Hard-type anharmonicity gap discrete breather in 2D biatomic crystal

A. S. Semenov, S. Yu Fomin, K. Zhou, E. G. Soboleva

Результат исследований: Материалы для журналаСтатья

Выдержка

Spatially localized nonlinear oscillations in the form of a discrete breather (DB) is a recently discovered phenomenon widely investigated in different physical systems due to its potential impact on the structure and dynamics of those systems. Our molecular dynamics research is focused on the variety of DB in crystals. Depending on the type of the crystal and corresponding phonon spectrum one can get a gap DB or a DB with the frequency above the phonon spectrum. Most of gap DBs previously addressed in the literature were characterized by a soft nonlinearity type with frequencies splitting off from the upper edge of the phonon spectrum gap. In this work we managed to excite a hard nonlinearity type DB with a frequency within the band gap. In order to achieve this goal we have excited four types of delocalized vibrational modes in biatomic crystal with atomic mass difference m1/m2 = 10 providing the existence of sufficiently wide phonon band gap. Analysis of amplitude-frequency dependences of two of those modes obtained in molecular dynamics simulations revealed the hard nonlinearity type with the frequency within the spectrum. The fourth mode with moving heavy atoms had the frequency within the band gap growing with the amplitude. Application of localization function with radial symmetry to this delocalized vibrational mode allowed us to obtain a DB with hard nonlinearity type in the band gap within the considered model of the crystal. Properties of the DB were analyzed.

Язык оригиналаАнглийский
Страницы (с-по)327-331
Число страниц5
ЖурналLetters on Materials
Том7
Номер выпуска3
DOI
СостояниеОпубликовано - 1 сен 2017

Отпечаток

Energy gap
Crystals
Molecular dynamics
Atoms
Computer simulation

ASJC Scopus subject areas

  • Materials Science(all)

Цитировать

Hard-type anharmonicity gap discrete breather in 2D biatomic crystal. / Semenov, A. S.; Fomin, S. Yu; Zhou, K.; Soboleva, E. G.

В: Letters on Materials, Том 7, № 3, 01.09.2017, стр. 327-331.

Результат исследований: Материалы для журналаСтатья

Semenov, A. S. ; Fomin, S. Yu ; Zhou, K. ; Soboleva, E. G. / Hard-type anharmonicity gap discrete breather in 2D biatomic crystal. В: Letters on Materials. 2017 ; Том 7, № 3. стр. 327-331.
@article{991dd8aeca6247c389be8b8ebeb990d8,
title = "Hard-type anharmonicity gap discrete breather in 2D biatomic crystal",
abstract = "Spatially localized nonlinear oscillations in the form of a discrete breather (DB) is a recently discovered phenomenon widely investigated in different physical systems due to its potential impact on the structure and dynamics of those systems. Our molecular dynamics research is focused on the variety of DB in crystals. Depending on the type of the crystal and corresponding phonon spectrum one can get a gap DB or a DB with the frequency above the phonon spectrum. Most of gap DBs previously addressed in the literature were characterized by a soft nonlinearity type with frequencies splitting off from the upper edge of the phonon spectrum gap. In this work we managed to excite a hard nonlinearity type DB with a frequency within the band gap. In order to achieve this goal we have excited four types of delocalized vibrational modes in biatomic crystal with atomic mass difference m1/m2 = 10 providing the existence of sufficiently wide phonon band gap. Analysis of amplitude-frequency dependences of two of those modes obtained in molecular dynamics simulations revealed the hard nonlinearity type with the frequency within the spectrum. The fourth mode with moving heavy atoms had the frequency within the band gap growing with the amplitude. Application of localization function with radial symmetry to this delocalized vibrational mode allowed us to obtain a DB with hard nonlinearity type in the band gap within the considered model of the crystal. Properties of the DB were analyzed.",
keywords = "2D lattice, Discrete breather, Nonlinear dynamics, Phonon band",
author = "Semenov, {A. S.} and Fomin, {S. Yu} and K. Zhou and Soboleva, {E. G.}",
year = "2017",
month = "9",
day = "1",
doi = "10.22226/2410-3535-2017-3-327-331",
language = "English",
volume = "7",
pages = "327--331",
journal = "Letters on Materials",
issn = "2218-5046",
publisher = "Institute for Metals Superplasticity Problems of Russian Academy of Sciences",
number = "3",

}

TY - JOUR

T1 - Hard-type anharmonicity gap discrete breather in 2D biatomic crystal

AU - Semenov, A. S.

AU - Fomin, S. Yu

AU - Zhou, K.

AU - Soboleva, E. G.

PY - 2017/9/1

Y1 - 2017/9/1

N2 - Spatially localized nonlinear oscillations in the form of a discrete breather (DB) is a recently discovered phenomenon widely investigated in different physical systems due to its potential impact on the structure and dynamics of those systems. Our molecular dynamics research is focused on the variety of DB in crystals. Depending on the type of the crystal and corresponding phonon spectrum one can get a gap DB or a DB with the frequency above the phonon spectrum. Most of gap DBs previously addressed in the literature were characterized by a soft nonlinearity type with frequencies splitting off from the upper edge of the phonon spectrum gap. In this work we managed to excite a hard nonlinearity type DB with a frequency within the band gap. In order to achieve this goal we have excited four types of delocalized vibrational modes in biatomic crystal with atomic mass difference m1/m2 = 10 providing the existence of sufficiently wide phonon band gap. Analysis of amplitude-frequency dependences of two of those modes obtained in molecular dynamics simulations revealed the hard nonlinearity type with the frequency within the spectrum. The fourth mode with moving heavy atoms had the frequency within the band gap growing with the amplitude. Application of localization function with radial symmetry to this delocalized vibrational mode allowed us to obtain a DB with hard nonlinearity type in the band gap within the considered model of the crystal. Properties of the DB were analyzed.

AB - Spatially localized nonlinear oscillations in the form of a discrete breather (DB) is a recently discovered phenomenon widely investigated in different physical systems due to its potential impact on the structure and dynamics of those systems. Our molecular dynamics research is focused on the variety of DB in crystals. Depending on the type of the crystal and corresponding phonon spectrum one can get a gap DB or a DB with the frequency above the phonon spectrum. Most of gap DBs previously addressed in the literature were characterized by a soft nonlinearity type with frequencies splitting off from the upper edge of the phonon spectrum gap. In this work we managed to excite a hard nonlinearity type DB with a frequency within the band gap. In order to achieve this goal we have excited four types of delocalized vibrational modes in biatomic crystal with atomic mass difference m1/m2 = 10 providing the existence of sufficiently wide phonon band gap. Analysis of amplitude-frequency dependences of two of those modes obtained in molecular dynamics simulations revealed the hard nonlinearity type with the frequency within the spectrum. The fourth mode with moving heavy atoms had the frequency within the band gap growing with the amplitude. Application of localization function with radial symmetry to this delocalized vibrational mode allowed us to obtain a DB with hard nonlinearity type in the band gap within the considered model of the crystal. Properties of the DB were analyzed.

KW - 2D lattice

KW - Discrete breather

KW - Nonlinear dynamics

KW - Phonon band

UR - http://www.scopus.com/inward/record.url?scp=85029377333&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85029377333&partnerID=8YFLogxK

U2 - 10.22226/2410-3535-2017-3-327-331

DO - 10.22226/2410-3535-2017-3-327-331

M3 - Article

AN - SCOPUS:85029377333

VL - 7

SP - 327

EP - 331

JO - Letters on Materials

JF - Letters on Materials

SN - 2218-5046

IS - 3

ER -