Energetic and Structural Characterization of B2-A2 order-disorder phase Transformation in Fe0.5(Al1-nXn)0.5 Intermetallics

2011-10-05

Suggestions

Energetics and structural properties of carbon and oxygen doped hexagonal boron nitride sheets
Kökten, Hatice (Elsevier BV, 2011-10-01)
Energetics and structural properties of carbon and oxygen doped hexagonal boron nitride sheets have been investigated by performing density functional theory calculations. Substitutional doping model has been considered in the neutral charge state. C and O atoms replaced either B or N site in the system as impurities. A systematic study has been performed to see the effect of cell size on the calculated quantities, such as formation energy, relaxation energy, charge and bond length. It has been found that s...
Energetics and structural stability of lanthanum microclusters
Erkoç, Şakir; Bastug, T; Hirata, M; Tachimori, S (1999-12-03)
The energetics and the structural stability of lanthanum microclusters (La-n) have been investigated by performing relativistic density functional calculations and molecular dynamics (MD) simulations. An empirical potential energy function has been parameterised for a lanthanum element by using the dimer interaction potential energy profile of La-2, which is calculated by relativistic density functional method. Stable structures of the microclusters for n = 3-13 have been determined by MD simulation and ele...
Energetics of arsenic terminated GaAs(001) surfaces
Erkoç, Şakir; Kokten, H (2000-09-01)
We have investigated systematically the energetics of arsenic terminated GaAs(001) surfaces, Available surface models proposed in the literature have been considered, and relaxation and surface energies of each model have been calculated using an empirical many-body potential energy function comprising two and three-body atomic interactions.
Kinetic analysis of DSC and thermogravimetric data on combustion of lignite
Kök, Mustafa Verşan (Springer Science and Business Media LLC, 1996-06-01)
Thermal analysis increasingly being used to obtain kinetic data relating to sample decomposition. This work involves a comparative study of several methods used to analyse DSC and TG/DTG data obtained on the oxidation of Beypazari lignite. A general computer program was developed and the methods are compared with regard to their accuracy and the ease of interpretation of the kinetics of thermal decomposition. For this study, the ratio method was regarded as the preferred method, because it permits the estim...
Kinetic investigation of chemical vapor deposition of B4C on tungsten substrate
Karaman, Mustafa; Sezgi, Naime Aslı; Doğu, Timur; Ozbelge, H. Onder (2006-12-01)
Production of beta-rhombohedral boron carbide (B4C) on a tungsten substrate by the chemical vapor deposition from a BCl3-H-2-CH4 gas mixture was achieved. An impinging-jet reactor was used to minimize the mass-transfer limitations on the reaction kinetics, which made a detailed kinetic investigation possible. Results of the XRD and XPS analyses showed that the solid product formed on the substrate is a rhombohedral B4C phase. Both dichloroborane and boron carbide formation rates were found to increase with ...
Citation Formats
M. Yıldırım, A. Mehrabov, and M. V. Akdeniz, “Energetic and Structural Characterization of B2-A2 order-disorder phase Transformation in Fe0.5(Al1-nXn)0.5 Intermetallics,” 2011, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/84677.