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

Highly symmetric discrete breather in a two-dimensional Morse crystal

“…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].…”

“…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.…”

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

“…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〉.…”

“…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.…”

“…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.…”