Structural Aspects of the Superionic Transition in AX2 Compounds With the Fluorite Structure

Autor: Paul C. M. Fossati, Alain Chartier, Alexandre Boulle

Publikováno v: Frontiers in Chemistry, Vol 9 (2021)

Some AX2 binary compounds with the fluorite structure (space group Fm3̄m) are well-known examples of materials exhibiting transitions to ionic superconducting phases at high temperatures below their melting points. Such superionic states have been d

Externí odkaz: https://doaj.org/article/91832209444547dfafdbc43cfdd24359

A DFT study of defects in paramagnetic Cr2O3

Autor: Xian Huang, Paul C. M. Fossati, Laure Martinelli, Sophie Bosonnet, Laurence Latu-Romain, Yves Wouters

Publikováno v: Physical Chemistry Chemical Physics. 24:10488-10498

The nature of the dominant point defect and semiconductor character in paramagnetic Cr2O3 depends on temperature and oxygen partial pressure.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d781ab5130ba3b59b7c2c5b05a4e2be9
https://doi.org/10.1039/d1cp05756a

Stress Corrosion Cracking in Amorphous Phase Separated Oxide Glasses: A Holistic Review of Their Structures, Physical, Mechanical and Fracture Properties

Autor: F. Celarie, Stéphane Gossé, Patrick Houizot, Daniel Bonamy, Cindy L. Rountree, Weiying Feng, Paul C. M. Fossati

Publikováno v: Corrosion and Materials Degradation
Corrosion and Materials Degradation, MDPI, 2021, 2 (3), pp.412. ⟨10.3390/cmd2030022⟩
Corrosion and Materials Degradation, 2021, 2 (3), pp.412. ⟨10.3390/cmd2030022⟩
Corrosion and Materials Degradation, Vol 2, Iss 22, Pp 412-446 (2021)

International audience; Stress corrosion cracking is a well-known phenomenon in oxide glasses. However, how amorphous phase separation (APS) alters stress corrosion cracking, and the overall mechanical response of an oxide glass is less known in lite

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69de6426068692d5390c2bc49e3aaef5
https://hal.archives-ouvertes.fr/hal-03286909

Theoretical Modeling of Defects, Dopants, and Diffusion in the Mineral Ilmenite

Autor: Alexander Chroneos, Paul C. M. Fossati, Ratnasothy Srikaran, Navaratnarajah Kuganathan

Publikováno v: Minerals, Vol 9, Iss 10, p 610 (2019)
Minerals
Volume 9
Issue 10

The iron titanium oxide ilmenite (FeTiO3) is a technologically and economically important mineral in the industrial preparation of titanium-based pigments and spintronic devices. In this study, atomistic simulation techniques based on classical pair

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37f0f98b9ffbee97c7b8c600fc096e93
https://www.mdpi.com/2075-163X/9/10/610

Empirical potential simulations of interstitial dislocation loops in uranium dioxide

Autor: Philippe Maugis, Arno Le Prioux, Thomas Jourdan, Paul C. M. Fossati, Serge Maillard

Publikováno v: Journal of Nuclear Materials
Journal of Nuclear Materials, 2016, 479, pp.576-584. ⟨10.1016/j.jnucmat.2016.07.046⟩
Journal of Nuclear Materials, Elsevier, 2016, 479, pp.576-584. ⟨10.1016/j.jnucmat.2016.07.046⟩

International audience; Stoichiometric circular shaped interstitial dislocation loop energies are calculated in stoichiometric UO2 by empirical potential simulation. The Burgers vector directions studied are < 110 > and < 111 >. The main structural p

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2f93bb54e9a54c51050bb295a266f58
https://doi.org/10.1016/j.jnucmat.2016.07.046