Structural stability and energetics of P,S, and C microsructures.

Date

1990

Author

Tahtomoni, Yahia

Metadata

Show full item record

Item Usage Stats

128
views

0
downloads

URI

https://hdl.handle.net/11511/3611

Collections

Graduate School of Natural and Applied Sciences, Thesis

Suggestions

OpenMETU
Core

STRUCTURAL STABILITY AND ENERGETICS OF THE PHOSPHORUS MICROCLUSTERS P-2 TO P-10 - AN MNDO CALCULATION YILMAZ, H (1992-05-25) The geometries of the low-lying isomers of phosphorus P2 to P10 were calculated using the semiempirical modified neglect of diatomic overlap method. It was found that, in those cases (P2 and P4) where spectroscopic data are available, the bond strengths are overestimated. The binding energies were found to be underestimated in those cases (P2, P3 and P4) where thermodynamically derived values for the gas phase are available. A roof-shaped tetramer is a prominent structural unit in low-lying states of P5, P6...
Structural Investigations of LnBO(3) (Ln= Y, La, Nd, Sm, Eu, Gd, Dy, Ho, Er,Yb, Lu) by Rietveld Method. Seyyidoglu, Semih; Hoffmann, Katrin; Albert, Barbara; Yılmaz, Ayşen (2009-01-01)
Structural characterization of polycrystalline Ag-In-Se thin films deposited by e-beam technique Colakoglu, T.; Parlak, Mehmet (Elsevier BV, 2008-01-15) The Ag-In-Se thin films were deposited by e-beam evaporation of the Ag3In5Se9 single crystal powder under high vacuum without intentional doping. Energy dispersive X-ray analysis (EDXA) showed the decreasing behavior of Se and Ag in the structure depending on the annealing. X-ray diffraction (XRD) analysis showed that as-grown films have amorphous structure while annealing the films under nitrogen environment at 200 degrees C transformed from the amorphous to polycrystalline structure. The crystallinity of ...
Structural stability and energetics of single-walled carbon nanotubes under uniaxial strain Dereli, G; Ozdogan, C (American Physical Society (APS), 2003-01-15) A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon nanotube is able to carry the strain up to 122% of the relaxed tube length in elongation and up to 93% for compression. Young's modulus, tensile strength, and the Poisson ratio are calculated and the values found are 0.311 TPa, 4.92 GPa, and 0.287, respectively. The stress-stra...
Structural features and energetics of ZnkCdl microclusters Amirouche, Lynda; Erkoç, Şakir (World Scientific Pub Co Pte Lt, 2003-09-01) An empirical many-body potential energy function has been developed to investigate the structural features and energetics of ZnkCdl (k + 1 = 3, 4) microclusters. The most stable structures were found to be triangular for the three-atom clusters and tetrahedral for the four-atom clusters. The present results are in good agreement with available literature values.

Citation Formats

Y. Tahtomoni, “Structural stability and energetics of P,S, and C microsructures.,” Middle East Technical University, 1990.