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Lahuari BENABOU del laboratorio LISV (www.lisv.uvsq.fr) propone el tema que te adjunto ‘Molecular dynamic Simulation of cracking and/or heat transfer’.
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Molecular Dynamic Simulation of cracking and/or heat transfer

L. Benabou
Associate Professor
Laboratory LISV (www.lisv.uvsq.fr)
Laboratoire d’Ingénierie des Systèmes de Versailles – Université de Vers…NGOC TUYET TOUCHAIS

University of Versailles Saint-Quentin-en-Yvelines
78140 Vélizy, France
email : lahouari.benabou@uvsq.fr

Keywords: Computational mechanics, Molecular dynamics, Fracture, Thermal transport

Molecular dynamics (MD) simulations can give valuable insight into many physical processes that are difficult to characterize at macro-scale. This is the case of fracture in the materials which can be described at the atomistic scale but whose impact on the overall behavior and reliability is considerable. It is also the case of heat transfer in small-sized structures where the presence of small defects or interfaces can modify the effective thermal properties. It is proposed in this work to use molecular dynamics simulations with LAMMPS software to model a problem of fracture or heat transfer and to analyze the obtained results by doing a comparison with well-established analytical solutions.

Molecular Dynamic Simulation of cracking and/or heat transfer

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