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Träfflista för sökning "WFRF:(Karimi O.) srt2:(2005-2009)"

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1.	Alling, Björn, 1980-, et al. (author) Mixing and decomposition thermodynamics of c-Ti1-xAlxN from first-principles calculations 2007 In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 75:045123 Journal article (peer-reviewed)abstract Wedescribe an efficient first-principles method that can be used tocalculate mixing enthalpies of transition metal nitrides with B1 structureand substitutional disorder at the metal sublattice. The technique isbased on the density functional theory. The independent sublattice modelis suggested for the treatment of disorder-induced local lattice relaxationeffects. It supplements the description of the substitutional disorder withinthe coherent potential approximation. We demonstrate the excellent accuracy ofthe method by comparison with calculations performed by means ofthe projector augumented wave method on supercells constructed as specialquasirandom structures. At the same time, the efficiency of thetechnique allows for total energy calculations on a very finemesh of concentrations which enables a reliable calculation of thesecond concentration derivative of the alloy total energy. This isa first step towards first-principles predictions of concentrations and temperatureintervals where the alloy decomposition proceeds via the spinodal mechanism.We thus calculate electronic structure, lattice parameter, and mixing enthalpiesof the quasibinary alloy c-Ti1−xAlxN. The lattice parameter follows Vegard'slaw at low fractions of AlN but deviates increasingly withincreasing Al content. We show that the asymmetry of themixing enthalpy and its second concentration derivative is associated withsubstantial variations of the electronic structure with alloy composition. Thephase diagram is constructed within the mean-field approximation.
2.	Hashemi, J, et al. (author) Molecular characterization of acquired resistance to picropodophyllin (PPP) 2009 In: CANCER RESEARCH. - 0008-5472. ; 69 Conference paper (other academic/artistic)
3.	Stenvinkel, P, et al. (author) Impact of inflammation on epigenetic DNA methylation - a novel risk factor for cardiovascular disease? 2007 In: Journal of internal medicine. - : Wiley. - 0954-6820 .- 1365-2796. ; 261:5, s. 488-499 Journal article (peer-reviewed)

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Type of publication: journal article (2); conference paper (1)

Type of content: peer-reviewed (2); other academic/artistic (1)

Author/Editor: Karimi, M (2); Larsson, O (1); Ruban, Andrei V. (1); Alvestrand, A (1); Stenvinkel, P (1); Abrikosov, Igor, 196 ... (1); show more...; Simak, Sergey, 1967- (1); Alling, Björn, 1980- (1); Hultman, Lars, 1960- (1); Larsson, C (1); Johansson, S (1); Lindholm, B (1); Qureshi, AR (1); Weng, WH (1); Girnita, L (1); Axelson, M (1); Lui, WO (1); Axelsson, J (1); Heimburger, O (1); Barany, P (1); Hashemi, J (1); Schalling, M (1); Suliman, M (1); Karimi, A (1); Peil, O. E. (1); Ekstrom, TJ (1); Nordfors, L (1); Vasilcanu, D (1); Rudduck, C (1); show less...

University: Karolinska Institutet (2); Royal Institute of Technology (1); Uppsala University (1); Linköping University (1)

Language: English (3)

Research subject (UKÄ/SCB): Natural sciences (1)

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