Jean-Claude Crivello

109
Documents
Affiliations actuelles
  • Institut de Chimie et des Matériaux Paris-Est (ICMPE)
  • Laboratory for Innovative Key Materials and Structures (LINK)

Publications

Publications

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Prediction and characterization of chemically complex σ − phase intermetallics with graph neural network

Wenhao Zhang , Mariano Forti , Runan Xie , Céline Barreteau , Taichi Abe et al.

Acta Materialia, 2025, 300, pp.121427. ⟨10.1016/j.actamat.2025.121427⟩

Article dans une revue hal-05262526v1
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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
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A Theoretical Study of the Bonding Properties of R4Sb3 Compounds

Vincent Pelletier , Hugo Bouteiller , Bruno Fontaine , David Berthebaud , Jean-Claude Crivello et al.

Solid State Sciences, 2025, 164, pp.107936. ⟨10.1016/j.solidstatesciences.2025.107936⟩

Article dans une revue hal-05119666v1
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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
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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
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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 Gondek et al.

Journal of Alloys and Compounds, 2024, 982, pp.173767. ⟨10.1016/j.jallcom.2024.173767⟩

Article dans une revue hal-04563665v1
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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
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Thermodynamic modeling of the Mo–Pt system based on the NACEF approach

J.M. Fiorani , M. Siblani , J. -M. Joubert , C. Barreteau , J.-C. Crivello et al.

Calphad, 2024, 84, pp.102665. ⟨10.1016/j.calphad.2024.102665⟩

Article dans une revue hal-04687349v1
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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 Greneche et al.

Journal of Materials Chemistry C, 2024, ⟨10.1039/D4TC02267J⟩

Article dans une revue hal-04728488v1
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High spin polarization in the disordered quaternary Heusler alloy FeMnVGa

Shuvankar Gupta , Sudip Chakraborty , Vidha Bhasin , Santanu Pakhira , Shovan Dan et al.

Physical Review B, 2023, 108 (4), pp.045137. ⟨10.1103/PhysRevB.108.045137⟩

Article dans une revue hal-04181900v1
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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 Biswas et al.

Physical Review B, 2023, 108 (5), pp.054405. ⟨10.1103/PhysRevB.108.054405⟩

Article dans une revue hal-04182141v1
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SrCuP and SrCuSb Zintl phases as potential thermoelectric materials

A. Moll , A. Hamidou , J.-C. Crivello , J.-M. Joubert , E. Alleno et al.

Journal of Alloys and Compounds, 2023, 942, pp.169123. ⟨10.1016/j.jallcom.2023.169123⟩

Article dans une revue hal-03974626v1
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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
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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
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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
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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 Provost et al.

Journal of Alloys and Compounds, 2023, 939, pp.168682. ⟨10.1016/j.jallcom.2022.168682⟩

Article dans une revue hal-04252334v1
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CoMnCrGa: a novel ferromagnetic material with high spin-polarization for room temperature spintronics

Shuvankar Gupta , Sudip Chakraborty , Vidha Bhasin , Santanu Pakhira , Shovan Dan et al.

Journal of Materials Chemistry C, 2023, 11 (44), pp.15489-15499. ⟨10.1039/d3tc02813e⟩

Article dans une revue hal-04313220v1
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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
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Honeycomb Constructs in the La–Ni Intermetallics: Controlling Dimensionality via p -Element Substitution

Vitalii Shtender , Volodymyr Smetana , Jean-Claude Crivello , Łukasz Gondek , Janusz Przewoźnik et al.

Inorganic Chemistry, 2023, 62 (37), pp.14843-14851. ⟨10.1021/acs.inorgchem.3c00502⟩

Article dans une revue hal-04294532v1
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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 Silva et al.

Calphad, 2023, 80, pp.102522. ⟨10.1016/j.calphad.2022.102522⟩

Article dans une revue hal-04246773v1
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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 Barreteau et al.

Physical Review B, 2023, 108 (24), pp.245151. ⟨10.1103/PhysRevB.108.245151⟩

Article dans une revue hal-04375113v1
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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 Zehl et al.

Acta Materialia, 2023, 259, pp.119277. ⟨10.1016/j.actamat.2023.119277⟩

Article dans une revue hal-04246769v1
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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 Crivello et al.

Inorganic Chemistry, 2023, 62 (39), pp.16013-16020. ⟨10.1021/acs.inorgchem.3c02117⟩

Article dans une revue hal-04228615v1
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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 Crivello et 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 Crivello et al.

Physical Review B, 2022, 106 (11), pp.115148. ⟨10.1103/PhysRevB.106.115148⟩

Article dans une revue hal-03812754v1
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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
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Influence of self-substitution on the thermoelectric Fe2VAl Heusler alloy

A. Diack-Rasselio , O. Rouleau , L. Coulomb , L. Georgeton , M. Beaudhuin et al.

Journal of Alloys and Compounds, 2022, 920, pp.166037. ⟨10.1016/j.jallcom.2022.166037⟩

Article dans une revue hal-03752661v1
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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. Diop et al.

Journal of Physics: Condensed Matter, 2020, 32 (41), pp.415804. ⟨10.1088/1361-648X/ab9d4c⟩

Article dans une revue hal-02919132v1
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Reduced phase space of heat-carrying acoustic phonons in single-crystalline InTe

Shantanu Misra , Céline Barreteau , Jean-Claude Crivello , Valentina Giordano , John-Paul Castellan et al.

