Jean-Claude Crivello

Identifiants chercheurs

IdHAL :

jean-claude-crivello

ORCID :

0000-0002-4849-2556

IdRef :

091979927

Publications

Article dans une revue (80)

Prediction and characterization of chemically complex σ − phase intermetallics with graph neural network Wenhao Zhang,Mariano Forti,Runan Xie,Céline Barreteau,Taichi Abeet al. Acta Materialia, 2025, 300, pp.121427. ⟨10.1016/j.actamat.2025.121427⟩ Article dans une revue hal-05262526v1
Steric confinement for suppressing ion migration and boosting thermoelectric performance in Cu–S system via Ag and Se co-doping Xinyuan Wang,Cédric Bourgès,Jean-Claude Crivello,Takao Mori Acta Materialia, 2025, 299, pp.121424. ⟨10.1016/j.actamat.2025.121424⟩ Article dans une revue hal-05262532v1
A Theoretical Study of the Bonding Properties of R4Sb3 Compounds Vincent Pelletier,Hugo Bouteiller,Bruno Fontaine,David Berthebaud,Jean-Claude Crivelloet al. Solid State Sciences, 2025, 164, pp.107936. ⟨10.1016/j.solidstatesciences.2025.107936⟩ Article dans une revue hal-05119666v1
Promising multi-component cubic alloys for hydrogen storage: Insights from first-principles calculations and machine learning Zeineb Nefzi,Celine Barreteau,Lucas Levrel,Jean-Claude Crivello ACS Applied Energy Materials, 2025, 8 (6), pp.3327-3337. ⟨10.1021/acsaem.4c02728⟩ Article dans une revue hal-05008497v1
Layered Calcium Borohydride Polymorph via an Enhanced Evolutionary Algorithm Vladimir Baturin,Jean-Claude Crivello ACS Applied Energy Materials, 2025, 8 (4), pp.2158-2166. ⟨10.1021/acsaem.4c02669⟩ Article dans une revue hal-05008488v1
Crystal chemistry of the solid solutions based on β-Mn Jean-Marc Joubert,Jean-Claude Crivello Acta Materialia, 2024, 267, pp.119738. ⟨10.1016/j.actamat.2024.119738⟩ Article dans une revue hal-04666854v1
Thermodynamic modeling of the Mo–Pt system based on the NACEF approach J.M. Fiorani,M. Siblani,J. -M. Joubert,C. Barreteau,J.-C. Crivelloet al. Calphad, 2024, 84, pp.102665. ⟨10.1016/j.calphad.2024.102665⟩ Article dans une revue hal-04687349v1
Restructuring disorder: transformation from the antiferromagnetic order in Fe 2 VSi to the ferromagnetic state in FeRuVSi by substitution of a non-magnetic element Shuvankar Gupta,Sudip Chakraborty,Celine Barreteau,Jean-Claude Crivello,Jean-Marc Grenecheet al. Journal of Materials Chemistry C, 2024, ⟨10.1039/D4TC02267J⟩ Article dans une revue hal-04728488v1
Intermetallics of 4:4:1 and 3:3:1 series in La–(Co,Ni)–M (M = Bi, Pb, Te, Sb, Sn and Ga, Al) systems and their properties Vitalii Shtender,Volodymyr Smetana,Jean-Claude Crivello,Anatolii Kravets,Łukasz Gondeket al. Journal of Alloys and Compounds, 2024, 982, pp.173767. ⟨10.1016/j.jallcom.2024.173767⟩ Article dans une revue hal-04563665v1
Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells Arsen Sultanov,Jean-Claude Crivello,Tabea Rebafka,Nataliya Sokolovska Journal of Chemical Information and Modeling, 2023, 63 (22), pp.6986-6997. ⟨10.1021/acs.jcim.3c00969⟩ Article dans une revue hal-04469812v1
Screening New Quaternary Semiconductor Heusler Compounds By Machine-Learning Methods Runan Xie,Jean-Claude Crivello,Céline Barreteau Chemistry of Materials, 2023, 35 (18), pp.7615-7627. ⟨10.1021/acs.chemmater.3c01323⟩ Article dans une revue hal-04297452v1
4 d element induced improvement of structural disorder and development of weakly reentrant spin-glass behavior in NiRuMnSn Shuvankar Gupta,Sudip Chakraborty,Vidha Bhasin,Santanu Pakhira,Anis Biswaset al. Physical Review B, 2023, 108 (5), pp.054405. ⟨10.1103/PhysRevB.108.054405⟩ Article dans une revue hal-04182141v1
SrCuP and SrCuSb Zintl phases as potential thermoelectric materials A. Moll,A. Hamidou,J.-C. Crivello,J.-M. Joubert,E. Allenoet al. Journal of Alloys and Compounds, 2023, 942, pp.169123. ⟨10.1016/j.jallcom.2023.169123⟩ Article dans une revue hal-03974626v1
Experimental determination of the H–Hf phase diagram using in situ neutron diffraction Maxime Dottor,Jean-Claude Crivello,L. Laversenne,Jean-Marc Joubert Journal of Alloys and Compounds, 2023, 937, pp.168353. ⟨10.1016/j.jallcom.2022.168353⟩ Article dans une revue hal-04246782v1
Investigations of the Mn–Ni–Sm ternary system by means of anomalous X-ray diffraction, X-ray absorption and DFT calculations Nicolas Madern,Judith Monnier,Jean-Claude Crivello,Junxian Zhang,Karine Provostet al. Journal of Alloys and Compounds, 2023, 939, pp.168682. ⟨10.1016/j.jallcom.2022.168682⟩ Article dans une revue hal-04252334v1
CoMnCrGa: a novel ferromagnetic material with high spin-polarization for room temperature spintronics Shuvankar Gupta,Sudip Chakraborty,Vidha Bhasin,Santanu Pakhira,Shovan Danet al. Journal of Materials Chemistry C, 2023, 11 (44), pp.15489-15499. ⟨10.1039/d3tc02813e⟩ Article dans une revue hal-04313220v1
