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Comparison of bonding and charge density in δ−UO$_3$, γ−UO$_3$, and La$_6$UO$_{12}$

L. Casillas-Trujillo , G. Baldinozzi , M K Patel , H. Xu , K. E Sickafus
Physical Review Materials, 2017, 1 (6), pp.65404 - 65404. ⟨10.1103/PhysRevMaterials.1.065404⟩
Journal articles hal-01781627v1
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Subcascade formation and defect cluster size scaling in high-energy collision events in metals

A. de Backer , A.E. Sand , K. Nordlund , Laurence Luneville , D Simeone , et al.
EPL - Europhysics Letters, 2016, 115, pp.26001. ⟨10.1209/0295-5075/115/26001⟩
Journal articles istex hal-01502063v1
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Refinement of the alpha-U$_4$O$_9$ crystalline structure: New insight into the U$_4$O$_9$-> U$_3$O$_8$ transformation

Lionel Desgranges , Gianguido Baldinozzi , David Simeone , H. E. Fischer
Inorganic Chemistry, 2011, 50, pp.6146-6151. ⟨10.1021/ic200316b⟩
Journal articles hal-00639190v1
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Strain analysis by inversion of coherent Bragg X-ray diffraction intensity: the illumination problem

Virginie Chamard , Mickaël Dollé , G. Baldinozzi , F. Livet , M. de Boissieu , et al.
Journal of Modern Optics, 2010, 57 (9), pp.818-825. ⟨10.1080/09500341003746645⟩
Journal articles hal-00517210v1
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Preparation of transparent oxyapatite ceramics by combined use of freeze-drying and spark-plasma sintering

A. Chesnaud , Christine Bogicevic , Fabienne Karolak , C. Estournes , Guilhem Dezanneau
Chemical Communications, 2007, 15, pp.1550-1552. ⟨10.1039/b615524c⟩
Journal articles hal-00176586v1
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High-pressure Raman investigation of the Pb-free relaxor BaTi0.65Zr0.35O3

J. Kreisel , P. Bouvier , Mario Maglione , B. Dkhil , Annie Simon
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2004, 69 (9), 092104 (4 p.). ⟨10.1103/PhysRevB.69.092104⟩
Journal articles hal-00137435v1
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Domain structure sequence in ferroelectric Pb(Zr0.2Ti0.8)O-3 thin film on MgO

P.-E. Janolin , B. Fraisse , B. Dkhil , Françoise Le Marrec , E. Ringgaard
Applied Physics Letters, 2007, 90 (16), pp.162906. ⟨10.1063/1.2727563⟩
Journal articles hal-00382765v1
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Partial decoupling between strain and polarization in mono-oriented Pb(Zr0.2Ti0.8)O3 thin film

P.-E. Janolin , B. Fraisse , Françoise Le Marrec , B. Dkhil
Applied Physics Letters, 2007, 90 (21), pp.212904. ⟨10.1063/1.2742313⟩
Journal articles hal-00176571v1
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Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot S and C-H center dot center dot S interactions

Sladjana Novakovic , Bernard Fraisse , Goran A. Bogdanović , Anne Spasojevic - de Biré
Crystal Growth & Design, 2007, 7 (2), pp.191-195. ⟨10.1021/cg060497+⟩
Journal articles hal-00142345v1
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Cytosine-Cytosinium Dimer Behavior in a Cocrystal with a Decavanadate Anion as a Function of the Temperature

N. Bosnjakovic - Pavlovic , A. Spasojevic-De-Biré
Journal of Physical Chemistry A, 2010, 114 (39), pp.10664-10675. ⟨10.1021/jp100742g⟩
Journal articles hal-00582414v1
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Crystallographic Statistical Study of Decavanadate Anion Based-Structures: Toward a Prediction of Noncovalent Interactions

N. Bosnjakovic - Pavlovic , Josselin Prevost , A. Spasojevic-De-Biré
Crystal Growth & Design, 2011, 11 (9), pp.3778-3789. ⟨10.1021/cg200236d⟩
Journal articles hal-00633676v1
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Stability of Glassy and Ferroelectric States in the Relaxors PbMg1/3Nb2/3O3 and PbMg1/3Nb2/3O3-12% PbTiO3

Eugene V. Colla , D. Vigil , J. Timmerwilke , M. B. Weissman , D. D. Viehland , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (21), pp.214201. ⟨10.1103/PhysRevB.75.214201⟩
Journal articles hal-00176613v1
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Single crystal growth of Mn 4 Nb 2 O 9 and its structure-magnetic coupling

Yiming Cao , Maolin Xiang , Zhenjie Feng , Baojuan Kang , Jincang Zhang , et al.
RSC Advances, 2017, ⟨10.1039/c6ra26231g⟩
Journal articles hal-01486142v1
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Propriétés thermo-mécaniques des matériaux pour les piles à combustible

Desirée Ciria Matamoros
Autre. Université Paris Saclay (COmUE); Universidad de Sevilla (Espagne), 2017. Français. ⟨NNT : 2017SACLC064⟩
Theses tel-02426004v1
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Improving atomic displacement and replacementcalculations with physically realistic damagemodels

