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porosity of oxide glasses (No replies)
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Numerical investigation of nanoporosity in oxide glasses: implications for polyamorphic transitions
A postdoctoral position is open to work on molecular dynamics simulations of oxide glasses and their potential for gas incorporation at IMPMC, Sorbonne Université (with Guillaume Ferlat) in Paris.
A particular focus will be given on assessing the porosity and the mechanical properties of oxide glasses (SiO2, B2O3) filled with rare-gases (such as He or Ne), in collaboration with an experimental team in Montpellier (group of Benoît Rufflé, LCC).
Location: IMPMC (Sorbonne Université, Campus Jussieu) is an internationally recognized multidisciplinary laboratory in the center of Paris, in the heart of the “Quartier Latin”, the lively and cultural university district.
Position details: The position is funded through the ANR PIPOG (Pressure-Induced Polyamorphism in Oxide Glasses) for up to 18 months and it includes resources to support participation to conferences. It is expected to start from the 15th of September 2019 and no later than the 1st of January 2020.
The net salary starts from about 2100 € depending on the candidate’s experience.
Candidates: Applicants should have a doctoral degree in physics or chemistry. Previous experience in at least one of the following area is requested: ab-initio and/or empirical molecular dynamics (MD) simulations, calculations of mechanical properties, simulations of disorded systems.
Contact: Interested applicants should send a detailed CV and a cover letter expressing their motivation to: [email protected]
Related references from the group on this topic:
[1] G. Ferlat et al., Nature Materials 11, 925 (2012), Physical Review Materials 3, 063603 (2019).
[2] C. Weigel et al., Phys. Rev. Lett. 109, 245504 (2012), Phys. Rev. B 93, 224303 (2016), arXiv:1901.02235 (2019).
Description of the project: When pressurized, some glasses (such as SiO2 or B2O3) exhibit abrupt changes between rather different structures, a phenomenon known as polyamorphism. Although one of the most topical subject in glass science, it remains largely unexplained. Recently, it has been discovered that silica (SiO2) glass can incorporate significant amounts of rare-gas atoms (such as He) when pressurized above a certain threshold. This reveals that the glassy network is much more porous than previously thought. As a result of the gas incorporation, the structural and mechanical properties of the glass are profoundly affected, suppressing some of the anomalous behaviors and impacting the polyamorphic transitions usually observed (in the unfilled glass). However, the microscopic details of the gas incorporation remain unknown.
The present numerical project proposes to use advanced modelling techniques (ab initio and classical molecular dynamics) to achieve an accurate description of the microscopic mechanism of pressure-induced polyamorphism in a set of representative oxide glasses (SiO2, GeO2, and B2O3). Such simple oxide glasses form an excellent playground to study polyamorphism as both intrinsic free volume and network topology effects can be addressed. An important novelty of the approach will be to compare glasses filled by various gases (H, He, …) with unfilled samples. This allows separating density from stress effects. The aim of these simulations is to complement and assist the interpretation of experiments (carried out in close connection by colleagues at LCC, Montpellier and IMPMC, Paris) and in fine to provide fundamental insights regarding the microscopic mechanism involved in polyamorphism.