Physical Review Research, 2020, 2 (4), pp.043371. ⟨10.1103/physrevresearch.2.043371⟩

Article dans une revue hal-03093472v1
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Materials for hydrogen-based energy storage – past, recent progress and future

Michael Hirscher , Volodymyr Yartys , Marcello Baricco , Jose Bellosta von Colbe , Didier Blanchard et al.

Journal of Alloys and Compounds, 2020, 827, pp.153548. ⟨10.1016/j.jallcom.2019.153548⟩

Article dans une revue hal-02517149v1
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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

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<sub>2</sub>Ni and Mg<sub>2</sub>Cu Alloys

Tohru Nobuki , Yuki Okuzumi , Minoru Hatate , Jean-Claude Crivello , Fermin Cuevas et al.

Materials Transactions, 2019, 60 (3), pp.441-449. ⟨10.2320/matertrans.M2018293⟩

Article dans une revue hal-02050004v1

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
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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
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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
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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
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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
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TiVZrNb Multi-Principal-Element Alloy: Synthesis Optimization, Structural, and Hydrogen Sorption Properties

Jorge Montero , Claudia Livia Zlotea , Gustav Ek , Jean-Claude Crivello , Laetitia Laversenne et al.

Molecules, 2019, 24 (15), pp.2799. ⟨10.3390/molecules24152799⟩

Article dans une revue hal-02310747v1

Magnesium based materials for hydrogen based energy storage: Past, present and future

V.A. Yartys , M.V. Lototskyy , E. Akiba , R. Albert , E. Antonov et 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

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. Zelinska et al.

Journal of Alloys and Compounds, 2018, 737, pp.613-622. ⟨10.1016/j.jallcom.2017.12.008⟩

Article dans une revue hal-02332297v1

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

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

Synthesis of TiFe Hydrogen Absorbing Alloys Prepared by Mechanical Alloying and SPS Treatment

Tohru Nobuki , Taro Moriya , Minoru Hatate , Jean-Claude Crivello , Fermin Cuevas et al.

Metals, 2018, 8 (4), pp.264-275

Article dans une revue hal-02055814v1
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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
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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
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Electronic structure, low-temperature transport and thermodynamic properties of polymorphic β-As<sub>2</sub>Te<sub>3</sub>

Jean-Baptiste Vaney , Jean-Claude Crivello , Cédric Morin , Gaëlle Delaizir , Julie Carreaud et 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. Joubert et al.

Acta Materialia, 2016, 121, pp.126 - 136. ⟨10.1016/j.actamat.2016.08.080⟩

Article dans une revue hal-01786101v1
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Polymorphism in Thermoelectric As<sub>2</sub>Te<sub>3</sub>

Cédric Morin , Serena Corallini , Julie Carreaud , Jean-Baptiste Vaney , Gaëlle Delaizir et al.

Inorganic Chemistry, 2015, 54 (20), pp.9936. ⟨10.1021/acs.inorgchem.5b01676⟩

Article dans une revue hal-01219302v1
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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

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
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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 <mml:math altimg="si0059.gif" overflow="scroll" xmlns:xocs="http://www.elsevier.com/xml/xocs/dtd" xmlns:xs="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.elsevier.com/xml/ja/dtd" xmlns:ja="http://www.elsevier.com/xml/ja/dtd" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:tb="http://www.elsevier.com/xml/common/table/dtd" xmlns:sb="http://www.elsevier.com/xml/common/struct-bib/dtd" xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:cals="http://www.elsevier.com/xml/common/cals/dtd" xmlns:sa="http://www.elsevier.com/xml/common/struct-aff/dtd"><mml:msub><mml:mrow><mml:mi>PrCo</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>Fe</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:math> by neutron powder diffraction and electronic structure investigations

K. Younsi , R. Bez , J.-C. Crivello , V. Paul-Boncour , K. Zehani et 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. Zehani et 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-Guterl et al.

Nanoscale, 2015, 7 (37), pp.15469-15476. ⟨10.1039/c5nr03143e⟩

Article dans une revue hal-02465149v1
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Thermodynamic Modeling of the Ni–H System

Natacha Bourgeois , Jean-Claude Crivello , Arkapol Saengdeejing , Ying Chen , Pierre Cenedese et 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 Crivello et 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

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 Porcher et al.

Journal of Physics: Condensed Matter, 2013, 25 (11), pp.116001. ⟨10.1088/0953-8984/25/11/116001⟩

Article dans une revue hal-04235316v1

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. Breidi et 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

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

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 Joubert et 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
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Handling uncertainties in the development of tight-binding potentials : application to zirconium hydride

Alessandra del Masto , Céline Varenne , Jean Baccou , G. Tréglia , Fabienne Ribeiro et 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
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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 Brachet et 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 Chiriac et al.

European Congress and Exhibition on Advanced Materials and Processes, EUROMAT 2021, Sep 2021, Graz, Austria

Communication dans un congrès hal-04752755v1

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

W–Ni–Co ternary system thermodynamic description at intermediate temperatures

Nicolas Bouliez , Jean-Claude Crivello , Bruno Gardiola , Rodica Chiriac , Francois Toche et al.

EuroPM 2020, Oct 2020, Lisbonne, Portugal

Communication dans un congrès hal-04752733v1

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
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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. Dupin et 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. Yaqoob et 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 , Lotfi Bessais , V. Russier , J.C. Crivello

MATERIAUX 2010, Nov 2010, Mahdia, Tunisia

Communication dans un congrès hal-04525628v1

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

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

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 Ribeiro et al.

Plasticité 2022, Apr 2022, Toulouse, France.

Poster de conférence irsn-03959232v1

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

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 Quaini et 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