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Results: 1-25/33
Authors:
PETIT T
LEMAIGNAN C
JOLLET F
BIGOT B
PASTUREL A
Citation: T. Petit et al., POINT-DEFECTS IN URANIUM-DIOXIDE, Philosophical magazine. B. Physics of condensed matter.Statistical mechanics, electronic, optical and magnetic, 77(3), 1998, pp. 779-786
Authors:
JOMARD G
MAGAUD L
PASTUREL A
Citation: G. Jomard et al., FULL-POTENTIAL CALCULATIONS USING THE GENERALIZED-GRADIENT CORRECTIONS - STRUCTURAL-PROPERTIES OF TI, ZR AND HF UNDER COMPRESSION, Philosophical magazine. B. Physics of condensed matter.Statistical mechanics, electronic, optical and magnetic, 77(1), 1998, pp. 67-74
Authors:
LEBACQ O
PASTUREL A
MANH DN
FINEL A
CAUDRON R
Citation: O. Lebacq et al., ELECTRONIC-STRUCTURE, COHESIVE PROPERTIES AND PHASE-STABILITY IN NI3V, PD3V, AND PT3V COMPOUNDS, Journal of alloys and compounds, 264(1-2), 1998, pp. 31-37
Authors:
MAGAUD L
PASTUREL A
KRESSE G
HAFNER J
Citation: L. Magaud et al., AB-INITIO CALCULATIONS OF THE STRUCTURAL-PROPERTIES OF THE YSI2 (0001) SURFACE, Physical review. B, Condensed matter, 58(16), 1998, pp. 10857-10859
Authors:
TOURNIER S
VINET B
PASTUREL A
ANSARA I
DESRE PJ
Citation: S. Tournier et al., UNDERCOOLING-INDUCED METASTABLE A-15 PHASE IN THE RE-W SYSTEM FROM DROP-TUBE PROCESSING, Physical review. B, Condensed matter, 57(6), 1998, pp. 3340-3344
Authors:
JOLLET F
PETIT T
GOTA S
THROMAT N
GAUTIERSOYER M
PASTUREL A
Citation: F. Jollet et al., THE ELECTRONIC-STRUCTURE OF URANIUM-DIOXIDE - AN OXYGEN K-EDGE X-RAY-ABSORPTION STUDY, Journal of physics. Condensed matter, 9(43), 1997, pp. 9393-9401
Authors:
COLINET C
PASTUREL A
BUSCHOW KHJ
Citation: C. Colinet et al., ENTHALPIES OF FORMATION OF TI-CU INTERMETALLIC AND AMORPHOUS PHASES, Journal of alloys and compounds, 247, 1997, pp. 15-19
Authors:
SANDRE E
PASTUREL A
Citation: E. Sandre et A. Pasturel, AN INTRODUCTION TO AB-INITIO MOLECULAR-DYNAMICS SCHEMES, Molecular simulation, 20(1-2), 1997, pp. 63-77
Authors:
DOPHUONG L
MANH DN
PASTUREL A
Citation: L. Dophuong et al., THE STRUCTURAL AND ELECTRONIC-PROPERTIES OF LIQUID ALUMINUM-TRANSITION METAL-ALLOYS, Molecular simulation, 20(1-2), 1997, pp. 79-94
Authors:
COLINET C
PASTUREL A
MANH DN
PETTIFOR DG
MIODOWNIK P
Citation: C. Colinet et al., PHASE-STABILITY STUDY OF THE AL-NB SYSTEM, Physical review. B, Condensed matter, 56(2), 1997, pp. 552-565
Authors:
MAGAUD L
PASTUREL A
KRESSE G
HAFNER J
Citation: L. Magaud et al., ROLE OF SILICON VACANCIES IN YTTRIUM-DISILICIDE COMPOUNDS FROM AB-INITIO CALCULATIONS, Physical review. B, Condensed matter, 55(20), 1997, pp. 13479-13484
Authors:
PETIT T
MOREL B
LEMAIGNAN C
PASTUREL A
BIGOT B
Citation: T. Petit et al., COHESIVE PROPERTIES OF UO2, Philosophical magazine. B. Physics of condensed matter. Statistical mechanics, electronic, optical and magnetic, 73(6), 1996, pp. 893-904
Authors:
NGUYENMANH D
PETTIFOR DG
SHAO G
MIODOWNIK AP
PASTUREL A
Citation: D. Nguyenmanh et al., METASTABILITY OF THE OMEGA-PHASE IN TRANSITION-METAL ALUMINIDES - FIRST-PRINCIPLES STRUCTURAL PREDICTIONS, Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties, 74(6), 1996, pp. 1385-1397