Critical reassessment of the H-Nb system and experimental investigation and thermodynamic modeling of the H-Nb-Zr system Maxime Dottor,Jean-Claude Crivello,Jean-Marc Joubert Calphad, 2023, 83, pp.102617. ⟨10.1016/j.calphad.2023.102617⟩ Article dans une revue hal-04246786v2
Honeycomb Constructs in the La–Ni Intermetallics: Controlling Dimensionality via p -Element Substitution Vitalii Shtender,Volodymyr Smetana,Jean-Claude Crivello,Łukasz Gondek,Janusz Przewoźniket al. Inorganic Chemistry, 2023, 62 (37), pp.14843-14851. ⟨10.1021/acs.inorgchem.3c00502⟩ Article dans une revue hal-04294532v1
New approach to the compound energy formalism (NACEF) Part II. Thermodynamic modelling of the Al–Nb system supported by first-principles calculations J.M. Fiorani,M. Badran,J.M. Joubert,J.C. Crivello,A.A.A.P. da Silvaet al. Calphad, 2023, 80, pp.102522. ⟨10.1016/j.calphad.2022.102522⟩ Article dans une revue hal-04246773v1
Observation of charge transfer induced large enhancement of magnetic moment in a structurally disordered inverse Heusler alloy Fe 2 RuGe Sudip Chakraborty,Shuvankar Gupta,Vidha Bhasin,Santanu Pakhira,Céline Barreteauet al. Physical Review B, 2023, 108 (24), pp.245151. ⟨10.1103/PhysRevB.108.245151⟩ Article dans une revue hal-04375113v1
Site occupancies in a chemically complex σ-phase from the high-entropy Cr–Mn–Fe–Co–Ni system Jean-Marc Joubert,Yordan Kalchev,Andrea Fantin,Jean-Claude Crivello,Rico Zehlet al. Acta Materialia, 2023, 259, pp.119277. ⟨10.1016/j.actamat.2023.119277⟩ Article dans une revue hal-04246769v1
Chemical Composition of Lithiated Nitrodonickelates Li 3– xy Ni x N: Evidence of the Intermediate Valence of Nickel Ions from Ion Beam Analysis and Ab Initio Calculations Thomas Fernandes,Thomas Cavoué,P. Berger,Céline Barreteau,Jean-Claude Crivelloet al. Inorganic Chemistry, 2023, 62 (39), pp.16013-16020. ⟨10.1021/acs.inorgchem.3c02117⟩ Article dans une revue hal-04228615v1
High spin polarization in the disordered quaternary Heusler alloy FeMnVGa Shuvankar Gupta,Sudip Chakraborty,Vidha Bhasin,Santanu Pakhira,Shovan Danet al. Physical Review B, 2023, 108 (4), pp.045137. ⟨10.1103/PhysRevB.108.045137⟩ Article dans une revue hal-04181900v1
Low temperature study of phase equilibria in the Co–Ni–W ternary system: Evidence of a new intermetallic phase Co3W-D0a Nicolas Bouliez,Jérôme Andrieux,Rodica Chiriac,François Toche,Jean-Claude Crivelloet al. Journal of Alloys and Compounds, 2022, 892, pp.162109. ⟨10.1016/j.jallcom.2021.162109⟩ Article dans une revue hal-03371636v1
Coexisting structural disorder and robust spin-polarization in half-metallic FeMnVAl Shuvankar Gupta,Sudip Chakraborty,Santanu Pakhira,Celine Barreteau,Jean-Claude Crivelloet al. Physical Review B, 2022, 106 (11), pp.115148. ⟨10.1103/PhysRevB.106.115148⟩ Article dans une revue hal-03812754v1
Thermodynamic modeling of Cr and Cr–H systems up to high temperatures and high pressures Maxime Dottor,Jean-Claude Crivello,Jean-Marc Joubert International Journal of Hydrogen Energy, 2022, 47 (55), pp.23293-23309. ⟨10.1016/j.ijhydene.2022.04.245⟩ Article dans une revue hal-03747843v1
Influence of self-substitution on the thermoelectric Fe2VAl Heusler alloy A. Diack-Rasselio,O. Rouleau,L. Coulomb,L. Georgeton,M. Beaudhuinet al. Journal of Alloys and Compounds, 2022, 920, pp.166037. ⟨10.1016/j.jallcom.2022.166037⟩ Article dans une revue hal-03752661v1
What is the Enthalpy Contribution to the Stabilization of the Co–Cr–Fe–Mn–Ni Faced-centered Cubic Solid Solution? Guillaume Bracq,Jean-Claude Crivello,Mathilde Laurent-Brocq,Jean-Marc Joubert,Ivan Guillot Journal of Phase Equilibria and Diffusion, 2021, ⟨10.1007/s11669-021-00922-9⟩ Article dans une revue hal-03384670v1
Modification of Lu's (2005) high pressure model for improved high pressure/high temperature extrapolations. Part I: modeling of platinum at high pressure/high temperature Jean-Marc Joubert,Jean-Claude Crivello,G. Deffrennes Calphad, 2021, 74, pp.102304. ⟨10.1016/j.calphad.2021.102304⟩ Article dans une revue hal-03295408v1
Supervised deep learning prediction of the formation enthalpy of complex phases using a DFT database: the σ−phase as an example Jean-Claude Crivello,Jean-Marc Joubert,Nataliya Sokolovska Computational Materials Science, 2021, 201, pp.110864. ⟨10.1016/j.commatsci.2021.110864⟩ Article dans une revue hal-03443566v1
Modification of Lu's (2005) high pressure model for improved high pressure/high temperature extrapolations. Part II: modeling of osmium-platinum system at high pressure/high temperature Jean-Marc Joubert,Jean-Claude Crivello,Kirill V Yusenko Calphad, 2021, 74, pp.102311. ⟨10.1016/j.calphad.2021.102311⟩ Article dans une revue hal-03295413v1
Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors. Paul Lafaye,Caroline Toffolon-Masclet,Jean-Claude Crivello,Jean-Marc Joubert Journal of Nuclear Materials, 2021, 544, pp.152692. ⟨10.1016/j.jnucmat.2020.152692⟩ Article dans une revue hal-03145651v2
