Guy Tréglia
Material Modelling
Theoretical Solid State Physics
Computational Material Science
Electronic structure and thermodynamical properties
Alloys, surfaces and interfaces, defects
Materials for Nuclear Energy
Expertise and principal research interests
Previous research topics
- Electronic correlations (Hubbard model) : one and two particle excitation spctrum (photoemission, Auger).
- Theory close to synchrotron radiation : Surface Core Level Spetcroscopy and SEXAFS.
- Electronic Structure: Tight-Binding developments : continued fraction with band gaps, TBIM.
- Alloys : ordering processes from electronic structure.
- Surface physics : Reconstruction and phase transitions. Surface alloys and alloy surfaces. Surface segregation, kinetics and equilibrium properties.
- Clusters : Reconstruction and phase transitions.
- Epitaxial growth : diffusion (surface, interdiffusion), superstructures, interdiffusion, semiconductors. SiGe strain diffusion, silicides, disloctaions
Current reserach topics
- Material for Nuclear Energy : impact of rare gaz bubbles on the thermomecanial behaviour of UO2 fuel, fragilization of Zr by hyrdruration, ageing of FeNi steels in vessels, .
- Quantification and propagation of uncertainties in Multi-scale methods : Baysian approach
- High Entropy Alloys : Defects
Methods
- Electronic structure calculations in condensed matter: Tight-Binding Methods (continued fractions, recursion) and Density Functional Theory
- Vibrational properties : thermal conductivity
- Semi-empirical interatomic potentials: Second Moment Approximation, Tight-Binding Ising Model.
- Classical molecular dynamics and Monte Carlo methods.
- Computational and numerical methods in general.
Degrees
- PhD in Solid State Phyics from University Paris 11 Orsay(now Aix-Marseille Université). 17 June 1983.
- PhD in Solid State Phyics from University of Strasbourg. 8 Janvier 1979.
- DEA Physics and Chemistry of Materials from University of Nancy. 1976.
- Civil Mining Engineer from Mining School Nancy (ENSMIN) 1976.
Appointments
- Senior Research Associate (Directeur de Recherche 1, CRMCN/CINaM-CNRS). October 2005 to present.
- Senior Research Associate (Directeur de Recherche 2, CRMC2-CNRS). October 1992 to September 2005.
- Research Associate (Chargé de Recherche, LPS (Orsay)-CNRS). October 1981 to September 1992.
- Research Fellow ONERA Chatillon. October 1996 to September 1981.
Administrative Positions
- Head of GDR CNRS 3532 ModMat (Materials Modeling)) January 2012 to December 2020.
- President of the CINaM Scientific Comitee 2012-2017.
- Member of the Editorial Advisory Board of the Journal Surface Science (Elsevier)(
- Elected at SFP Condensed Matter Editorial Board of Journal Reflets de la Physique, 2005-2008.
- Member of Direction Comitee of CRMC2, CRMCN: Fusion Comitee of CRMC2-GPEC, axis co-responsable 2000-2004.
- Head of Research Master : Material Science and Nanoscience Aix-Marseille Universities, 1999-2008.
- Elected at CNRS National Comitee (Section 05) Member of the Board, 2000-2004.
- Creation of the Modelling Group at CRMC2 Head of the group , 1992-2004.
More
- Full list of publications according to Google Scholar can be found in the List of Publication
2020
Tight-binding modeling of interstitial ordering processes in metals: Application to zirconium hydrides
Paul Eyméoud, Fabienne Ribeiro, Azzam Charaf-Eddin, Rémy Besson, Guy Treglia
Physical Review B 101 (2020)10.1103/PhysRevB.101.224106
Tight-binding Ising modeling of the interplay between bulk ordering and surface segregation in Pt-Ag nanoalloys
Abir Hizi, Alexis Front, Moncef Said, Fabienne Berthier, G. Tréglia, Christine Mottet
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces 700:121626 (2020)10.1016/j.susc.2020.121626
2018
Theoretical study of xenon adsorption on UO 2 surfaces
Jack Arayro, Guy Treglia, Fabienne Ribeiro
Journal of Physics Communications 2:035041 (2018)10.1088/2399-6528/aab517
Bidimensional phases in Co–Pt surface alloys: A theoretical study of ordering and surface segregation
Alexis Front, Bernard Legrand, G. Tréglia, Christine Mottet
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces 679:128-138 (2018)10.1016/j.susc.2018.08.024
2017
Tight-binding modelling of ferromagnetic metals and alloys
M Sansa, A Dhouib, F. Ribeiro, B. Legrand, G. Tréglia, C. Goyhenex
Modelling and Simulation in Materials Science and Engineering 25 (2017)10.1088/1361-651X/aa8fa8
2016
Atomistic modelling of residual stress at UO2 surfaces
Jack Arayro, Guy Treglia, Fabienne Ribeiro
Journal of Physics: Condensed Matter 28:015006 (2016)10.1088/0953-8984/28/1/015006
Environment dependence of magnetic moment and atomic level shifts within tight-binding approximation: An illustration in the case of cobalt
C. Goyhenex, G. Tréglia, Bernard Legrand
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces 646:261-268 (2016)10.1016/j.susc.2015.09.004
