ASSOCIATED MAJORS:

1. NATURAL SCIENCES

• Metallurgy

 PROJECT TITLE:

Atomistic Simulations for nano-structured High Strength Steels computer aided design

PROJECT SUMMARY. Description of activities and objectives:

Nano-structrured bainitic steels are especially suited to fulfil some of the most extreme conditions, which makes them the perfect materials for key components in the automotive industry. In spite of the extensive knowledge about these steels, there are still some unknowns concerning the phase transformations which allows obtaining their exceptional performance. Some of the last experimental findings have revealed the possible existence of unexpected and novel crystal structures when processed at low temperatures, aiming at reducing environmental and production costs, for the following generation of nano-structured bainitic steels. Nevertheless, the complete description at the atomic scale is not possible even with the use advanced characterization techniques.
During the project, the student will make use of the Molecular Dynamics software
LAMMPS in a large supercomputer (20TFlops power) to perform MonteCarlo and
Temperature Accelerated Dynamics parallel simulations in order to describe the expected
novel phases at low temperature and compare with the current experimental results
The student will participate in metallographic sample preparation and will have access to
advanced characterization techniques (TEM, SEM, X-Ray).Dissemination of the results in
high impact scientific journal is expected due to the large scientific and industrial
relevance of this research.

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