
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Dislocation nucleating deep inside the discrete dislocation domain and moving past the interface into the molecular dynamics domain.

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