Symmetry-breaking dynamical pattern and localization observed in the equilibrium vibrational spectrum of NaI

Manley, M. E.; Abernathy, D. L.; Agladze, N. I.; Sievers, A. J.

doi:10.1038/srep00004

Cited by 52 publications

(73 citation statements)

References 19 publications

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“…Дискретные бризеры были обнаружены в различных областях, на-пример, в нелинейной оптике [10,11], джозефсоновских сверхпроводящих контактах [12], в антиферромагне-тиках [13]. Относительно недавно было заявлено об экспериментальном доказательстве существования ДБ в биатомном кристалле NaI в состоянии теплового рав-новесия [14,15]. Заметим, что существование ДБ в этом кристалле было предсказано теоретически методом мо-лекулярной динамики [16].…”

Section: Introductionunclassified

About energy localization of nonlinear and linear oscillations of atoms in a model of crystal lattice of A3B stehiometry

Medvedev¹,

Старостенков²,

Zakharov³

et al. 2013

LoM

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Section: Introductionunclassified

About energy localization of nonlinear and linear oscillations of atoms in a model of crystal lattice of A3B stehiometry

Medvedev¹,

Старостенков²,

Zakharov³

et al. 2013

LoM

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“…Therefore, discrete breathers have attracted intense interest in many areas of physics as well as chemistry and biology over the past three decades, see, e.g., the most recent review articles [5][6][7]. Intriguingly, discrete breathers have been experimentally observed in a wide variety of different media such as atomic lattices 8,9 , alkali halides 10,11 , graphite 12 , charge-transfer solids 13 , Josephson junction arrays 14,15 , coupled antiferromagnetic layers [16][17][18][19] , layered high-T c superconductors 20 , micromechanical cantilever arrays [21][22][23] , torsionally coupled pendula 24 , granular crystals 25 , electrical lattices [26][27][28][29][30] , optical waveguides and photonic crystals [31][32][33][34][35] , Bose-Einstein condensation 36 , biopolymers 37,38 , and so on.…”

Section: Introductionmentioning

confidence: 99%

“…However, many numerical results [44][45][46][47][48][49] and experimental results 8,10,11,19 indicate that discrete breathers can be observed in thermal equilibrium. Wherein the experiments Refs.…”

Section: Introductionmentioning

confidence: 99%

“…Therefore, there is an energy threshold to observe a discrete breather. Many experiments have indeed revealed the existence of the energy threshold 8,[10][11][12]14,[16][17][18][19]31,33 . The size-dependent and dimension-dependent energy thresholds of discrete breathers have been analytically obtained in nonlinear Hamiltonian systems [39][40][41][42][43] .…”

Section: Introductionmentioning

confidence: 99%

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Energy thresholds of discrete breathers in thermal equilibrium and relaxation processes

Ling

et al. 2017

Chaos: An Interdisciplinary Journal of Nonlinear Science

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So far, only the energy thresholds of single discrete breathers in nonlinear Hamiltonian systems have been analytically obtained. In this work, the energy thresholds of discrete breathers in thermal equilibrium and the energy thresholds of long-lived discrete breathers which can remain after a long time relaxation are analytically estimated for nonlinear chains. These energy thresholds are size dependent. The energy thresholds of discrete breathers in thermal equilibrium are same as the previous analytical results for single discrete breathers. The energy thresholds of long-lived discrete breathers in relaxation processes are different from the previous results for single discrete breathers but agree well with the published numerical results known to us. Because real systems are either in thermal equilibrium or in relaxation processes, the obtained results could be important for experimental detection of discrete breathers. a) Electronic mail: meanyee@mail.ustc.edu.cn b) Electronic mail: zjding@ustc.edu.cn 1 Discrete breather is an intrinsic spatially localized nonlinear excitation which can be excited in any kind of discrete nonlinear systems. They can be excited both in thermal equilibrium and in relaxation processes. Once the long-lived discrete breathers are formed in the relaxation processes, the energy relaxations are very slow. The energy thresholds of discrete breathers in thermal equilibrium and relaxation processes can be only numerically estimated so far because of the strong interactions between breathers with other excitations, for instance, phonons. They are thus regarded as identical to the previous analytical energy thresholds of single discrete breathers in Hamiltonian systems. In this work, the energy thresholds of discrete breathers in thermal equilibrium and relaxation processes and thus of the slow energy relaxations are analytically estimated. The energy thresholds of discrete breathers in thermal equilibrium are same as the previous results for single discrete breathers. However, the energy thresholds of long-lived discrete breathers in relaxation processes are different from the previous results. Remarkably, they agree well with the published numerical results known to us. Real systems are either in thermal equilibrium or in relaxation processes. Therefore, the obtained energy thresholds, especially the size-dependence of them, are expected to be important for experimental detection of discrete breathers.

