Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
MOLECULAR-DYNAMICS SIMULATION OF GALLIUM MICROCLUSTERS
Date
1989-03-01
Author
Katırcıoğlu, Şenay
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
185
views
0
downloads
Cite This
We have investigated the energetics and the structural stability of gallium microclusters including 3–7 atoms. A molecular-dynamics technique is employed in the simulation. The potential energy function used in the calculations includes two- and three-body interactions which are represented by Lennard-Jones and Axilrod-Teller type functions, respectively. It was found that the planar configurations are energetically more favorable for all the clusters studied.
Subject Keywords
Crystallography
,
Materials Science
,
Physics, Applied
URI
https://hdl.handle.net/11511/42265
Journal
JOURNAL OF CRYSTAL GROWTH
DOI
https://doi.org/10.1016/0022-0248(89)90108-5
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
MOLECULAR-DYNAMICS SIMULATION OF GOLD MICROCLUSTERS
ERKOC, S; Katırcıoğlu, Şenay (Elsevier BV, 1988-06-17)
We have investigated the energetics and the structural stability of gold microclusters containing 3–7 atoms. Molecular-dynamics techniques are employed in the simulation. The potential energy function used in the calculations includes two- and three-body interactions which are represented by Lennard-Jones- and Axilrod-Teller-type functions, respectively.
Synthesis of uniformly distributed single- and double-sided zinc oxide (ZnO) nanocombs
Yıldırım, Özlem Altıntaş; Liu, Yuzi; Petford-Long, Amanda K. (Elsevier BV, 2015-11-15)
Uniformly distributed single- and double-sided zinc oxide (ZnO) nanocomb structures have been prepared by a vapor-liquid-solid technique from a mixture of ZnO nanoparticles and graphene nanoplatelets. The ZnO seed nanoparticles were synthesized via a simple precipitation method. The structure of the ZnO nanocombs could easily be controlled by tuning the carrier-gas flow rate during growth. Higher flow rate resulted in the formation of uniformly-distributed single-sided comb structures with nanonail-shaped t...
Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids
Erkoç, Şakir; Vural, DC (World Scientific Pub Co Pte Lt, 2001-06-01)
The structural stability of carbon nanocages, fullerens and toroids, have been investigated by performing molecular-dynamics computer simulations. The systems considered are C-120 and C-240 in ball and toroidal structures. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that C-120 ball is very unstable, and the other structures are relatively more strong against heat treatment.
Electronic structure of carbon nanotubes: AM1-RHF calculations
Erkoç, Şakir; Turker, L (Elsevier BV, 1999-07-01)
We have investigated the electronic structure of optimized open-ended single-wall carbon nanotubes with armchair and zigzag geometries. The calculations were performed using AM1-RHF semiempirical molecular orbital method. It has been found that the density of states of the zigzag model is more sensitive to the tube size than that of the armchair model.
Molecular-dynamics simulations of uranium microclusters
Erkoç, Şakir; Bastug, T; Hirata, M; Tachimori, S (Physical Society of Japan, 1999-02-01)
Structural stability and energetics of uranium microclusters, U-n (n = 3-13, 27-137), have been investigated by molecular-dynamics simulations. An empirical model potential energy function has been parameterised for the uranium element by using the dimer interaction potential energy profile of U-2, which is calculated by relativistic density functional method. Stable structures of the microclusters for n = 3-13 have been determined by molecular-dynamics simulation. It has been found that uranium microcluste...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
Ş. Katırcıoğlu, “MOLECULAR-DYNAMICS SIMULATION OF GALLIUM MICROCLUSTERS,”
JOURNAL OF CRYSTAL GROWTH
, pp. 807–809, 1989, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/42265.