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Thermal conductivity calculation in anisotropic crystals by molecular dynamics: Application to alpha-Fe2O3,
Jonathan Severin
,
Philippe Jund
Article dans une revue
hal-01471909v1
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Calphad assessment of the Ni-Sn-Ti system
Alexandre Berche
,
Jean-Claude Tédenac
,
Iu Fartushna
,
Philippe Jund
Article dans une revue
hal-01333853v1
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Thermoelectric power factor of pure and doped ZnSb via DFT based defect calculations
Alexandre Berche
,
Philippe Jund
Article dans une revue
hal-02332597v1
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Thermodynamic description of the Cr-Mn-Si system
Alexandre Berche
,
Jean Claude Tedenac
,
Philippe Jund
Article dans une revue
hal-01407450v1
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Sodium diffusion through amorphous silica surfaces: A molecular dynamics study
Michael Rarivomanantsoa
,
Philippe Jund
,
Remi Jullien
Article dans une revue
hal-00122365v1
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Lattice stability and formation energies of intrinsic defects in Mg2Si and Mg2Ge via first principles simulations
Philippe Jund
,
Romain Viennois
,
Catherine Colinet
,
Gilles Hug
,
Mathieu Fèvre
,
et al.
Article dans une revue
hal-00765234v1
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Classical molecular dynamics simulations of amorphous silica surfaces
M. Rarivomanantsoa
,
P. Jund
,
R. Jullien
Journal of Physics: Condensed Matter, 2001, 13, pp.6707-6718
Article dans une revue
hal-00122364v1
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Thermal dependence of the mechanical properties of NiTiSn using first-principles calculations and high-pressure X-ray diffraction
P. Hermet
,
J. Haines
,
D. Granier
,
M. Tillard
,
P. Jund
Article dans une revue
hal-02444588v1
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Density of States Effective Mass for p-Type Mg 2 Si–Mg 2 Sn Solid Solutions: Comparison between Experiments and First-Principles Calculations
Johannes de Boor
,
Alexandre Berche
,
Philippe Jund
Article dans une revue
hal-02913002v1
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De l'importance des modes optiques de basse energie dans les materiaux thermoelectriques
Romain Rv Viennois
,
Philippe Jund
,
Jean-Claude Tedenac
,
Didier Ravot
,
M.M. Koza
,
et al.
Materiaux 2010, Oct 2010, Nantes, France
Communication dans un congrès
hal-00527953v1
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Phase stability and physical properties of Ta5Si3 compounds from first-principles calculations
Xiaoma Tao
,
Philippe Jund
,
Catherine Colinet
,
Jean-Claude Tedenac
Article dans une revue
hal-00446364v1
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Defect and phase stability of solid solutions of Mg2X with an antifluorite structure: An ab initio study
Romain Viennois
,
Philippe Jund
,
Catherine Colinet
,
Jean-Claude Tedenac
Article dans une revue
istex
hal-00731039v1
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Thermodynamic modeling of the germanium-manganese system
Alexandre Berche
,
Jean-Claude Tedenac
,
Philippe Jund
Article dans une revue
hal-00926737v1
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Lattice thermal conductivity of NiTiSn half-Heusler thermoelectric materials from first-principles calculations
Patrick Hermet
,
Philippe Jund
Article dans une revue
hal-01345968v1
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Characterization of the channel diffusion in a sodium tetrasilicate glass via molecular-dynamics simulations
Emmanuel Sunyer
,
Philippe Jund
,
Remi Jullien
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2002, 65, pp.214203
Article dans une revue
hal-00122042v1
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Influence of Antisite Defects on the Thermoelectric Properties of Fe2VAl
Subrahmanyam Bandaru
,
Ankita Katre
,
Jesús Carrete
,
Natalio Mingo
,
Philippe Jund
Article dans une revue
hal-01634290v1
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Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects
Alexandre Berche
,
Philippe Jund
Article dans une revue
hal-01798875v1
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Phase stability of ternary antifluorite type compounds in the quasi-binary systems Mg2X-Mg2Y (X,Y=Si, Ge, Sn) via ab-initio calculations.
Romain Viennois
,
Catherine Colinet
,
Philippe Jund
,
Jean-Claude Tedenac
Article dans une revue
istex
hal-00734433v1
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Interest of the differential thermal analysis on the characterization of a thermoelectric material: ZnSb
Romain Pothin
,
Rose-Marie Ayral
,
Alexandre Berche
,
Florence Rouessac
,
Philippe Jund
Article dans une revue
hal-01227761v1
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Electronic structure of the Heusler compound Fe2VAl and its point defects by ab initio calculations
Subrahmanyam Bandaru
,
Philippe Jund
Article dans une revue
hal-01486659v1
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A first-principles investigation of the thermodynamic and mechanical properties of Ni-Ti-Sn Heusler and half-Heusler materials
Patrick Hermet
,
Kinga Niedziolka
,
Philippe Jund
Article dans une revue
hal-00871094v1
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Influence of the cooling-rate on the glass transition temperature and the structural properties of glassy GeS2: an ab initio molecular dynamics study
Sebastien Le Roux
,
Philippe Jund
Article dans une revue
hal-00181403v1
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Ab initio molecular dynamics study of GeS2: from the crystal to the glass
Sebastien Le Roux
,
Philippe Jund
Article dans une revue
hal-00182291v1
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Calculated vibrational and electronic properties of various sodium thiogermanate glasses
Philippe Jund
,
Sebastien Blaineau
Article dans une revue
hal-00381600v1
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Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations
X. Tao
,
Hongmei Chen
,
Xiaofeng Tong
,
Yifang Ouyang
,
Philippe Jund
,
et al.
Article dans une revue
istex
hal-00634870v1
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Matrix controlled channel diffusion of sodium in amorphous silica
E. Sunyer
,
P. Jund
,
R. Jullien
Journal of Physics: Condensed Matter, 2003, 15, pp.L431-L437
Article dans une revue
hal-00122041v1
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Stability and Thermoelectric Properties of Transition-Metal Silicides
Romain Viennois
,
X. Tao
,
Philippe Jund
,
Jean-Claude Tedenac
Article dans une revue
hal-00610014v1
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Structural properties of various sodium thiogermanate glasses through DFT-based molecular dynamics simulations
Sebastien Blaineau
,
Philippe Jund
Article dans une revue
hal-00583914v1
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Ab initio description of the different phases in the Al-Fe-V system: Structure, magnetism and thermodynamics
Alexandre Berche
,
Philippe Jund
Article dans une revue
hal-01735275v1
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Ab initio calculations and CALPHAD description of Cr-Ge-Mn and Cr-Ge-Si
Alexandre Berche
,
Jean-Claude Tedenac
,
Philippe Jund
Article dans une revue
hal-01138627v1
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