Temperature dependence of the isothermal bulk modulus of TiB2

Ozkan, H.
The temperature dependencies of the isothermal bulk modulus of TiB2 above room temperature were calculated by using the equation for the Anderson- Gruneisen parameter (delta(T)) and its solution by Garai and Laugier (J. Appl. Phys. 101, 023514 (2007)). The present calculations utilize the relevant experimental data for the pressure derivative of the isothermal bulk modulus, K' as delta(T) in addition to the volume thermal expansion coefficients (alpha(V)). The temperature derivatives of the isothermal bulk modulus of TiB2 obtained in 300-900 K. using the latest published thermal expansion coefficients are, 0.012-0.013 GPa/K. in good agreement with the corresponding experimental values. The results verify the present approach as a practical way to predict the bulk moduli of materials at high temperatures.


Hydrogen generation from hydrolysis of sodium borohydride using Ru(0) nanoclusters as catalyst
Özkar, Saim (Elsevier BV, 2005-12-08)
Sodium borohydride is stable in aqueous alkaline solution, however, it hydrolyses in water to hydrogen gas in the presence of suitable catalyst. By this way hydrogen can be generated safely for the fuel cells. Generating H-2 catalytically from NaBH4 solutions has many advantages: NaBH4 solutions are nonflammable, reaction products are environmentally benign, rate of H-2 generation is easily controlled, the reaction product NaBO2 can be recycled, H-2 can be generated even at low temperatures. All of the cata...
Lattice dynamical and thermo-elastic properties of M2AlB (M = V, Nb, Ta) MAX phase borides
Surucu, Gokhan; Gencer, Ayşenur; Wang, Xiaotian; Surucu, Ozge (Elsevier BV, 2020-04-05)
The structural, electronic, dynamic, and thermo-elastic properties of M2AlB (X = V, Nb, Ta) MAX phase borides were investigated using first principle calculations as implemented in the Vienna Ab-initio Simulation Package (VASP) with the generalized gradient approximation (GGA). The obtained structural properties and formation energies showed the thermodynamic stability and synthesizability of M2AlB. The electronic band structures were determined and they revealed that these compounds had a metallic characte...
Acoustic phonons scattering mobility and carrier effective mass in In6S7 crystals
Qasrawi, A. F.; Hasanlı, Nızamı (Elsevier BV, 2006-12-21)
Systematic dark electrical resistivity and Hall coefficient measurements have been carried out in the temperature range of 170-320 K on n-type In6S7 crystals. The analysis of the electrical resistivity and carrier concentration reveals the intrinsic type of conduction with an average energy band gap of similar to 0.75 eV The carrier effective masses of the conduction and valence bands were calculated from the intrinsic temperature-dependent carrier concentration data and were found to be 0.565m(0) and 2.020...
Size dependent stability and surface energy of amorphous FePt nanoalloy
Akdeniz, Mahmut Vedat; Mehrabov, Amdulla (Elsevier BV, 2019-06-05)
The effects of particle size (2-6 nm) and temperature (300-2700 K) on the stability and local structural evolutions of amorphous equiatomic FePt bulk/nanoalloys have been investigated by combining Embedded Atom Model (EAM) with classical molecular dynamics (MD) simulation method. The three dimensional (3D) atomic configuration of amorphous FePt NPs by means of Voronoi analysis reveals that, deformed bcc (d-bcc) and icosahedron (d-ico) type structures are most probable local atomic configurations for 2-6 nm ...
The electronic band structures of InNxAs1-x, InNxSb1-x and InAsxSb1-x, alloys
Mohammad, Rezek; Katırcıoğlu, Şenay (Elsevier BV, 2009-02-05)
The band cap bowings of InNxAs1-x, InNxSb1-x, and InAsxSb1-x alloys defined by the optimized lattice constants are investigated using empirical tight binding (ETB) method. The present ETB energy parameters which take the nearest neighbor interactions into account with sp(3)d(2) basis are determined to be sufficient to provide a typical feature for the band gap bowings of the alloys. The band gap bowing parameter is found to be relatively large in both InNxAs1-x and InNxSb1-x compared to InAsxSb1-x alloys. M...
Citation Formats
H. Ozkan, “Temperature dependence of the isothermal bulk modulus of TiB2,” INTERMETALLICS, pp. 596–598, 2011, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/63765.