Thermodynamic modelling of the Fe-Sn-Zr system based on new experiments and first- principles calculations Paul Lafaye,Caroline Toffolon-Masclet,Jean-Claude Crivello,Jean-Marc Joubert Journal of Alloys and Compounds, 2020, 821, pp.153200. ⟨10.1016/j.jallcom.2019.153200⟩ Article dans une revue hal-02570991v1
Relation between the weak itinerant magnetism in A2Ni7 compounds ( A = Y, La) and their stacked crystal structures J-C Crivello,V. Paul-Boncour Journal of Physics: Condensed Matter, 2020, 32 (14), pp.145802. ⟨10.1088/1361-648x/ab6045⟩ Article dans une revue hal-02436487v1
TbMgNi 4- x Co x –(H,D) 2 System. I: Synthesis, Hydrogenation Properties, and Crystal and Electronic Structures Vitalii V Shtender,Valérie Paul-Boncour,Roman Denys,Jean-Claude Crivello,Ihor Yu. Zavaliy Journal of Physical Chemistry C, 2020, 124 (1), pp.196-204. ⟨10.1021/acs.jpcc.9b10252⟩ Article dans une revue hal-02436455v1
Optimization of Criteria for an Efficient Screening of New Thermoelectric Compounds: The TiNiSi Structure-Type as a Case-Study Céline Barreteau,Jean-Claude Crivello,Jean-Marc Joubert,Eric Alleno ACS Combinatorial Science, 2020, 22 (12), pp.813-820. ⟨10.1021/acscombsci.0c00133⟩ Article dans une revue hal-03007720v1
Correlations between stacked structures and weak itinerant magnetic properties of La2−xYxNi7 compounds Valérie Paul-Boncour,Jean-Claude Crivello,Nicolas Madern,Junxian Zhang,L. V. B. Diopet al. Journal of Physics: Condensed Matter, 2020, 32 (41), pp.415804. ⟨10.1088/1361-648X/ab9d4c⟩ Article dans une revue hal-02919132v1
Reduced phase space of heat-carrying acoustic phonons in single-crystalline InTe Shantanu Misra,Céline Barreteau,Jean-Claude Crivello,Valentina Giordano,John-Paul Castellanet al. Physical Review Research, 2020, 2 (4), pp.043371. ⟨10.1103/physrevresearch.2.043371⟩ Article dans une revue hal-03093472v1
On the structure and electronic properties of Fe2V0.8W0.2Al thin films E. Alleno,A. Berche,J.-C. Crivello,A. Diack-Rasselio,P. Jund Physical Chemistry Chemical Physics, 2020, 22, pp.22549 - 22554. ⟨10.1039/D0CP03738A⟩ Article dans une revue hal-02955610v1
Materials for hydrogen-based energy storage – past, recent progress and future Michael Hirscher,Volodymyr Yartys,Marcello Baricco,Jose Bellosta von Colbe,Didier Blanchardet al. Journal of Alloys and Compounds, 2020, 827, pp.153548. ⟨10.1016/j.jallcom.2019.153548⟩ Article dans une revue hal-02517149v1
Synthesis of Ti-Ni alloy by mechanical alloying and their hydrogen solubility Tohru Nobuki,Minoru Hatate,Fermin Cuevas,Jean-Claude Crivello,Jean-Marc Joubert The Proceedings of Conference of Chugoku-Shikoku Branch, 2019, 2019.57, pp.306. ⟨10.1299/jsmecs.2019.57.306⟩ Article dans une revue hal-02312372v1
Pd–H and Ni–H phase diagrams using cluster variation method and Monte Carlo simulation Natacha Bourgeois,Pierre Cenedese,Jean-Claude Crivello,Jean-Marc Joubert Philosophical Magazine, 2019, 99 (19), pp.2376-2392. ⟨10.1080/14786435.2019.1628367⟩ Article dans une revue hal-02324820v1
Atomic interactions in C15 Laves phases J.-C. Crivello,J.-M. Joubert,T. Mohri Journal of Materials Science, 2019, 54 (6), pp.4742-4753. ⟨10.1007/s10853-018-3169-4⟩ Article dans une revue hal-02011308v1
Looking for new thermoelectric materials among TMX intermetallics using high-throughput calculations Céline Barreteau,Jean-Claude Crivello,Jean-Marc Joubert,Eric Alleno Computational Materials Science, 2019, 156, pp.96-103. ⟨10.1016/j.commatsci.2018.09.030⟩ Article dans une revue hal-03007688v1
Fast synthesis of TiNi by mechanical alloying and its hydrogenation properties Tohru Nobuki,Jean-Claude Crivello,Fermin Cuevas,Jean-Marc Joubert International Journal of Hydrogen Energy, 2019, 44 (21), pp.10770-10776. ⟨10.1016/j.ijhydene.2019.02.203⟩ Article dans une revue hal-02279918v1
TiVZrNb Multi-Principal-Element Alloy: Synthesis Optimization, Structural, and Hydrogen Sorption Properties Jorge Montero,Claudia Livia Zlotea,Gustav Ek,Jean-Claude Crivello,Laetitia Laversenneet al. Molecules, 2019, 24 (15), pp.2799. ⟨10.3390/molecules24152799⟩ Article dans une revue hal-02310747v1
Description of terminal substitutional solid solutions using the sublattice model Jean-Marc Joubert,Jean-Claude Crivello Calphad, 2019, 67, pp.101685. ⟨10.1016/j.calphad.2019.101685⟩ Article dans une revue hal-02333929v1
Experimental investigations and thermodynamic modelling of the Cr–Nb–Sn–Zr system Paul Lafaye,Caroline Toffolon-Masclet,Jean-Claude Crivello,Jean-Marc Joubert Calphad, 2019, 64, pp.43 - 54. ⟨10.1016/j.calphad.2018.11.002⟩ Article dans une revue (article de synthèse) hal-04427982v1
Magnesium based materials for hydrogen based energy storage: Past, present and future V.A. Yartys,M.V. Lototskyy,E. Akiba,R. Albert,E. Antonovet al. International Journal of Hydrogen Energy, 2019, 44 (15), pp.7809-7859. ⟨10.1016/j.ijhydene.2018.12.212⟩ Article dans une revue hal-02090051v1
