Energy Localization in the Ordered Condensed Systems: A 3 B Alloys With L12 Superstructure

Medvedev, N. N.; Старостенков, М. Д.; Потекаев, А. И.; Zakharov, Pavel; Markidonov, A. V.; Eremin, A. M.

doi:10.1007/s11182-014-0251-5

Cited by 20 publications

(13 citation statements)

References 23 publications

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“…We considered the value α = 5, for which the equilibrium interatomic distance is a = 0.98813 at the potential cutoff radius of 5.5a. We note that the Morse potential was often used for the simulation of different properties of discrete breathers in crystals [23][24][25][26][27][28][29][40][41][42][43][44][45][46].…”

Section: Nonlinear Phenomenamentioning

confidence: 99%

“…In the last decade, discrete breathers in different crystals were studied in numerous works, including experimental investigations [4][5][6][7][8][9][10][11] and theoretical studies performed using ab initio approaches [12][13][14] and the molecular dynamics method . In particular, discrete breathers were studied in model crystals [15,16], in alkali-halide crystals [8,[17][18][19], in pure metals [7,[20][21][22], in ordered alloys [23][24][25][26][27][28][29], in covalent germanium and silicon crystals [30], and in carbon and hydrocarbon nanomaterials [12][13][14][31][32][33][34][35][36][37]. The further search for possible types of discrete breathers in different crystals is a topical and interesting problem, the solution of which will make it possible to answer the question about the role of the discrete breathers in the formation of the physical and mechanical properties of crystals.…”

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confidence: 99%

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Highly symmetric discrete breather in a two-dimensional Morse crystal

et al. 2016

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It has been shown recently that a moving discrete breathers localized in one close-packed atomic row can be excited in a two-dimensional monoatomic crystal with Morse interaction. In this work, a motionless discrete breathers having the threefold symmetry axis has been excited in the same crystal. The initial conditions for the excitation of such discrete breathers are set by the superposition of a bell-shaped function on a planar nonlinear phonon mode with the wave vector lying at the edge of the Brillouin zone. In addition, the displacement of the centers of atomic oscillations from the center of the discrete breathers owing to the asymmetry of the Morse potential is taken into account. The results obtained make it possible to approach the search for highly symmetric discrete breathers in three-dimensional crystals.

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Section: Nonlinear Phenomenamentioning

confidence: 99%

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confidence: 99%

Highly symmetric discrete breather in a two-dimensional Morse crystal

et al. 2016

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“…The excitation and existence conditions of DB1 breathers are considered in detail in [25][26][27][28][29][30][31][32]. In the present study, a DB1 breathers are excited at the center of a nanofiber, i.e., at the maximum distance from the surface of the crystal, by displacing an Al atom by 0.72 Å along the direction 〈100〉.…”

Section: Simulation Of the Interaction Between Discrete Breathers Of mentioning

confidence: 99%

“…The frequency of soft type DBs decreases as their amplitude increases (these DBs can exist only in crystals that have a gap in the phonon spectrum; their frequency lies in the gap of the phonon spectrum; therefore, these DBs are called gap DBs), whereas hard type DBs exhibit the converse behavior (the fre quencies of these DBs may lie both in and above the gap of the phonon spectrum). DBs with soft type non linearity can be excited in biatomic crystals, for exam ple, in NaCl [11,13], Pt 3 Al [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32], as well as in graphene and graphane [33][34][35]. Breathers with hard type nonlinearity exist in pure metals with FCC, BCC, and HCP structures.…”

Section: Introductionmentioning

confidence: 99%

“…Investigations related to DBs have recently reached a higher level. The results of many recent works show that DBs exist in almost all crystals [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32]. There is every reason to believe that DBs find application as a means to explain various physical phenomena in crystals.…”

Section: Introductionmentioning

confidence: 99%

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Simulation of the interaction between discrete breathers of various types in a Pt3Al crystal nanofiber

Zakharov

Старостенков

Medvedev

et al. 2015

J. Exp. Theor. Phys.

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It is known that, in a molecular dynamics model of Pt 3 Al crystal, a discrete breather (DB) with soft type nonlinearity (DB1) can be excited, which is characterized by a high degree of localization on a light atom (Al), stationarity, as well as a frequency that lies in the gap of the phonon spectrum and decreases with increasing amplitude of the DB. In this paper, it is demonstrated that a DB with hard type nonlinearity (DB2) can be excited in a Pt 3 Al nanofiber; this DB is localized on several light atoms, can move along the crystal, and has a frequency that lies above the phonon spectrum and increases with the DB amplitude. It is notewor thy that the presence of free surfaces of a nanofiber does not prevent the existence of DB1 and DB2 in it. Col lisions of two DBs counterpropagating with equal velocities, as well as a collision of DB2 with a standing DB1, are considered. Two colliding DBs with hard type nonlinearity are repelled almost elastically, losing only insignificant part of their energy during the interaction. DB2 is also reflected from a standing DB1; in this case, the energy of the breathers is partially scattered into the Al sublattice. The results obtained indicate that DBs can transfer energy along a crystal over large distances. During the collision of two or more DBs, the energy localized in space can be as high as a few electron volts; this allows one to raise the question of the participation of DBs in structural transformations of the crystal.

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