In this work, using the molecular dynamics method, we analyze the behavior of the intermetallic compound under external harmonic driving on the surface. Special attention is paid to the study of high-amplitude excitations, which lead to the rapid destruction of the crystal structure near the surface. The Pt3Al stoichiometric compound is investigated using the interaction potentials obtained by the embedded atom method. The mechanism of layer destruction near the crystal surface is revealed, and the role of nonlinear localized modes in this process is shown. The possibility of the formation of solitary waves in a wide range of ac driving frequency and amplitude is considered. The obtained dependencies allow one to conclude that discrete breathers can contribute considerably to the energy accumulation process in the vicinity of the surface whereas further energy transfer to the bulk part of the crystal can be realized via propagation of solitary waves.
REFERENCES
1.
G. P.
Cherepanov
, “The mechanics and physics of fracturing: application to thermal aspects of crack propagation and to fracking
,” Phil. Trans. R. Soc. A
373
, 20140119
(2015
).2.
H.
Haftbaradaran
and J.
Qu
, “A path-independent integral for fracture of solids under combined electrochemical and mechanical loadings
,” J. Mech. Phys. Solids
71
, 1
–14
(2014
).3.
J. Y.
Shu
and N. A.
Fleck
, “Strain gradient crystal plasticity: size-dependent deformation of bicrystals
”, J. Mech. Phys. Solids
47
, 297
–324
(1999
).4.
E. C.
Aifantis
, “Gradient Deformation Models at Nano, Micro, and Macro Scales
,” J. Eng. Mater. Technol.
211
, 189
–202
(1999
).5.
F.
Geniet
and J.
Leon
, “Nonlinear Supratransmission
,” J. Phys. Condens. Matter
15
, 2933
(2003
).6.
R.
Khomeriki
, “Nonlinear band gap transmission in optical waveguide arrays
,” Phys. Rev. Lett.
92
, 063905
(2004
).7.
J. E.
Macías-Díaz
and A.
Puri
, “An application of nonlinear supratransmission to the propagation of binary signals in weakly damped, mechanical systems of coupled oscillators
,” Phys. Lett. A
366
, 447
(2007
).8.
B. Q.
Ai
, D.
He
, and B.
Hu
, “Heat conduction in driven Frenkel-Kontorova lattices: Thermal pumping and resonance
,” Phys. Rev. E
81
, 031124
(2010
).9.
I.
Evazzade
, I. P.
Lobzenko
, E. A.
Korznikova
, I. A.
Ovid'Ko
, M. R.
Roknabadi
, and S. V.
Dmitriev
, “Energy transfer in strained graphene assisted by discrete breathers excited by external ac driving
,” Phys. Rev. B
95
, 035423
(2017
).10.
A. V.
Savin
, E. A.
Korznikova
, and S. V.
Dmitriev
, “Dynamics of surface graphene ripplocations on a flat graphite substrate
,” Phys. Rev. B
99
, 235411
(2019
).11.
S.
Flach
and C. R.
Willis
, “Discrete breathers
,” Phys. Rep.
295
, 181
(1998
).12.
S.
Flach
and A. V.
Gorbach
, “Discrete breathers — Advances in theory and applications
,” Phys. Rep.
67
, 1
(2008
).13.
M.
Singh
, A. Y.
Morkina
, E. A.
Korznikova
, V. I.
Dubinko
, D. A.
Terentiev
, D.
Xiong
, O. B.
Naimark
, V. A.
Gani
, and S. V.
Dmitriev
, J. “Effect of Discrete Breathers on the Specific Heat of a Nonlinear Chain
,” Nonlinear Sci.
31
, 12
(2021
).14.
C.
Huang
, Y. Y.
Mitarai
, and H.
Harada
, “The stabilization of Pt3Al phase with L12 structure in Pt–Al–Ir–Nb and Pt–Al–Nb alloys
,” J. Alloy Compd.
366
, 217
–221
(2004
).15.
C. H.
Liebscher
and U.
