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M/W Modeling surface state and mechanics of nano-objects

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Français - Anglais

Date Limite Candidature : lundi 15 mars 2021

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General information

Reference : UMR5510-JONAMO-001
Workplace : VILLEURBANNE
Date of publication : Monday, February 22, 2021
Scientific Responsible name : Jonathan Amodeo
Type of Contract : PhD Student contract / Thesis offer
Contract Period : 36 months
Start date of the thesis : 1 April 2021
Proportion of work : Full time
Remuneration : 2 135,00 € gross monthly

Description of the thesis topic

Nano-objects (nanowires, nanoparticles) are widely used in various fields of applications such as micro-electronics, biomedical imaging and engineering as well as catalysis. Inter alia, they benefit of exceptional mechanical properties, significantly larger than their bulk counterparts. This specificity is due to the fact that nano-objects are usually defect-free what enhances a nucleation-controlled plasticity process from the surfaces (instead of the classical dislocation multiplication regime of bulk materials) that stands at extremely high stress.
Few is known about the influence of the surface state on the mechanical properties of nano-objects. While it is known that surface defects play a key-role on dislocation nucleation due to stress concentration, there is no quantitative or relevant study on the topic. Therefore, a detailed description of nano-objects surface states (roughness, oxidation, local amorphization) would significantly improve our understanding of nano-objects physical and mechanical properties.
The goal of the PhD is first to develop a Python tool to fabricate virtual nano-objects sample with realistic surfaces to be further used as input for molecular and finite-element method simulations. This method will be particularly applied to nanoparticles and nanowires. Then, parametric studies will be carried out using atomistic and finite-element method simulations to quantify the influence of the surface state on the mechanical response of metal, ceramic and semi-conductor nano-objects. Aside Bragg diffraction (BCDI) as well transmission electron microscopy experiments will supplement the modeling approach developed in the PhD.
Details: The PhD will be performed at IM2NP (MNO group), Aix-Marseille université in collaboration with the MATEIS laboratory (INSA-Lyon). The PhD applicant should hold a master degree in physics, materials or computational materials sciences. Skills in Python coding and Linux environment are desirable as well as a strong interest for nanomaterials. This PhD takes place in the framework of the ANR JCJC SASHA project. Application: CV + letter of motivation + L3/M1/M2 quotes/ranking to be sent to jonathan.amodeo@insa-lyon.fr
Funding : CNRS (ANR JCJC SASHA)
Keywords : modeling, nano-objects, mechanics, roughness

Work Context

Created in 2008, the Institut Matériaux Microélectronique Nanoscience de Provence (IM2NP), is a large and multidisciplinary research laboratory of about 300 people working at the boundary between physics, chemistry and micro-electronics. The IM2NP lab benefits of widespread skills that allow to crosslink fundamentals aspects to applications in the fields of advanced materials, electronics and nanosciences. IM2NP is well established; from the local to the international level as shown by its unique identity, special skills and strong scientific knowhow.
MATEIS is a Materials Science laboratory at the crossroad between various scientific fields such as chemistry, physics and mechanics. The lab investigate the 3 material classes (metals, ceramics and polymers) as well as their composites including volumic characteristics, surfaces and interfaces. MATEIS focuses on describing links between fabrication and microstructure, from the experimental and modeling points of view. MATEIS is known in the fields of advanced fabrication, microstructural characterization (often in situ or 3D), multi-scale modeling as well as on-use properties. Multifonctional materials for health, but also for energy, transport or build applications are parts of MATEIS DNA.

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