Experimental and Theoretical Investigations on the Influence of A on the Hydrogen Sorption Properties of A Ni y Compounds, A = {Y, Sm, Gd} Jean-Claude Crivello,Nicolas Madern,Junxian Zhang,Judith Monnier,Michel Latroche Journal of Physical Chemistry C, 2019, 123 (38), pp.23334-23341. ⟨10.1021/acs.jpcc.9b04600⟩ Article dans une revue hal-02324804v1
Mechanosynthesis and Reversible Hydrogen Storage of Mg&lt;sub&gt;2&lt;/sub&gt;Ni and Mg&lt;sub&gt;2&lt;/sub&gt;Cu Alloys Tohru Nobuki,Yuki Okuzumi,Minoru Hatate,Jean-Claude Crivello,Fermin Cuevaset al. Materials Transactions, 2019, 60 (3), pp.441-449. ⟨10.2320/matertrans.M2018293⟩ Article dans une revue hal-02050004v1
Summary report of CALPHAD XLVI - Saint-Malo, France, 2017 Jean-Marc Joubert,Annie Antoni-Zdziobek,Jean-Claude Crivello Calphad, 2018, 63, pp.229-290. ⟨10.1016/j.calphad.2018.07.001⟩ Article dans une revue hal-02011295v1
Thermodynamic modeling of the Mo–Ni system Khurram Yaqoob,Jean-Claude Crivello,Jean-Marc Joubert Calphad, 2018, 62, pp.215-222 Article dans une revue hal-02011287v1
Synthesis of TiFe Hydrogen Absorbing Alloys Prepared by Mechanical Alloying and SPS Treatment Tohru Nobuki,Taro Moriya,Minoru Hatate,Jean-Claude Crivello,Fermin Cuevaset al. Metals, 2018, 8 (4), pp.264-275 Article dans une revue hal-02055814v1
Vibration analysis of hydrogen, deuterium and tritium in metals: consequences on the isotope effect Natacha Bourgeois,Jean-Claude Crivello,Pierre Cenedese,Valérie Paul-Boncour,Jean-Marc Joubert Journal of Physics: Condensed Matter, 2018, 30 (33), pp.335402. ⟨10.1088/1361-648X/aad259⟩ Article dans une revue hal-02011296v1
Y6Mg9Co2 and Y9Mg30Co2: Novel magnesium-rich compounds representing new structure types V.V. Shtender,V.V. Pavlyuk,R.V. Denys,J.-C. Crivello,O.Ya. Zelinskaet al. Journal of Alloys and Compounds, 2018, 737, pp.613-622. ⟨10.1016/j.jallcom.2017.12.008⟩ Article dans une revue hal-02332297v1
Systematic First-Principles Study of Binary Metal Hydrides Natacha Bourgeois,Jean-Claude Crivello,Pierre Cenedese,Jean-Marc Joubert ACS Combinatorial Science, 2017, 19 (8), pp.513 - 523. ⟨10.1021/acscombsci.7b00050⟩ Article dans une revue hal-01783928v1
Thermodynamic modelling of the Cr-Nb-Sn system Paul Lafaye,Caroline Toffolon-Masclet,Jean-Claude Crivello,Jean-Marc Joubert Calphad, 2017, 57, pp.37 - 45. ⟨10.1016/j.calphad.2017.02.003⟩ Article dans une revue hal-01786097v1
Thermodynamic assessment of the PdRhRu system using calphad and first-principles methods S. Gossé,N. Dupin,C. Guéneau,J.-C. Crivello,J.-M. Joubert Journal of Nuclear Materials, 2016, 474, pp.163 - 173. ⟨10.1016/j.jnucmat.2016.03.025⟩ Article dans une revue hal-01786099v1
Properties of ZrNi5 deuteride synthesized under high pressure studied by neutron diffraction and first principles calculations V. Paul-Boncour,S.M. Filipek,J.-C. Crivello,F. Couturas,A. Morawski International Journal of Hydrogen Energy, 2016, 41 (39), pp.17408 - 17420. ⟨10.1016/j.ijhydene.2016.07.127⟩ Article dans une revue hal-01792342v1
Electronic structure, low-temperature transport and thermodynamic properties of polymorphic β-As&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub&gt;3&lt;/sub&gt; Jean-Baptiste Vaney,Jean-Claude Crivello,Cédric Morin,Gaëlle Delaizir,Julie Carreaudet al. RSC Advances, 2016, 6 (57), pp.52048-52057. ⟨10.1039/c6ra01770c⟩ Article dans une revue hal-01325342v1
Order-disorder transitions in the Fe 2 VAl Heusler alloy S. Maier,S. Denis,S. Adam,J.-C. Crivello,J.-M. Joubertet al. Acta Materialia, 2016, 121, pp.126 - 136. ⟨10.1016/j.actamat.2016.08.080⟩ Article dans une revue hal-01786101v1
Experimental study and thermodynamic description of the erbium–hydrogen–zirconium ternary system Aurore Mascaro,Caroline Toffolon-Masclet,Caroline Raepsaet,Jean-Claude Crivello,Jean-Marc Joubert Journal of Nuclear Materials, 2015, 456, pp.7-16. ⟨10.1016/j.jnucmat.2014.09.015⟩ Article dans une revue hal-01157260v1
First principles calculations of (La,Mg) 2 Ni 7 hydrides Jean-Claude Crivello,Michèle Gupta,Michel Latroche Journal of Alloys and Compounds, 2015, 645, pp.S5 - S8. ⟨10.1016/j.jallcom.2015.03.177⟩ Article dans une revue hal-01792339v1
ZenGen, a tool to generate ordered configurations for systematic first-principles calculations: The Cr–Mo–Ni–Re system as a case study J.-C. Crivello,R. Souques,A. Breidi,N. Bourgeois,J.-M. Joubert Calphad, 2015, 51, pp.233 - 240. ⟨10.1016/j.calphad.2015.09.005⟩ Article dans une revue hal-01786104v1
Polymorphism in Thermoelectric As&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub&gt;3&lt;/sub&gt; Cédric Morin,Serena Corallini,Julie Carreaud,Jean-Baptiste Vaney,Gaëlle Delaiziret al. Inorganic Chemistry, 2015, 54 (20), pp.9936. ⟨10.1021/acs.inorgchem.5b01676⟩ Article dans une revue hal-01219302v1
Irregular Homogeneity Domains in Ternary Intermetallic Systems Jean-Marc Joubert,Mohamed Andasmas,Jean-Claude Crivello Applied Sciences, 2015, 5 (4), pp.1570 - 1589. ⟨10.3390/app5041570⟩ Article dans une revue hal-01786105v1