Stress influence on substitutional impurity segregation on dislocation loops in IV-IV semiconductors
A. Portavoce, J. Perrin Toinin, K. Hoummada, L. Raymond, G. Treglia
Computational Materials Science 114:23-32 (2016)10.1016/j.commatsci.2015.12.016
Effect of magnetism on surface segregation in FeNi alloys
Myriam Sansa, Fabienne Ribeiro, Adnene Dhouib, Guy Treglia
Journal of Physics: Condensed Matter 28:064003 (2016)10.1088/0953-8984/28/6/064003
2015
How to derive tight-binding spd potentials? Application to zirconium
A. Dufresne, F. Ribeiro, G. Tréglia
Journal of Physics: Condensed Matter 27:336301 (2015)10.1088/0953-8984/27/33/336301
Tight-Bindingn-momentpotential for zirconium hydride atomistic modeling
A Dufresne, G. Tréglia, F Ribeiro
Metallurgical Research & Technology 112 (2015)10.1051/metal/2014046
Atomistic Model for Ge Condensation under SiGe Oxidation
P. Ganster, A. Saul, G. Tréglia
Ordering and surface segregation in Co$_{1−c}$Pt$_c$ nanoparticles: A theoretical study from surface alloys to nanoalloys
A. Lopes, G. Tréglia, C. Mottet, B. Legrand
Physical Review B 91:035407 (2015)10.1103/PhysRevB.91.035407
Ordering and surface segregation in Co1−cPtc nanoparticles: A theoretical study from surface alloys to nanoalloys
A. Lopes, G. Tréglia, C. Mottet, B. Legrand
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 91:035407 (2015)
Electronic structure of CoPt based systems: from bulk to nanoalloys
L Zosiak, C Goyhenex, R Kozubski, G. Tréglia
Journal of Physics: Condensed Matter 27 (2015)10.1088/0953-8984/27/45/455503
2014
Atomistic study of porosity impact on phonon driven thermal conductivity: Application to uranium dioxide
M. Colbert, F. Ribeiro, G. Treglia
Journal of Applied Physics 115:034902 (2014)10.1063/1.4861418
Theoretical study of xenon adsorption in UO2nanoporous matrices
Mehdi Colbert, Guy Treglia, Fabienne Ribeiro
Journal of Physics: Condensed Matter 26 (2014)10.1088/0953-8984/26/48/485015
Theoretical investigation of Cottrell atmosphere in silicon
A. Portavoce, G. Treglia
Acta Materialia 65:1-9 (2014)10.1016/j.actamat.2013.11.053
2013
Surface segregation trends in transition metal alloys
J.H. Los, C. Mottet, G. Tréglia
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 88:165408 (2013)
Disentangling coordination and alloy effects in transition metal nanoalloys from their electronic structure
L Zosiak, C. Goyhenex, R Kozubski, G. Treglia
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 88:014205 (2013)
2012
Structure and properties of nanoscale materials: theory and atomistic computer simulation
C. Bichara, P. Marsal, C. Mottet, R. Pellenq, F. Ribeiro, A. Saul, G. Tréglia, H.C. Weissker
International Journal of Nanotechnology 9:576-604 (2012)10.1504/IJNT.2012.045335
Nanometric-size effect upon diffusion and reaction in semiconductors: experimental and theoretical investigations
A. Portavoce, Christophe Girardeaux, G. Tréglia, J. Bernardini, Dominique Mangelinck, L. Chow
Theoretical investigation of the influence of reaction and diffusion kinetics upon thin-film reactive diffusion
A. Portavoce, G. Treglia
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 85:224101 (2012)
Theoretical investigation of the influence of reaction and diffusion kinetics upon thin-film reactive diffusion
A. Portavoce, G. Treglia
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 85 (2012)10.1103/PhysRevB.85.224101
Nanometric-Size Effect upon Diffusion and Reaction in Semiconductors: Experimental and Theoretical Investigations
Alain Portavoce, Christophe Girardeaux, Guy Treglia, Jean Bernardini, Dominique Mangelinck, Lee Chow
Nanometric-Size Effect upon Diffusion and Reaction in Semiconductors: Experimental and Theoretical Investigations
Alain Portavoce, Christophe Girardeaux, Guy Treglia, Jean Bernardini, Dominique Mangelinck, Lee Chow
Defect and Diffusion Forum 323-325:433-438 (2012)10.4028/www.scientific.net/DDF.323-325.433
2011
An atomistic modelling of the porosity impact on UO(2) matrix macroscopic properties
A. Jelea, M. Colbert, F. Ribeiro, G. Tréglia, R.J.M. Pellenq
Journal of Nuclear Materials 415:210-216 (2011)10.1016/j.jnucmat.2011.06.006
Theoretical and experimental evidences of sequential phase formation during subnanometric-thick film reactive diffusion
A. Portavoce, G. Tréglia, B. Lalmi, Christophe Girardeaux, Dominique Mangelinck, B. Aufray, J. Bernardini
Theoretical and Experimental Evidences of Sequential Phase Formation during Sub-Nanometric-Thick Film Reactive Diffusion
Alain Portavoce, Guy Treglia, Boubekeur Lalmi, Christophe Girardeaux, Dominique Mangelinck, Bernard Aufray, Jean Bernardini
Theoretical and Experimental Evidences of Sequential Phase Formation during Sub-Nanometric-Thick Film Reactive Diffusion
Alain Portavoce, Guy Treglia, Boubekeur Lalmi, Christophe Girardeaux, Dominique Mangelinck, Bernard Aufray, Jean Bernardini
Solid State Phenomena 172-174:633-639 (2011)10.4028/www.scientific.net/SSP.172-174.633