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 simulations of surface and bulk properties of Zn, Cd, and ZnCd systems
Date
2004-02-01
Author
Amirouche, L
Erkoç, Şakir
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
239
views
0
downloads
Cite This
Surface and bulk properties of Zn, Cd, and ZnCd systems have been investigated by performing molecular-dynamics simulations using a recently developed empirical many-body potential energy function for these systems, which comprices two- and three-body atomic interactions. Surface reconstruction and multilayer relaxation on clean surfaces, adatom on surface, substitutional atom on surface and bulk materials, and vacancy on surface and bulk materials have been studied extensively. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Subject Keywords
Electronic, Optical and Magnetic Materials
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/51557
Journal
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
DOI
https://doi.org/10.1002/pssb.200301936
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
Stability analysis of graphene nanoribbons by molecular dynamics simulations
Dugan, N.; Erkoç, Şakir (Wiley, 2008-04-01)
In this work, stability of graphene nanoribbons are investigated using molecular dynamics. Simulations include heating armchair and zigzag-edged nanoribbons of widths varying between one and nine hexagonal rings until the bonds between carbon atoms start to break. Breaking temperatures and binding energies per atom for different widths are presented for both armchair and zigzag-edged cases. A nontrivial relation between stability and width is observed and discussed.
Unified theory of linear instability of anisotropic surfaces and interfaces under capillary, electrostatic, and elastostatic forces: The regrowth of epitaxial amorphous silicon
Ogurtani, Tarik Omer (American Physical Society (APS), 2006-10-01)
The first-order unified linear instability analysis (LISA) of the governing equation for the evolution of surfaces and interfaces under capillary, electromigration (EM), and elastostatic forces is developed. A formal treatment of the thermomigration (Soret effect) driven by the nonuniform temperature distribution caused by exothermic phase transformation (growth) at the surface and interfacial layers is presented and its apparent influence on the capillary force in connection with the stability is also esta...
Phase Identification of La-Doped Hard Magnetic Barium Ferrite Using Artificial Neural Network
Sozeri, Huseyin; KÜÇÜK, İLKER; Ozkan, Husnu (Springer Science and Business Media LLC, 2011-01-01)
A model based on an artificial neural network (ANN) was designed for the simulation and estimation of 2 theta and intensity values obtained by X-Ray Diffraction (XRD) of pure and La-doped barium ferrite powders which have been synthesized in ammonium nitrate melt. Its performance is evaluated by the influences of different La content, sintering temperature, Fe/Ba ratio, and washed in HCl (or not washed in HCl) samples. The XRD patterns of samples estimated by the ANN agree well with the experimental values,...
Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations
KURBAN, MUSTAFA; Erkoç, Şakir (Elsevier BV, 2017-04-01)
Surface and core formation, thermal and electronic properties of ternary cubic CdZnTe clusters are investigated by using classical molecular dynamics (MD) simulations and density functional theory (DFT.) calculations. In this work, MD simulations of the CdZnTe clusters are performed by means of LAMMPS by using bond order potential (BOP). MD simulations are carried out at different temperatures to study the segregation phenomena of Cd, Zn and Te atoms, and deviation of clusters and heat capacity. After that,...
Modeling of Magnetic Properties of Nanocrystalline La-doped Barium Hexaferrite
KÜÇÜK, İLKER; Sozeri, Huseyin; Ozkan, Husnu (Springer Science and Business Media LLC, 2011-05-01)
In this paper an artificial neural network (ANN) has been developed to compute the magnetization of the pure and La-doped barium ferrite powders synthesized in ammonium nitrate melt. The input parameters were: the Fe/Ba ratio, La content, sintering temperature, HCl washing and applied magnetic field. A total of 8284 input data set from currently measured 35 different samples with different Fe/Ba ratios, La contents and washed or not washed in HCl were available. These data were used in the training set for ...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
L. Amirouche and Ş. Erkoç, “Molecular-dynamics simulations of surface and bulk properties of Zn, Cd, and ZnCd systems,”
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
, pp. 292–297, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51557.