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“…These lifetimes are much higher than those anticipated from earlier calculations, and may enable direct breather observation in Raman spectroscopy experiments. [14]. A reliable computational prediction of possible DB excitations in GE, their lifetime and spectral features, will enable their direct experimental observation and facilitate the design of efficient future devices at relatively high temperatures.…”

mentioning

confidence: 99%

Long-lived discrete breathers in free-standing graphene

Fraile

Koukaras²,

Papagelis³

et al. 2016

Chaos, Solitons & Fractals

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Intrinsic localized modes or discrete breathers are investigated by molecular dynamics simulations in free-standing graphene. Discrete breathers are generated either through thermal quenching of the graphene lattice or by proper initialization, with frequencies and lifetimes sensitively depending on the interatomic potential describing the carbon-carbon interaction. In the most realistic scenario, for which temperature-dependent molecular dynamics simulations in three dimension using a graphene-specific interatomic potential are performed, the breather lifetimes increase to hundreds of picoseconds even at relatively high temperatures. These lifetimes are much higher than those anticipated from earlier calculations, and may enable direct breather observation in Raman spectroscopy experiments. [14]. A reliable computational prediction of possible DB excitations in GE, their lifetime and spectral features, will enable their direct experimental observation and facilitate the design of efficient future devices at relatively high temperatures. In the present work we perform extensive molecular dynamics (MD) simulations that reveal the existence of DBs in freestanding GE both at zero temperature in 2D as well as at finite-temperatures in three dimensions (3D). To this end, we resort to Sandia National Laboratories LargeScale Atomistic/ Molecular Massively Parallel Simulator (LAMMPS) [15]. In order to demonstrate the DB onset and stability range we have tested several interatomic potentials (IPs) The functions VR(r) and VA(r) are pair-additive interactions that represent all interatomic repulsions (core-core, etc.) and attraction from valence electrons, respectively. The quantity rij is the distance between pairs of nearest-neighboring atoms i and j and bij is a bond order between atoms i and j. As it would be expected, the stability and lifetimes of DBs in GE is strongly potential-dependent [20][21][22][23]. AIREBO and LCBOP potentials include angular, dihedral (out of plane distortions), as well as long-range terms. The comparison of the results obtained using AIREBO and LCBOP points to a destructive effect of the long-range part of the potentials on the stability of the DBs. This is more evident when LCBOP is compared with the CBOP. The Tersoff'10 potential is a reparametrized version of the original Tersoff'89 IP that provides much better agreement with the experimental phonon velocities and frequencies, without significantly altering the agreement to other structural data. The choice of that potential is based on its performance on particular features regarding the vibrational properties of GE. Along with LCBOP, the Tersoff'10 IP provides the most accurate overall description for its phonon dispersion curves. In particular, the Tersoff'10 IP produces more accurate LA and ZA branches but less accurate ZO and TA branches than LCBOP at temperature T = 300 K. Moreover, it is the only one to produce a linear temperature-dependence of the doubly degenerate Raman active E2g mode of the Γ point [24].

show abstract

Symmetry-breaking dynamical pattern and localization observed in the equilibrium vibrational spectrum of NaI

Cited by 52 publications

References 19 publications

About energy localization of nonlinear and linear oscillations of atoms in a model of crystal lattice of A3B stehiometry

About energy localization of nonlinear and linear oscillations of atoms in a model of crystal lattice of A3B stehiometry

Energy thresholds of discrete breathers in thermal equilibrium and relaxation processes

Long-lived discrete breathers in free-standing graphene

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