Glatzel
, “Configuration of superdislocations in the γ′-Pt3Al phase of a Pt-based superalloy
,” Intermetallics
48
, 71
–78
(2014
).16.
Y.
Pan
, “Insight into the mechanical properties and fracture behavior of Pt3Al coating by experiment and theoretical simulation
,” J. Mater. Eng. Perform.
30,
2661
–2668
(2021
).17.
A. I.
Cherednichenko
, P. V.
Zakharov
, M. D.
Starostenkov
, M. O.
Sysoeva
, and A. M.
Eremin
, “Nonlinear supratransmission in a Pt3Al crystal at intense external influence
,” Comput. Res. Model.
11
, 109
(2019
).18.
H.-Y.
Chen
and N.-T.
Tsou
, “The analysis of thermal-induced phase transformation and microstructural evolution in ni-ti based shape memory alloys by molecular dynamics
,” Computer Modeling in Engineering & Sciences
120
, 319
–332
(2019
).19.
L.K.
Rysaeva
, D.V.
Bachurin
, R.T.
Murzaev
, D.U.
Abdullina
, E.A.
Korznikova
, R.R.
Mulyukov
, and S.V.
Dmitriev
, “Evolution of the carbon nanotube bundle structure under biaxial and shear strains
,” Facta Universitatis, Series: Mechanical Engineering
18
, 525
–536
(2020
).20.
A.V.
Savin
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Improving bending rigidity of graphene nanoribbons by twisting
,” Mechanics of Materials
137
, 103123
(2019
).21.
W.-J.
Lee
, Y.-C.
Lo
, A.
Yang
, K.
Chen
, and N.-Y.
Chen
, “Thickness effect of nanocrystalline layer on the deformation mechanism of amorphous/crystalline multilayered structure
,” Computer Modeling in Engineering & Sciences
120
, 293
–304
(2019
).22.
A.S.
Bhui
, G.
Singh
, S.S.
Sidhu
, and P.S.
Bains
, “Experimental investigation of optimal ED machining parameters for Ti-6Al-4V biomaterial
,” Facta Universitatis, Series: Mechanical Engineering
16
, 337
–345
(2018
).23.
I.
Evazzade
, I.
Lobzenko
, O.
Golubev
, and E.
Korznikova
, “Two-phase tension of a carbon nanotube
,” Journal of Micromechanics and Molecular Physics
5
, 2050001
(2020
).24.
R.I.
Babicheva
, M.
Dahanayaka
, B.
Liu
, E.A.
Korznikova
, S.V.
Dmitriev
, M.S.
Wu
, and K.
Zhou
, “Characterization of two carbon allotropes, cyclicgraphene and graphenylene, as semi-permeable materials for membrane
,” Materials Science and Engineering B: Solid-State Materials for Advanced Technology
259
, 114569
(2020
).25.
A.P.
Chetverikov
, I.A.
Shepelev
, E.A.
Korznikova
, A.A.
Kistanov
, S.V.
Dmitriev
, and M.G.
Velarde
, “Breathing subsonic crowdion in Morse lattices
,” Computational Condensed Matter
13
, 59
–64
(2017
).26.
I.A.
Shepelev
, S.V.
Dmitriev
, A.A.
Kudreyko
, M.G.
Velarde
, and E.A.
Korznikova
, “Supersonic voidions in 2D Morse lattice
” Chaos, Solitons & Fractals
140
, 110217
(2020
).27.
E.A.
Korznikova
, D.V.
Bachurin
, S.Y.
Fomin
, A.P.
Chetverikov
, and S.V.
Dmitriev
, “Instability of vibrational modes in hexagonal lattice
,” European Physical Journal B
90
, 70595
, (2017
).28.
E.
Barani
, E.A.
Korznikova
, A.P.
Chetverikov
, K.
Zhou
, and S.V.
Dmitriev
, “Gap discrete breathers in strained boron nitride
,” Physics Letters, Section A: General, Atomic and Solid State Physics
381
, 3553
–3557
(2017
).29.
D.U.
Abdullina
, M.N.
Semenova
, A.S.
