An investigation of temperature effect on phonon dispersion spectra of Ni by molecular dynamics simulation

Lattice vibrations have great influences on physical and mechanical properties of materials. In this study, changes of acoustic phonon frequencies of Ni model system with temperature was investigated by Molecular Dynamic (MD) simulation for [100], [110] and [111] high symmetry directions of the Bril...

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Bibliographic Details
Published inTurkish journal of physics Vol. 32; no. 6; pp. 315 - 322
Main Authors KAZANÇ, Sefa, ÖZGEN, Soner
Format Journal Article
LanguageEnglish
Published TÜBİTAK 01.01.2008
Subjects
Atomlar ve Moleküller
Atoms and Molecules
Dinamik matriks
Dynamic matrix
Embedded atom model
Fonon dağılımı
Gömülü atom modeli
Molecular dynamics simulation
Moleküler dinamik simulasyonu
nickel
Nikel
phonon dispersion
Physics of Elementary Particles and Fields
Sıcaklık etkisi
Temel Parçacık ve Alan Fiziği
Temperature effect
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Summary:Lattice vibrations have great influences on physical and mechanical properties of materials. In this study, changes of acoustic phonon frequencies of Ni model system with temperature was investigated by Molecular Dynamic (MD) simulation for [100], [110] and [111] high symmetry directions of the Brillouin zone. To model the interactions between atoms, Sutton-Chen type of Embedded Atom Method (SCEAM) based on many-body interactions were used. The obtained results show that the increase of temperature causes a decrease in longitudinal and transverse acoustic phonon frequencies because of thermal expansion.
Bibliography:TMUH
ISSN:1300-0101