AB-INITIO THEORY OF SURFACE SEGREGATION - SELF-CONSISTENT DETERMINATION OF THE CONCENTRATION PROFILE
Authors:
DRCHAL V
KUDRNOVSKY J
PASTUREL A
TUREK I
WEINBERGER P
Citation: V. Drchal et al., AB-INITIO THEORY OF SURFACE SEGREGATION - SELF-CONSISTENT DETERMINATION OF THE CONCENTRATION PROFILE, Physical review. B, Condensed matter, 54(11), 1996, pp. 8202-8212
Authors:
LEBACQ O
PASTUREL A
MANH DN
FINEL A
CAUDRON R
BARRACHIN M
Citation: O. Lebacq et al., AB-INITIO ANALYSIS OF STRUCTURAL STABILITY IN THE COMPOUND NI3V, Physical review. B, Condensed matter, 53(10), 1996, pp. 6203-6208
Authors:
CABET E
PASTUREL A
DUCASTELLE F
LOISEAU A
Citation: E. Cabet et al., L1(2)-DO22 COMPETITION IN THE PSEUDOBINARY (PT, RH)(3)V,PT-3(V, TI), AND (PD, RH)(3)V ALLOYS - PHASE-STABILITY AND ELECTRONIC-STRUCTURE, Physical review letters, 76(17), 1996, pp. 3140-3143
Authors:
JAKSE N
WAX JF
BRETONNET JL
PASTUREL A
Citation: N. Jakse et al., STRUCTURE AND THERMODYNAMICS OF THE 3D-TRANSITION METALS IN THE LIQUID-STATE, Journal of non-crystalline solids, 207, 1996, pp. 434-437
Authors:
MANH DN
PAXTON AT
PETTIFOR DG
PASTUREL A
Citation: Dn. Manh et al., ON THE PHASE-STABILITY OF TRANSITION-METAL TRIALUMINIDE COMPOUNDS, Intermetallics, 3(1), 1995, pp. 9-14
Authors:
BRATKOVSKY AM
SMIRNOV AV
MANH DN
PASTUREL A
Citation: Am. Bratkovsky et al., TOPOLOGICAL DISORDER AS AN ORIGIN OF A MAGNETIC-MOMENT ON MN IN AL-MNALLOYS, Physical review. B, Condensed matter, 52(5), 1995, pp. 3056-3059
Authors:
PASTUREL A
COLINET C
MANH DN
PAXTON AT
VANSCHILFGAARDE M
Citation: A. Pasturel et al., ELECTRONIC-STRUCTURE AND PHASE-STABILITY STUDY IN THE NI-TI SYSTEM, Physical review. B, Condensed matter, 52(21), 1995, pp. 15176-15190
Authors:
TETOT R
KUDRNOVSKY J
PASTUREL A
DRCHAL V
WEINBERGER P
Citation: R. Tetot et al., PHASE-DIAGRAM OF THE CU-PD SURFACE ALLOY - A FIRST-PRINCIPLES CALCULATION, Physical review. B, Condensed matter, 51(24), 1995, pp. 17910-17915
Authors:
UDVARDI L
SZUNYOGH L
REDINGER J
WEINBERGER P
PASTUREL A
Citation: L. Udvardi et al., ORDER-DISORDER PHASE-TRANSITIONS IN YBA2CU3O6- THE ASYMMETRIC NEXT-NEAREST-NEIGHBOR INTERACTION-MODEL REVISED FROM A 1ST-PRINCIPLES POINT-OF-VIEW(2C ), Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(4), 1994, pp. 683-696
Authors:
COLINET C
EYMERY J
PASTUREL A
PAXTON AT
VANSCHILFGAARDE M
Citation: C. Colinet et al., A FIRST-PRINCIPLES PHASE-STABILITY STUDY ON THE AU-NI SYSTEM, Journal of physics. Condensed matter, 6(6), 1994, pp. 47-52
Authors:
DOPHUONG L
MANH DN
PASTUREL A
Citation: L. Dophuong et al., MOLECULAR-DYNAMICS OF TOPOLOGICAL AND CHEMICAL ORDERS IN LIQUID AL(1-X)MN(X) ALLOYS, Journal of physics. Condensed matter, 6(15), 1994, pp. 2853-2860
Authors:
MANH DN
PASTUREL A
PAXTON AT
VANSCHILFGAARDE M
Citation: Dn. Manh et al., ELECTRONIC-STRUCTURE AND STABILITY OF THE TRANSITION-METAL OXIDE NI2TI4O, Journal of physics. Condensed matter, 6(15), 1994, pp. 2861-2868