Semenov
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Stability of delocalized nonlinear vibrational modes in graphene lattice
,” European Physical Journal B
92
, 100436
(2019
).30.
R.T.
Murzaev
, D.V.
Bachurin
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Localized vibrational modes in diamond
,” Physics Letters, Section A: General, Atomic and Solid State Physics
381
, 1003
–1008
(2017
).31.
E.A.
Korznikova
, A.Y.
Morkina
, M.
Singh
, A.M.
Krivtsov
, V.A.
Kuzkin
, V.A.
Gani
, Y.V.
Bebikhov
, and S.V.
Dmitriev
, “Effect of discrete breathers on macroscopic properties of the Fermi-Pasta-Ulam chain
,” European Physical Journal B
93
, 10173
(2020
).32.
P.V.
Zakharov
, E.A.
Korznikova
, S.V.
Dmitriev
, E.G.
Ekomasov
, and K.
Zhou
, “Surface discrete breathers in Pt3Al intermetallic alloy
,” Surface Science
679
, 1
–5
(2019
).33.
A. Moradi
Marjaneh
, D.
Saadatmand
, I.
Evazzade
, R.I.
Babicheva
, E.G.
Soboleva
, N.
Srikanth
, K.
Zhou
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Mass transfer in the Frenkel-Kontorova chain initiated by molecule impact
,” Physical Review E
98
, 023003
(2018
).34.
R.I.
Babicheva
, I.
Evazzade
, E.A.
Korznikova
, I.A.
Shepelev
, K.
Zhou
, and S.V.
Dmitriev
, “Low-energy channel for mass transfer in Pt crystal initiated by molecule impact
,” Computational Materials Science
163
, 248
–255
(2019
).35.
T.
Yoon
, S.
Kang
, T. Yeob
Kang
, and T.-S.
Kim
, “Detection of graphene cracks by electromagnetic induction, insensitive to doping level
,” Computer Modeling in Engineering & Sciences
120
, 351
–361
(2019
).36.
X. W.
Zhou
, R. A.
Johnson
, and H. N. G.
Wadley
, “Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers
,” Phys. Rev. B
69
, 144113
(2004
).37.
LAMMPS Molecular Dynamics Simulator [Electronic resource]: http://lammps.sandia.gov/
38.
A.
Stukowski
, “Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
,” Mater. Sci. Eng.
18
, 015012
(2010
).39.
P. V.
Zakharov
, M. D.
Starostenkov
, E. A.
Korznikova
, A. M.
Eremin
, I. S.
Lutsenko
, and S. V.
Dmitriev
, “Excitation of soliton-type waves in crystals of the A3B stoichiometry
,” Phys. Solid State
61
, 2160
(2019
).40.
P. V.
Zakharov
, S. V.
Dmitriev
, and E. A.
Korznikova
, “Molecular dynamic analysis of energy transport in a Pt3Al crystal under the impact in the spectrum gap frequency
,” Lett. Mater.
11
, 338
–344
(2021
).41.
P.
Hamm
, M.
Meuwly
, S.L.
Johnson
, P.
Beaud
, and U.
Staub
, “Perspective: THz-driven nuclear dynamics from solids to molecules
,” Structural Dynamics
4
, 061601
(2017
).42.
D.
Nicoletti
and A.
Cavalleri
, “Nonlinear light–matter interaction at terahertz frequencies
,” Advances in Optics and Photonics
, 8
, 401
–464
(2016
).43.
E.A.
Korznikova
, S.Y.
Mironov
, A.V.
Korznikov
, A.P.
Zhilyaev
, and T.G.
Langdon
, “Microstructural evolution and electro-resistivity in HPT nickel
,” Materials Science and Engineering A
556
, 437
–445
(2012
).44.
G.
Korznikova
, A.
Korneva
, E.
Korznikova
, “Application of combined load for obtaining ultra-fine grained structure in magnetic alloys of the Fe-Cr-Co system
,” Reports in Mechanical Engineering
1
, 1
–9
(2020
).
This content is only available via PDF.
© 2022 Author(s).
2022
Author(s)
You do not currently have access to this content.