K. Nordlund , S. Zinkle , A. E. Sand , F. Granberg , R. Averback , et al.
Nature Communications, 2018, 9 (1), pp.1084. ⟨10.1038/s41467-018-03415-5⟩
Journal articles cea-02339821v1
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Irradiation-based design of mechanically resistant microstructures tuned viamultiscale phase-field modeling

Gilles Demange , S. Depinoy , L. Luneville , D. Simeone , V. Pontikis
Scientific Reports, 2018, 8 (1), pp.10237. ⟨10.1038/s41598-018-28685-3⟩
Journal articles cea-02339614v1

What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel

L. Desgranges , Y. Ma , Ph. Garcia , G. Baldinozzi , D. Simeone , et al.
Inorganic Chemistry, 2016, 56 (1), pp.321-326. ⟨10.1021/acs.inorgchem.6b02111⟩
Journal articles hal-02317105v1
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Emersion Project (AO2015) : Nanoscale assembly of non-miscible metals by numerical engineering of their interfaces.

Vassilis Pontikis , Gianguido Baldinozzi
Journée du Labex PALM 2019, Feb 2019, Palaiseau, France
Conference poster hal-02007211v1

Depth Profiling of Strain in Textured Tungsten Thin Films

Chenyi Li , Gianguido Baldinozzi , Philippe Lecoeur , Thomas Maroutian , Vassilis Pontikis
MRS Fall Meeting 2017. Symp. TC07. Mechanical Behavior at the Micro and Nanoscale - Bridging Between Computer Simulations and Experiments, Nov 2017, Boston, United States. 2017
Conference poster hal-01933136v1
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Proton diffusion mechanisms in the double perovskite cathode material GdBaCo2O5.5 : A molecular dynamics study

Fabien Brieuc , Guilhem Dezanneau , Marc Hayoun , Hichem Dammak
Solid State Ionics, 2017, 309, pp.187 - 191. ⟨10.1016/j.ssi.2017.07.017⟩
Journal articles hal-01932509v1

A comparison of bonding and charge density in δ-UO3, γ-UO3, and La6UO12

Luis A. Casillas , Gianguido Baldinozzi , Maulik Patel , Haixuan Xu , Kurt E. Sickafus
E-MRS Fall Meeting 2017 : Basic research on ionic-covalent materials for nuclear applications, Sep 2017, Warsaw, Poland
Conference papers hal-01929564v1

Atomistic study of hetero-phase, semi-coherent interfaces between immiscible metals : The cases of AgCu and CuW.

Vassilis Pontikis , Gianguido Baldinozzi , Abhishek Bose , Chenyi Li , Laurence Luneville , et al.
MRS Spring Meeting 2016 : Multiscale behavior of materials in extreme environments,, Mar 2016, Phoenix, United States
Conference papers hal-01929520v1

Grain size effects on irradiated CeO2, ThO2, and UO2

William Cureton , Raul Palomares , Jeffrey Walters , Cameron Tracy , Chien-Hung Chen , et al.
Acta Materialia, 2018, 160, pp.47 - 56. ⟨10.1016/j.actamat.2018.08.040⟩
Journal articles hal-01915325v1

Characterization of Oxygen Defect Clusters in UO2+x Using Neutron Scattering and PDF Analysis

Y. Ma , Ph. Garcia , J. Lechelle , A. Miard , L. Desgranges , et al.
Inorganic Chemistry, 2018, 57 (12), pp.7064-7076. ⟨10.1021/acs.inorgchem.8b00750⟩
Journal articles hal-01885981v1

Towards precise evaluation of hydration in protonic and mixed H+/e-conducteurs

L. Thommy , R. Tchakalov , R.N. Vannier , S. Surble , G. Dezanneau
GrR 3652 HySPàC Réunion plénière, May 2018, GRENOBLE, France
Conference papers hal-01884816v1

Mechanical properties of materials for solid Oxide Cells

H. Noel , N. Roubier , X. Bril , V. Aubin , G. Dezanneau
GrR 3652 HySPàC Réunion plénière, May 2018, Grenoble, France
Conference poster hal-01881965v1

Simulations of oxygen diffusion mechanism in Nd1-xAExBaInO4-x/2(AE=Ca,Sr,Ba) through molecular dynamics

C. Li , G. Dezanneau
GrR 3652 HySPàC Réunion plénière, May 2018, GRENOBLE, France
Conference papers hal-01881941v1

INGénierie et OPtimisation d'INTerfaces de Piles à Combustible à Oxides Solides hautes performances (INGOPINT-PàCOS)

Rossen Tchakolov, , Anthony Chesnaud , Francesco Delloro , Alain Thorel , G. Dezanneau
GrR 3652 HySPàC Réunion plénière, May 2018, Grenoble, France
Conference poster hal-01881191v1

Durability of fuel cells - size of a representative volume element

Ciria Désirée , Nhat Quang Ta , Guilhem Dezanneau , Véronique Aubin
12th international Fatigue Congress, May 2018, Poitiers, France. pp.878
Conference papers hal-01858613v1

Impact of nuclear transmutations on the primary damage production: The example of Ni based steels

Laurence Lunéville , Jean Christphe Sublet , David Simeone
Journal of Nuclear Materials, 2018, 505, pp.262 - 266. ⟨10.1016/j.jnucmat.2017.06.039⟩
Journal articles hal-01820244v1