News
We will be attending the 11th International Conference on Multiscale Materials Modeling (MMM) that is being held in Prague, September 22-27, 2024. Houssam Kharouji, Joé Petrazoller, Vincent Taupin and Julien Guénolé will present studies spanning a wide range approaches and aspects in materials modeling.
Could dislocation density fields be an appropriate medium for the decription of crystal defects in both atomistic and continuum simulations? Our new paper demonstrate that even large-angle grain boundaries can be represented with this metric: Kharouji et al., Atomistic to continuum mechanics description of crystal defects with dislocation density fields: Application to dislocations and grain boundaries, International Journal of Plasticity 177 (2024) 103990 [open access].
Choosing an appropriate semi-empirical potential is a fundamental aspect of any atomistic simulation. Here, we assess the capabilities of semi-empirical potentials (EAM and MEAM type) to model defects in magnesium and its alloys during atomistic simulations. The manuscript is now available: Wang et al. Defects in magnesium and its alloys by atomistic simulation: Assessment of semi-empirical potentials, Computational Materials Science 240 (2024) 113025 [open access].
After months of work, the new website of the LEM3 lab is out: https://lem3.univ-lorraine.fr/. It is still in french only, the paint is fresh, some bugs should be sticking around and more pages are to come. It give however a nice overview of the extend of the research done at the laboratory. To contextualize, the Group for Atomistic Mechanics led by Dr. J. Guénolé is par of the MAPLI research axis within the Department 2.
I am glad to welcome Fatim-Zahra MOUHIB in my group as Postdoctoral researcher. She will work on the Segregation at Interfaces in Lightweight Alloys towards Tailored Mechanical Properties, within the framework of the ANR-DFG SILA in collaboration with RWTH Aachen in Germany.