RESEARCH CONTRACTS SIGNED: 800 000

“
P hysical P roperties
of M aterial s and M odelling
Structures, Propriétés et Modélisation des Solides (SPMS) UMR CNRS 8580
RESEA RCH A REAS
N a n o s t r u ct u r e d F u n ct i o n a l M at e r i a l s
for
Energy
This joint research team (École Centrale Paris, CEA) is interested in the behavior and
properties of ceramics in and out of thermodynamic equilibrium. Thus, it studies the
influence of preparation conditions on the properties of materials and the degradation of
these properties induced by aging in extreme environments. These studies have particular
importance for nuclear applications.
D i e l e ct r i c M at e r i a l s
for
E l e ct r o act i v e C o m p o n e n t s
Dielectric susceptibility, ferroelectricity and piezoelectricity are properties currently found within
electronic and microelectronic components. The objective of this research team is to prepare the
electronics of the future by developing new materials and models for predicting properties. These
models rely strongly on the study of linkages between structure and electrical properties.
F r o m M o d e l M at e r i a l s
to
M at e r i a l s
for
P h a r m ac e u t i ca l A p p l i cat i o n s
The scientific objective of this joint research project (Centrale Paris, Faculty of Pharmaceutical Sciences at Châtenay-Malabry) is twofold: to contribute to a better understanding of the interactions
between biological targets and active principles by x-ray diffraction and ab initio modelling; and,
secondly, to develop new methods for determining the electronic structure of materials. These may
have a general character and thus be applicable to all systems. However, they may also be adapted
to a particular system and therefore enable a better understanding of the properties or a better use
of information contained in the experimental data (combined simulation-diffraction study).
M at e r i a l s
for
H y d r o g e n Te c h n o l o g i e s
The goal of this research team is to find breakthrough materials that would enable a massive use of
hydrogen for energy production. This entails experimental and theoretical study of materials which
enable a lowering of the operating temperature of solid oxide fuel cells to around 650°C. The team
also works on the production of H2 by photolysis or H2 storage.
“
a pplications
Nuclear industry: ceramics for 4th generation reactors. Functional Ceramics: large-capacity multilayer
condensers, piezoelectric transducers, microsystems, electrostrictive actuators; Biomedical and
pharmaceutical industries, chemical and agro-food industries, analytical chemistry, gemmology, and
minerology; Ionic conductors, oxygen probes, fuel cells, proton conducting materials; Development
of nanotextured ceramics.
K EY FIGURES FOR 2010
”
Faculty Researchers and Researchers: 13
A dministrative and Technical Staff: 11
Doctoral Students: 14
R ank A Publications (Source: web of science): 37
Value of Research Contracts Signed: 800 000 €
(in addition to chairs)
CONTACT
www.spms.ecp.fr
Director: Jean-Michel KIAT
Tel: +33 (0)1 41 13 12 11
Fax: +33 (0)1 41 13 14 37
Email: [email protected]
École Centrale Paris, Research Centre Report 2011
SCIENTIFIC PA RTNERS
National: CEA-Saclay, Cadarache , École Polytechnique (X),
Faculty of Pharmacology (Châtenay), Universities of Orsay,
Paris VI, Dijon, Bordeaux, Amiens, Le Mans , Nancy, ENSG,
ILL, ESRF, LLB, Soleil, LETI, Thiais, Vitry, etc.
International: Universities of Tokyo Waseda, Spring8, Arkansas, Brookhaven, EPFL, Kraków, Marrakech, Belgrade,
Genoa, Lisbao, Ljubliana, Hanoï, Cranfield, Barcelona,
Xi’an.
Industria l Pa rtners
Thales and Thales Underwater Systems, Ferroperm,
Imasonic (Medical Ultrasounds), Ixsea (Sonar), ST micro,
Leti. Horiba-Jobin Yvon, Saint-Gobain, NanoE, etc.
SPMS R ese arch D epartment
SA MPLE PROJECT S
E VOLU TION OF SPECIFIC HEAT OF MgO BASED
ON THE TEMPER AT URE
The values obtained using the quantum thermostat are in agreement with experimental data, whereas the results of the DM standard are only variable above
the Debye temperature (940K).
H. Dammak, Y. Chalopin, M. Laroche, M. Hayoun, J.-J. Greffet "Quantum Thermal Bath for Molecular Dynamics Simulation", Phys. Rev. Lett. 103, 190601 (2009)
DEMONS TR ATION OF THE PATHS OF DIFFUSION BY MOLECULA R DY N A MICS
IN A NE W ELEC TRODE M ATERIAL (GdBaCo 2 O 5 . 5 ) FOR FUEL CELLS
J. Hermet, G. Geneste, G. Dezanneau "Molecular dynamics simulations of oxygen diffusion in GdBaCo2O5.5"
Appl. Phys. Lett. 97, 174102 (2010)
HOW TO ORIENT THE P ol a riz ation OF A FERRO -ELEC TRIC
SUPERLAT TICE BY VA RYING THE THICK NESSES
OF THE Cons tit uent s
N. A. Pertsev, P.-E. Janolin, J.-M. Kiat, and Y. Uesu "Enhancing permittivity of ferroelectric
superlattices via composition tuning", Physical Review B 81, 144118 (2010)
CONTROL OF THE M AGNE TIC ( Tn) A ND FERRO -ELEC TRIC ( Tc) PROPER TIES
OF A THIN MULTIFERROIC LAYER
I. C. Infante, S. Lisenkov, B. Dupé, M. Bibes, S. Fusil, E. Jacquet, G. Geneste, S. Petit, A. Courtial, J. Juraszek, L.
Bellaiche, A. Barthélémy, B. Dkhil, Phys. Rev. Lett. 105, 057601 (2010)
B. Dupé, I. Canero-Infante, G. Geneste, P.-E. Janolin, M. Bibes, A. Barthélémy, S. Lisenkov, L. Bellaiche, S. Ravy,
B. Dkhil, Phys. Rev. B 81, 144128 (2010)
H. Toupet, F. Le Marrec, C. Lichtensteiger, B. Dkhil, M. G. Karkut, Phys. Rev. B 81, R140101 (2010)
E x perimenta l Technique s
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High resolution X-ray scattering with fixed temperature, electric field, controlled atmosphere.
Electrical measures between 10 and 1473 K: 4 points, impedance, Van der Pauw, etc.
Raman Spectroscopy in situ (77-873 K).
Thermal and thermogravimetric analyses.
Development of powders and nanopowders, monocrystals, thin films, and shaping of ceramics.
Modelling: DFT, Monte Carlo, and molecular dynamic calculations.
École Centrale Paris, Research Centre Report 2011