Structural and magnetic properties of &lt;mml:math altimg=&quot;si0059.gif&quot; overflow=&quot;scroll&quot; xmlns:xocs=&quot;http://www.elsevier.com/xml/xocs/dtd&quot; xmlns:xs=&quot;http://www.w3.org/2001/XMLSchema&quot; xmlns:xsi=&quot;http://www.w3.org/2001/XMLSchema-instance&quot; xmlns=&quot;http://www.elsevier.com/xml/ja/dtd&quot; xmlns:ja=&quot;http://www.elsevier.com/xml/ja/dtd&quot; xmlns:mml=&quot;http://www.w3.org/1998/Math/MathML&quot; xmlns:tb=&quot;http://www.elsevier.com/xml/common/table/dtd&quot; xmlns:sb=&quot;http://www.elsevier.com/xml/common/struct-bib/dtd&quot; xmlns:ce=&quot;http://www.elsevier.com/xml/common/dtd&quot; xmlns:xlink=&quot;http://www.w3.org/1999/xlink&quot; xmlns:cals=&quot;http://www.elsevier.com/xml/common/cals/dtd&quot; xmlns:sa=&quot;http://www.elsevier.com/xml/common/struct-aff/dtd&quot;&gt;&lt;mml:msub&gt;&lt;mml:mrow&gt;&lt;mml:mi&gt;PrCo&lt;/mml:mi&gt;&lt;/mml:mrow&gt;&lt;mml:mrow&gt;&lt;mml:mn&gt;3&lt;/mml:mn&gt;&lt;mml:mo&gt;−&lt;/mml:mo&gt;&lt;mml:mi&gt;x&lt;/mml:mi&gt;&lt;/mml:mrow&gt;&lt;/mml:msub&gt;&lt;mml:msub&gt;&lt;mml:mrow&gt;&lt;mml:mi&gt;Fe&lt;/mml:mi&gt;&lt;/mml:mrow&gt;&lt;mml:mrow&gt;&lt;mml:mi&gt;x&lt;/mml:mi&gt;&lt;/mml:mrow&gt;&lt;/mml:msub&gt;&lt;/mml:math&gt; by neutron powder diffraction and electronic structure investigations K. Younsi,R. Bez,J.-C. Crivello,V. Paul-Boncour,K. Zehaniet al. Journal of Solid State Chemistry, 2015, 230, pp.19 - 25. ⟨10.1016/j.jssc.2015.05.023⟩ Article dans une revue istex hal-01792337v1
Structural and magnetic properties of PrCo 3 − x Fe x by neutron powder diffraction and electronic structure investigations K. Younsi,R. Bez,J.-C. Crivello,V. Paul-Boncour,K. Zehaniet al. Journal of Solid State Chemistry, 2015, 230, pp.19-25. ⟨10.1016/j.jssc.2015.05.023⟩ Article dans une revue istex hal-04231999v1
Hydrogen sorption properties of Pd–Co nanoalloys embedded into mesoporous carbons Claudia Livia Zlotea,Camélia Matei Ghimbeu,Yassine Oumellal,Jean-Claude Crivello,Cathie Vix-Guterlet al. Nanoscale, 2015, 7 (37), pp.15469-15476. ⟨10.1039/c5nr03143e⟩ Article dans une revue hal-02465149v1
Thermodynamic Modeling of the Ni–H System Natacha Bourgeois,Jean-Claude Crivello,Arkapol Saengdeejing,Ying Chen,Pierre Cenedeseet al. Journal of Physical Chemistry C, 2015, 119 (43), pp.24546 - 24557. ⟨10.1021/acs.jpcc.5b06393⟩ Article dans une revue hal-01786103v1
Experimental and computed phase diagrams of the Fe–Re system A. Breidi,M Andasmas,J-C Crivello,N. Dupin,J-M Joubert Journal of Physics: Condensed Matter, 2014, 26 (48), ⟨10.1088/0953-8984/26/48/485402⟩ Article dans une revue hal-01786106v1
First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re–X systems (X=Ta, V, W) Mauro Palumbo,Suzana Fries,Thomas Hammerschmidt,Taichi Abe,Jean-Claude Crivelloet al. Computational Materials Science, 2014, 81, pp.433 - 445. ⟨10.1016/j.commatsci.2013.08.051⟩ Article dans une revue hal-01786110v1
Phase stability in the ternary Re–W–Zr system Jean-Marc Joubert,Jean-Claude Crivello,Mohamed Andasmas,Pierre Joubert Acta Materialia, 2014, 70, pp.56 - 65. ⟨10.1016/j.actamat.2014.02.010⟩ Article dans une revue hal-01786107v1
χ and σ Phases in Binary Rhenium–Transition Metal Systems: a Systematic First-Principles Investigation Jean-Claude Crivello,Abedalhasan Breidi,Jean-Marc Joubert Inorganic Chemistry, 2013, 52 (7), pp.3674 - 3686. ⟨10.1021/ic302142w⟩ Article dans une revue hal-01786961v1
Structural and magnetic properties of nanocrystalline PrCo3−xFex K. Younsi,Lotfi Bessais,J.-C. Crivello,V. Russier Journal of Magnetism and Magnetic Materials, 2013, 340, pp.10-15. ⟨10.1016/j.jmmm.2013.02.039⟩ Article dans une revue istex hal-04235343v1
CALPHAD description of the Mo-Re system focused on the sigma phase modeling R. Mathieu,N. Dupin,J-C Crivello,K. Yaqoob,A. Breidiet al. Calphad, 2013, 43, pp.18-31. ⟨10.1016/j.calphad.2013.08.002⟩ Article dans une revue hal-01289986v1
Structural stability of ternary C22-Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22-Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds Colinet Catherine,Jean-Claude Crivello,Jean-Claude Tedenac Journal of Solid State Chemistry, 2013, 205, pp.217-224. ⟨10.1016/j.jssc.2013.07.017⟩ Article dans une revue istex hal-00926750v1
Study of the magnetic and electronic properties of nanocrystalline PrCo 3 by neutron powder diffraction and density functional theory Khedidja Younsi,Jean-Claude Crivello,Valérie Paul-Boncour,Lotfi Bessais,Florence Porcheret al. Journal of Physics: Condensed Matter, 2013, 25 (11), pp.116001. ⟨10.1088/0953-8984/25/11/116001⟩ Article dans une revue hal-04235316v1
Hard Magnetic PrCo3 : Structural and Magnetic Properties K. Younsi,Lotfi Bessais,V. Russier,J.C. Crivello Proceeding of the TMS meeting, 2011, 1, pp.381-387 Article dans une revue hal-04235173v1

