Molecular Dynamics Study Of Process Parameters On Adhesives Performances

Universities and Institutes of France


July 5, 2022


  • Organisation/Company: CNRS
  • Research Field: Chemistry › Computational chemistry Chemistry › Physical chemistry
  • Researcher Profile: First Stage Researcher (R1)
  • Application Deadline: 05/07/2022 23:59 - Europe/Brussels
  • Location: France › ORSAY
  • Type Of Contract: Temporary
  • Job Status: Full-time
  • Hours Per Week: 35
  • Offer Starting Date: 03/10/2022
  • - The objective of this work is to study the influence of cure cycles on the (thermo-) mechanical properties of epoxy-based resins by molecular simulation. - The challenges of this subject are the identification of key process parameters on chemical kinetics, and the generation of input data for the multi-scale models developed at Safran.

    This work makes part of a collaboration between the Institute of Physical Chemistry (91400 Orsay, France) and Safran Composites (91760 Itteville, France). Your mission will be a research study based on molecular modeling applied to adhesives.

    New processes for using high-performance composite materials are being developed at Safran Composites, in order to reduce the manufacturing stages of aircraft structures and therefore the associated energy costs. The optimization of these new processes remains complex because the final properties of a composite part depend on a number of parameters including those related to the process (temperature cycle, pressure level, choice of materials, etc.).

    The formulation of high-performance resins is generally composed of a multitude of reactive monomers, so the thermal path used during the process can modify the final structural network by favoring certain chemical kinetics over others. As a result, the mechanical properties of the part can potentially differ depending on the process conditions.

    Place: Institute of Physical Chemistry (Orsay 91400) and Safran Composites (Itteville 91760) Type of contract: fixed-term contract at CNRS / Full time Contract duration: 12 months Expected starting date: September 5, 2022 Salary: 2700€ to 3900€ gross, according to experience Experience: between 0-7 years

    Eligibility criteria

    You have a PhD in computational chemistry or physics with good experience in molecular modeling (Molecular Dynamics and Monte Carlo simulation). You have a good knowledge of at least one molecular modeling software (LAMMPS, NAMD, GROMACS, Schrödinger©, Medea©, Biovia©) as well as on a programming language. Experience in the field of polymer materials and the process techniques of composite materials is also highly appreciated. Complementary skills needed: synthetic and analytic thinking (summarize and reporting).

    Web site for additional job details

    https: //

    Required Research Experiences
  • Chemistry › Physical chemistry

  • None

  • Chemistry › Computational chemistry

  • None

    Offer Requirements
  • Chemistry: PhD or equivalent

  • FRENCH: Basic

    Contact Information
  • Organisation/Company: CNRS
  • Department: Institut de Chimie Physique
  • Organisation Type: Public Research Institution
  • Website: https: // www.
  • Country: France
  • City: ORSAY
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