Search Results - "VEPREK, S"

Stability and strength of transition-metal tetraborides and triborides by Zhang, R F, Legut, D, Lin, Z J, Zhao, Y S, Mao, H K, Veprek, S

“…Using density functional theory, we show that the long-believed transition-metal tetraborides (TB(4)) of tungsten and molybdenum are in fact triborides…”
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Phase stabilities of self-organized nc-TiN/a-Si3N4 nanocomposites and of Ti1-xSixNy solid solutions studied by ab initio calculation and thermodynamic modeling by ZHANG, R. F, VEPREK, S

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Friedel oscillations are limiting the strength of superhard nanocomposites and heterostructures by Zhang, R F, Argon, A S, Veprek, S

“…To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of…”
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First-principles molecular dynamics study of the thermal stability of the BN, AlN, SiC and SiN interfacial layers in TiN-based heterostructures: Comparison with experiments by Ivashchenko, V.I., Vepřek, S.

“…We conducted first-principles molecular dynamics calculations of the stability and possible transformations of heterostructures consisting of…”
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Mechanical strength and electronic instabilities in ultra-incompressible platinum dinitrides by Zhang, R. F., Legut, D., Fu, Z. H., Veprek, S., Zhang, Q. F., Mao, H. K.

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Limits to the preparation of superhard nanocomposites: Impurities, deposition and annealing temperature by Veprek, S., Veprek-Heijman, M.G.J.

“…Impurities, in particularly oxygen, degrade the mechanical properties of superhard nc-TiN/a-Si3N4 nanocomposites. In the present paper we show that relatively…”
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Metastable phases and spinodal decomposition in Ti1-xAlxN system studied by ab initio and thermodynamic modeling, a comparison with the TiN-Si3N4 system by ZHANG, R. F, VEPREK, S

“…The total energies and lattice constants of binary hcp- and fcc-TiN, AlN and ternary Ti0.5Al0.5N phases are calculated by ab initio method using the Vienna ab…”
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Phase stabilities and spinodal decomposition in the Cr1-xAlxN system studied by ab initio LDA and thermodynamic modeling : Comparison with the Ti1-xAlxN and TiN/Si3N4 systems by ZHANG, R. F, VEPREK, S

“…The total energies and lattice constants of binary hexagonal close-packed (hcp)- and face-centered cubic (fcc)-CrN, AlN and ternary Cr0.5Al0.5N phases are…”
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On the spinodal nature of the phase segregation and formation of stable nanostructure in the Ti–Si–N system by Zhang, R.F., Veprek, S.

“…The free energy of the mixed Ti–Si–N system is calculated according to a semi-empirical thermodynamic formula based on the sub-lattice model for different…”
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Superhard nanocomposites: Origin of hardness enhancement, properties and applications by Veprek, S., Zhang, R.F., Veprek-Heijman, M.G.J., Sheng, S.H., Argon, A.S.

“…The original finding of Veprek et al. that in nc-TiN/a-Si 3N 4 and in nc-TiN/a-Si 3N 4/TiSi 2 nanocomposites, deposited under conditions which allow complete…”
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Crystal Field Splitting is Limiting the Stability and Strength of Ultra-incompressible Orthorhombic Transition Metal Tetraborides by Zhang, R. F., Wen, X. D., Legut, D., Fu, Z. H., Veprek, S., Zurek, E., Mao, H. K.

“…The lattice stability and mechanical strengths of the supposedly superhard transition metal tetraborides (TmB 4 , Tm = Cr, Mn and Fe) evoked recently much…”
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Phase stabilities and decomposition mechanism in the Zr–Si–N system studied by combined ab initio DFT and thermodynamic calculation by Sheng, S.H., Zhang, R.F., Veprek, S.

“…The total energy, lattice constant, bulk modulus and its first derivative of stable binary face-centered cubic (fcc)-ZrN, hexagonal close-packed (hcp)(β)-Si 3N…”
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First-principles quantum molecular calculations of structural and mechanical properties of TiN/SiNx heterostructures, and the achievable hardness of the nc-TiN/SiNx nanocomposites by Ivashchenko, V.I., Veprek, S., Argon, A.S., Turchi, P.E.A., Gorb, L., Hill, F., Leszczynski, J.

“…TiN/SiNx heterostructures with one monolayer of the interfacial SiNx have been investigated in the framework of first-principles molecular dynamics…”
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High-rate deposition of AlTiN and related coatings with dense morphology by central cylindrical direct current magnetron sputtering by Jílek, M., Jílek, M., Mendez Martin, F., Mayrhofer, P.H., Veprek, S.

“…An industrial coating equipment, routinely used for the deposition of wear protection coatings on tools by means of vacuum arc evaporation with rotating…”
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First-principles study of TiN/SiC/TiN interfaces in superhard nanocomposites by Ivashchenko, V. I., Veprek, S., Turchi, P. E. A., Shevchenko, V. I.

“…Heterostructures with one monolayer of interfacial SiC inserted between several B1(NaCl)-TiN (001) and (111) slabs are investigated in the temperature range of…”
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Phase stabilities and thermal decomposition in the Zr1-XAlXN system studied by ab initio calculation and thermodynamic modeling by SHENG, S. H, ZHANG, R. F, VEPREK, S

“…The ab initio density functional theory is used to calculate the lattice constants, total energy and bulk modulus of binary hexagonal close packed (hcp) and…”
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Avoiding the high-temperature decomposition and softening of (Al1-xTix)N coatings by the formation of stable superhard nc-(Al1-xTix)N/a-Si3N4 nanocomposite by VEPREK, S, MÄNNLING, H.-D, JILEK, M, HOLUBAR, P

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Study of spinodal decomposition and formation of nc-Al2O3/ZrO2 nanocomposites by combined ab initio density functional theory and thermodynamic modeling by Sheng, S.H., Zhang, R.F., Veprek, S.

“…Using ab initio density functional theory, the equilibrium properties, such as the total energy, the molar volume, the bulk modulus and its first derivative,…”
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Mechanical properties and hardness of boron and boron-rich solids by Veprek, S., Zhang, R. F., Argon, A. S.

“…A brief review of the recent studies of the crystal and electronic structure and its stability under large strain-shear and tensile deformation of selected…”
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On the anisotropic shear resistance of hard transition metal nitrides TMN ( TM = Ti ,   Zr ,   Hf ) by Zhang, R. F., Sheng, S. H., Veprek, S.

“…The anisotropic shear moduli and strengths of hard fcc-TMN ( TM = Ti ,   Zr ,   Hf ) have been calculated by ab initio density functional theory in order to…”
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