Communication dans un congrès (20)

Screening new entropy stabilized oxides by DFT calculations and active learning Sébastien Junier,Céline Barreteau,Christophe Bajan,Guillaume Lambard,Jean-Claude Crivello 52nd International Conference on Computer Coupling of Phase Diagrams and Thermochemistry, May 2025, Busan, South Korea Communication dans un congrès hal-05582920v1
Screening new entropy stabilized oxides by DFT calculations and active learning Sébastien Junier,Céline Barreteau,Christophe Bajan,Guillaume Lambard,Jean-Claude Crivello Workshop on Material Science Modeling & Design in action !, May 2025, Tsukuba, Japan Communication dans un congrès hal-05582926v1
Screening new Entropy Stabilized Oxides by DFT calculations and machine learning Sébastien Junier,Céline Barreteau,Jean-Claude Crivello Journées Plénières du GDR IAMAT, Jul 2024, Toulouse, France Communication dans un congrès hal-05582951v1
Atomistic simulations and active learning of the enthalpy of mixing in liquid and solid solutions Quentin Bizot,Noël Jakse,Jean-Claude Crivello,Ryo Tamura,Guillaume Deffrennes CALPHAD 2024, May 2024, Mannheim, Germany Communication dans un congrès hal-04822053v1
New intermetallic thermoelectric materials among using high-throughput calculations and machine learning Céline Barreteau,Runan Xie,Adrien Moll,Jean-Claude Crivello,Jean-Marc Joubertet al. International Workshop Thermoelectric Materials: from materials chemistry and physics to devices (IWT2023), Apr 2023, Caen, France Communication dans un congrès hal-04952640v1
Screening quaternary Heusler by machine learning for application in thermoelectricity Runan Xie,Jean-Claude Crivello,Celine Barreteau Journées Nationales de ThermoÉlectricité (JNTE2022), Jul 2022, Rennes, France Communication dans un congrès hal-03762034v1
Handling uncertainties in the development of tight-binding potentials : application to zirconium hydride Alessandra del Masto,Céline Varenne,Jean Baccou,G. Tréglia,Fabienne Ribeiroet al. COSIRES 2022 - The 15th conference of Computer Simulation of Irradiation Effects in Solids, CNRS, CINaM, SRMP, CEA, May 2022, Île de Porquerolles, France Communication dans un congrès irsn-03959152v1
Development of thermokinetic tools for phase transformation studies of Zr alloys in service and LOCA conditions Caroline Toffolon-Masclet,Laure Martinelli,Clara Desgranges,Paul Lafaye,Jean-Christophe Brachetet al. 19TH INTERNATIONAL SYMPOSIUM ON ZIRCONIUM IN THE NUCLEAR INDUSTRY, May 2019, Manchester, United Kingdom. pp.833-854, ⟨10.1520/STP162220190040⟩ Communication dans un congrès hal-03384611v1
New promising ternary intermetallic compounds selected by screening calculations Adrien Moll,Jean-Claude Crivello,Jean-Marc Joubert,E Alleno,Céline Barreteau 2021 Virtual Conference on Thermoelectrics (VCT 2021), Jul 2021, Thiais, France Communication dans un congrès hal-03301361v1
W–Ni–Co ternary system thermodynamic description at intermediate temperatures Nicolas Bouliez,J. Andrieux,Olivier Dezellus,Bruno Gardiola,Rodica Chiriacet al. European Congress and Exhibition on Advanced Materials and Processes, EUROMAT 2021, Sep 2021, Graz, Austria Communication dans un congrès hal-04752755v1
W–Ni–Co ternary system thermodynamic description at intermediate temperatures Nicolas Bouliez,Jean-Claude Crivello,Bruno Gardiola,Rodica Chiriac,Francois Tocheet al. EuroPM 2020, Oct 2020, Lisbonne, Portugal Communication dans un congrès hal-04752733v1
Thermoelectric properties of self-substituted Fe2VAl alloys A. Diack-Rasselio,Jean-Marc Joubert,Jean-Claude Crivello,Céline Barreteau,E Alleno 1st Virtual Conference on Thermoelectricity, Jul 2020, Virtual, Italy Communication dans un congrès hal-03331513v1
Recherche de nouveaux matériaux thermoélectriques par criblage ab-initio de composés intermétalliques ternaires Céline Barreteau,Jean-Claude Crivello,Jean-Marc Joubert,E Alleno La Métallurgie, quel avenir !, Apr 2019, Nancy, France Communication dans un congrès hal-03301347v1
Looking for new semiconductors among the TMX intermetallic using high-throughput calculations Céline Barreteau,Jean-Claude Crivello,Jean-Marc Joubert,E Alleno 17th European Conference on Thermoelectrics (ECT 2019), Sep 2019, Limassol, Cyprus Communication dans un congrès hal-03301341v1
Description thermodynamique du systeme Zr-Nb-O-H A. Puaux,C. Toffolon-Masclet,J.-C. Crivello,M. Dottor,J.-M. Joubert Materiaux 2018, Nov 2018, Strasbourg, France Communication dans un congrès cea-02400204v1
Thermodynamic modeling of the Pd-Rh-Ru-Se-Te SystemHigh Temperature Interactions between (Pd-Rh-Ru) platinoids and (Se-Te) chalcogens nuclear fission products S. Bordier,C. Guéneau,J.-C. Crivello,J.-C. Joubert,N. Dupinet al. 2eme reunion sur la Thermodynamique des Materiaux Haute Temperature organisee par le GdR ThermatHT, Jan 2015, Annecy, France Communication dans un congrès cea-02509068v1
Modelling the sigma phase R. Mathieu,N. Dupin,J. -C. Crivello,J. -M. Joubert,K. Yaqoobet al. XXXIX JEEP - 39TH EDITION OF THE JOINT EUROPEAN DAYS ON EQUILIBRIUM BETWEEN PHASES, 2013, Unknown, Unknown Region. ⟨10.1051/matecconf/20130301076⟩ Communication dans un congrès hal-01289981v1
Hard Magnetic PrCo 3 : Structural and Magnetic Properties K. Younsi,Lotfi Bessais,V. Russier,J.C. Crivello TMS2011, Feb 2011, San Diego, United States Communication dans un congrès hal-04525605v1
Magnetic and structural properties of nanocrystalline PrCo 3 K. Younsi,V. Russier,Lotfi Bessais,J.C. Crivello The Joint European Magnetic Symposia, Aug 2010, Cracovie, Poland Communication dans un congrès hal-04525676v1
Magnetic and structural properties of nanocrystalline PrCo 3 K. Younsi,Lotfi Bessais,V. Russier,J.C. Crivello MATERIAUX 2010, Nov 2010, Mahdia, Tunisia Communication dans un congrès hal-04525628v1

Poster de conférence (10)

Screening new Entropy stabilized oxides by DFT calculations and active learning Sébastien Junier,Céline Barreteau,Christophe Bajan,Guillaume Lambard,Jean-Claude Crivello Toyota Workshop, Mar 2025, Nagoya, Japan Poster de conférence hal-05582906v1
Screening of new Entropy Stabilized Oxides by DFT calculations and machine learning Sébastien Junier,Céline Barreteau,Jean-Claude Crivello INTERNATIONAL CONFERENCE ON HIGH-ENTROPY MATERIALS (ICHEM 2023), Jun 2023, Knoxville, TN, United States Poster de conférence hal-05582939v1
Insights on the robustness, sensitivity and expressivity of simple many-body potentials: application to a-Zr Alessandra del Masto,Céline Varenne,Jean Baccou,G. Tréglia,Fabienne Ribeiroet al. Plasticité 2022, Apr 2022, Toulouse, France. Poster de conférence irsn-03959232v1
Criblage de nouveaux matériaux fonctionnels ESOs par calcul DFT et Machine Learning Sébastien Junier,Céline Barreteau,Jean-Claude Crivello Matériaux 2022, Oct 2022, Lille, France Poster de conférence hal-05582955v1
Criblage de nouveaux matériaux fonctionnels ESOs Sébastien Junier,Céline Barreteau,Jean-Claude Crivello Premières Plénières du GDR IAMAT, Apr 2022, Paris, France Poster de conférence hal-05582945v1
Screening quaternary Heusler by machine learning for application in thermoelectricity Runan Xie,Jean-Claude Crivello,Céline Barreteau 18th European Conference on Thermoelectrics (ECT), Sep 2022, Barcelone, Spain. Poster de conférence hal-03888449v1
Prédictions de la stabilité et des propriétés électroniques de phases Heusler quaternaires par apprentissage automatique Runan Xie,Céline Barreteau,Jean-Claude Crivello GDR Intelligence Artificielle en Sciences des Matériaux (GDR IAMAT), May 2022, Paris, France Poster de conférence hal-03761982v1
Metallic fission products phases in nuclear fuels: Thermodynamic modelling of the Mo-Pd-Rh System Théo Croze,Christophe Bonnet,Jean-Claude Crivello,Jean-Marc Joubert,Andrea Quainiet al. Calphad Global, Jun 2021, Paris, France. 2021 Poster de conférence cea-03620249v1
From the ab-initio screening of ternary compounds to the synthesis of HfCoP Céline Barreteau,Jean-Claude Crivello,Jean-Marc Joubert,E Alleno 37th / 16th Internationan and European Conference on Thermoelectrics, Jul 2018, Caen, France Poster de conférence hal-03301354v1
Ground State Properties in the TiNiSi structure-type Céline Barreteau,Jean-Claude Crivello,Jean-Marc Joubert,E Alleno 15 th European Conference on Thermoelectrics, Sep 2017, Padoue, Italy Poster de conférence hal-03301357v1

Pré-publication, Document de travail (4)

SPI-GCN: A Simple Permutation-Invariant Graph Convolutional Network Asma Atamna,Nataliya Sokolovska,Jean-Claude Crivello 2019 Pré-publication, Document de travail hal-02093451v1
A Principled Approach to Analyze Expressiveness and Accuracy of Graph Neural Networks Asma Atamna,Nataliya Sokolovska,Jean-Claude Crivello 2019 Pré-publication, Document de travail hal-02378826v2
CrystalGAN: Learning to Discover Crystallographic Structures with Generative Adversarial Networks Asma Nouira,Nataliya Sokolovska,Jean-Claude Crivello 2018 Pré-publication, Document de travail hal-01902821v1
Magnetic and structural properties of nanocrystalline PrCo$_3$ K. Younsi,V. Russier,L. Bessais,J. -C. Crivello 2011 Pré-publication, Document de travail hal-00593697v1

Thèse (1)

Contribution à l'étude des propriétés thermodynamiques et électroniques d'hydrures de composés de Haucke substitués Jean-Claude Crivello Matériaux. Université Paris Sud - Paris XI, 2005. Français. ⟨NNT : ⟩ Thèse tel-00010686v1

HDR (1)

Vers une prédiction ab initio de diagramme de phases Jean-Claude Crivello Chimie inorganique. Université Paris Est, 2015 HDR tel-04999782v1